Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

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          ***      W W W - X R A Y P O L       ***
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ARGESITE

1

[NH(4)](7)Bi(3)Cl(16)


Hexagonal  R 3(-)c  Z = 18

R =0.0345          NR =1289

3 .12 .12

Ref.Str.:

         Demartin F., Campostrini I., Castellano C., Gramaccioli C.M. (2012)

         * Amer. Mineral., 97, 1446-1451

         R: from La Fossa Crater, Vulcano, Aeolian Islands, Italy.

         See U(ij) in theoriginal.  N.A.D.

                   Initial data from BDM-file 

   Lattice parameters (cub. angs.,degr.):

             a =  13.093    alpha =   90.0 
             b =  13.093    beta  =   90.0 
             c = 102.682    gamma =  120.0 

    Unit cell volume (cub. angs.) = 15244.15

    Molar volume ( cub.cm/mol.) =   510.12

  Co-ordinates, thermal parameters, occupation for atomic positions:

NoP   x/a     y/b     z/c    B(j)   atom  / occupation

   1 0.667   0.6663  0.0615   0.0    Bi    = 1.00
   2 0.3333  0.6667  0.0017   0.0    Bi    = 1.00
   3 0.3333  0.6667  0.1667   0.0    Bi    = 1.00
   4 0.4242  0.5372  0.0618   0.0    Cl    = 1.00
   5 0.9092  0.7794  0.0617   0.0    Cl    = 1.00
   6 0.6668  0.5082  0.045    0.0    Cl    = 1.00
   7 0.6671  0.7939  0.0422   0.0    Cl    = 0.78, Br    = 0.22
   8 0.6667  0.5173  0.0833   0.0    Cl    = 1.00
   9 0.6667  0.8103  0.0833   0.0    Cl    = 0.69, Br    = 0.31
  10 0.3724  0.5173  0.0154   0.0    Cl    = 0.67, Br    = 0.33
  11 0.3408  0.8364  0.9845   0.0    Cl    = 1.00
  12 0.192   0.4765  0.1818   0.0    Cl    = 1.00
  13 0.3378  0.9918  0.0118   0.0    NH(4) = 1.00
  14 0.6667  0.0491  0.0833   0.0    NH(4) = 0.64, K     = 0.36
  15 0.3337  0.9578  0.9618   0.0    NH(4) = 0.74, K     = 0.26
  16 0.3333  0.6667  0.0408   0.0    NH(4) = 0.51, K     = 0.49
  17 0.3333  0.6667  0.0824   0.0    NH(4) = 1.00
  18 0.0     0.0     0.0404   0.0    NH(4) = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.667      0.6663     0.0615
     2       2     0.3333     0.6667     0.0017
     3       3     0.3333     0.6667     0.1667
     4       4     0.4242     0.5372     0.0618
     5       5     0.9092     0.7794     0.0617
     6       6     0.6668     0.5082     0.045 
     7       7     0.6671     0.7939     0.0422
     8       8     0.6667     0.5173     0.0833
     9       9     0.6667     0.8103     0.0833
    10      10     0.3724     0.5173     0.0154
    11      11     0.3408     0.8364     0.9845
    12      12     0.192      0.4765     0.1818
    13      13     0.3378     0.9918     0.0118
    14      14     0.6667     0.0491     0.0833
    15      15     0.3337     0.9578     0.9618
    16      16     0.3333     0.6667     0.0408
    17      17     0.3333     0.6667     0.0824
    18      18     0.0        0.0        0.0404
    19       1     0.3337     0.0007     0.0615
    20       1     0.9993     0.333      0.0615
    21       4     0.4628     0.8871     0.0618
    22       4     0.1129     0.5758     0.0618
    23       5     0.2206     0.1298     0.0617
    24       5     0.8702     0.0908     0.0617
    25       6     0.4918     0.1586     0.045 
    26       6     0.8414     0.3332     0.045 
    27       7     0.2061     0.8732     0.0422
    28       7     0.1268     0.3329     0.0422
    29       8     0.4827     0.1493     0.0833
    30       8     0.8507     0.3333     0.0833
    31       9     0.1897     0.8564     0.0833
    32       9     0.1436     0.3333     0.0833
    33      10     0.4827     0.8551     0.0154
    34      10     0.1449     0.6276     0.0154
    35      11     0.1636     0.5044     0.9845
    36      11     0.4956     0.6593     0.9845
    37      12     0.5235     0.7155     0.1818
    38      12     0.2845     0.808      0.1818
    39      13     0.0082     0.346      0.0118
    40      13     0.654      0.6622     0.0118
    41      14     0.9509     0.6176     0.0833
    42      14     0.3824     0.3333     0.0833
    43      15     0.0422     0.3759     0.9618
    44      15     0.6241     0.6663     0.9618
    45       1     0.0004     0.334      0.3949
    46       1     0.3326     0.9997     0.7282
    47       2     0.0        0.0        0.335 
    48       2     0.6667     0.3333     0.6684
    49       3     0.0        0.0        0.5   
    50       3     0.6667     0.3333     0.8333
    51       4     0.1295     0.2204     0.3951
    52       4     0.4462     0.2424     0.7284
    53       5     0.8872     0.4631     0.3951
    54       5     0.2035     0.7574     0.7284
    55       6     0.1585     0.492      0.3783
    56       6     0.1747     0.9998     0.7116
    57       7     0.8728     0.2065     0.3755
    58       7     0.4602     0.9996     0.7089
    59       8     0.1493     0.4827     0.4167
    60       8     0.184      0.0        0.75  
    61       9     0.8564     0.1897     0.4167
    62       9     0.4769     0.0        0.75  
    63      10     0.1494     0.1885     0.3487
    64      10     0.4782     0.2942     0.682 
    65      11     0.8303     0.8377     0.3178
    66      11     0.8289     0.3259     0.6511
    67      12     0.1901     0.0488     0.5151
    68      12     0.6179     0.4747     0.8484
    69      13     0.6749     0.6793     0.3451
    70      13     0.9873     0.3289     0.6784
    71      14     0.6176     0.9509     0.4167
    72      14     0.7158     0.0        0.75  
    73      15     0.7089     0.7093     0.2951
    74      15     0.9574     0.333      0.6284
    75      16     0.0        0.0        0.3742
    76      16     0.6667     0.3333     0.7075
    77      17     0.0        0.0        0.4157
    78      17     0.6667     0.3333     0.749 
    79      18     0.6667     0.3333     0.3737
    80      18     0.3333     0.6667     0.707 
    81       1     0.666      0.6664     0.3949
    82       1     0.0003     0.3329     0.7282
    83       1     0.3336     0.9996     0.3949
    84       1     0.667      0.6673     0.7282
    85       4     0.7796     0.9091     0.3951
    86       4     0.7576     0.2038     0.7284
    87       4     0.0909     0.8705     0.3951
    88       4     0.7962     0.5537     0.7284
    89       5     0.5369     0.4241     0.3951
    90       5     0.2426     0.4461     0.7284
    91       5     0.5759     0.1128     0.3951
    92       5     0.5539     0.7965     0.7284
    93       6     0.508      0.6665     0.3783
    94       6     0.0001     0.1748     0.7116
    95       6     0.3335     0.8415     0.3783
    96       6     0.8252     0.8253     0.7116
    97       7     0.7935     0.6663     0.3755
    98       7     0.0004     0.4606     0.7089
    99       7     0.3337     0.1272     0.3755
   100       7     0.5394     0.5398     0.7089
   101       8     0.5173     0.6667     0.4167
   102       8     0.0        0.184      0.75  
   103       8     0.3333     0.8507     0.4167
   104       8     0.816      0.816      0.75  
   105       9     0.8103     0.6667     0.4167
   106       9     0.0        0.4769     0.75  
   107       9     0.3333     0.1436     0.4167
   108       9     0.523      0.523      0.75  
   109      10     0.8115     0.9609     0.3487
   110      10     0.7057     0.1839     0.682 
   111      10     0.0391     0.8506     0.3487
   112      10     0.816      0.5218     0.682 
   113      11     0.1623     0.9926     0.3178
   114      11     0.6741     0.503      0.6511
   115      11     0.0074     0.1697     0.3178
   116      11     0.497      0.171      0.6511
   117      12     0.9512     0.1414     0.5151
   118      12     0.5253     0.1432     0.8484
   119      12     0.8587     0.8099     0.5151
   120      12     0.8568     0.3821     0.8484
   121      13     0.3207     0.9955     0.3451
   122      13     0.6711     0.6585     0.6784
   123      13     0.0045     0.3251     0.3451
   124      13     0.3415     0.0126     0.6784
   125      14     0.0491     0.6667     0.4167
   126      14     0.0        0.7158     0.75  
   127      14     0.3333     0.3824     0.4167
   128      14     0.2842     0.2842     0.75  
   129      15     0.2907     0.9996     0.2951
   130      15     0.667      0.6244     0.6284
   131      15     0.0004     0.2911     0.2951
   132      15     0.3756     0.0426     0.6284
   133       1     0.667      0.0007     0.5615
   134       2     0.3333     0.6667     0.5017
   135       3     0.3333     0.6667     0.6667
   136       4     0.4242     0.8871     0.5618
   137       5     0.9092     0.1298     0.5617
   138       6     0.6668     0.1587     0.545 
   139       7     0.6671     0.8732     0.5422
   140       8     0.6667     0.1493     0.5833
   141       9     0.6667     0.8564     0.5833
   142      10     0.3724     0.8551     0.5154
   143      11     0.3408     0.5044     0.4845
   144      12     0.192      0.7155     0.6818
   145      13     0.3378     0.346      0.5118
   146      14     0.6667     0.6176     0.5833
   147      15     0.3337     0.3759     0.4618
   148      16     0.3333     0.6667     0.5408
   149      17     0.3333     0.6667     0.5824
   150      18     0.0        0.0        0.5404
   151       1     0.3337     0.333      0.5615
   152       1     0.9993     0.6663     0.5615
   153       4     0.4628     0.5758     0.5618
   154       4     0.1129     0.5372     0.5618
   155       5     0.2206     0.0908     0.5617
   156       5     0.8702     0.7794     0.5617
   157       6     0.4918     0.3332     0.545 
   158       6     0.8414     0.5082     0.545 
   159       7     0.2061     0.3329     0.5422
   160       7     0.1268     0.7939     0.5422
   161       8     0.4827     0.3333     0.5833
   162       8     0.8507     0.5173     0.5833
   163       9     0.1897     0.3333     0.5833
   164       9     0.1436     0.8103     0.5833
   165      10     0.4827     0.6276     0.5154
   166      10     0.1449     0.5173     0.5154
   167      11     0.1636     0.6593     0.4845
   168      11     0.4956     0.8364     0.4845
   169      12     0.5235     0.808      0.6818
   170      12     0.2845     0.4765     0.6818
   171      13     0.0082     0.6622     0.5118
   172      13     0.654      0.9918     0.5118
   173      14     0.9509     0.3333     0.5833
   174      14     0.3824     0.0491     0.5833
   175      15     0.0422     0.6663     0.4618
   176      15     0.6241     0.9578     0.4618
   177       1     0.0004     0.6664     0.8949
   178       1     0.3326     0.3329     0.2282
   179       2     0.0        0.0        0.835 
   180       2     0.6667     0.3333     0.1684
   181       3     0.0        0.0        0.0   
   182       3     0.6667     0.3333     0.3333
   183       4     0.1295     0.9091     0.8951
   184       4     0.4462     0.2038     0.2284
   185       5     0.8872     0.4241     0.8951
   186       5     0.2035     0.4461     0.2284
   187       6     0.1585     0.6665     0.8783
   188       6     0.1747     0.1748     0.2116
   189       7     0.8728     0.6663     0.8755
   190       7     0.4602     0.4606     0.2089
   191       8     0.1493     0.6667     0.9167
   192       8     0.184      0.184      0.25  
   193       9     0.8564     0.6667     0.9167
   194       9     0.4769     0.4769     0.25  
   195      10     0.1494     0.9609     0.8487
   196      10     0.4782     0.184      0.182 
   197      11     0.8303     0.9926     0.8178
   198      11     0.8289     0.503      0.1511
   199      12     0.1901     0.1413     0.0151
   200      12     0.6179     0.1432     0.3484
   201      13     0.6749     0.9955     0.8451
   202      13     0.9873     0.6585     0.1784
   203      14     0.6176     0.6667     0.9167
   204      14     0.7158     0.7158     0.25  
   205      15     0.7089     0.9996     0.7951
   206      15     0.9574     0.6244     0.1284
   207      16     0.0        0.0        0.8742
   208      16     0.6667     0.3333     0.2075
   209      17     0.0        0.0        0.9157
   210      17     0.6667     0.3333     0.249 
   211      18     0.6667     0.3333     0.8737
   212      18     0.3333     0.6667     0.207 
   213       1     0.666      0.9996     0.8949
   214       1     0.0003     0.6674     0.2282
   215       1     0.3336     0.334      0.8949
   216       1     0.667      0.9997     0.2282
   217       4     0.7796     0.8705     0.8951
   218       4     0.7576     0.5537     0.2284
   219       4     0.0909     0.2204     0.8951
   220       4     0.7962     0.2424     0.2284
   221       5     0.5369     0.1127     0.8951
   222       5     0.2426     0.7965     0.2284
   223       5     0.5759     0.4631     0.8951
   224       5     0.5539     0.7574     0.2284
   225       6     0.508      0.8415     0.8783
   226       6     0.0001     0.8253     0.2116
   227       6     0.3335     0.492      0.8783
   228       6     0.8252     0.9999     0.2116
   229       7     0.7935     0.1272     0.8755
   230       7     0.0004     0.5398     0.2089
   231       7     0.3337     0.2065     0.8755
   232       7     0.5394     0.9996     0.2089
   233       8     0.5173     0.8507     0.9167
   234       8     0.0        0.816      0.25  
   235       8     0.3333     0.4827     0.9167
   236       8     0.816      0.0        0.25  
   237       9     0.8103     0.1436     0.9167
   238       9     0.0        0.5231     0.25  
   239       9     0.3333     0.1897     0.9167
   240       9     0.523      0.0        0.25  
   241      10     0.8115     0.8506     0.8487
   242      10     0.7057     0.5218     0.182 
   243      10     0.0391     0.1885     0.8487
   244      10     0.816      0.2942     0.182 
   245      11     0.1623     0.1697     0.8178
   246      11     0.6741     0.171      0.1511
   247      11     0.0074     0.8377     0.8178
   248      11     0.497      0.3259     0.1511
   249      12     0.9512     0.8099     0.0151
   250      12     0.5253     0.3821     0.3484
   251      12     0.8587     0.0488     0.0151
   252      12     0.8568     0.4747     0.3484
   253      13     0.3207     0.3251     0.8451
   254      13     0.6711     0.0127     0.1784
   255      13     0.0045     0.6793     0.8451
   256      13     0.3415     0.3289     0.1784
   257      14     0.0491     0.3824     0.9167
   258      14     0.0        0.2842     0.25  
   259      14     0.3333     0.9509     0.9167
   260      14     0.2842     0.0        0.25  
   261      15     0.2907     0.2911     0.7951
   262      15     0.667      0.0426     0.1284
   263      15     0.0004     0.7093     0.7951
   264      15     0.3756     0.333      0.1284
   265       1     0.333      0.3337     0.9385
   266       2     0.6667     0.3333     0.9983
   267       4     0.5758     0.4628     0.9382
   268       5     0.0908     0.2206     0.9383
   269       6     0.3332     0.4918     0.955 
   270       7     0.3329     0.2061     0.9578
   271      10     0.6276     0.4827     0.9846
   272      11     0.6593     0.1636     0.0155
   273      12     0.808      0.5235     0.8182
   274      13     0.6622     0.0082     0.9882
   275      15     0.6663     0.0422     0.0382
   276      16     0.6667     0.3333     0.9592
   277      17     0.6667     0.3333     0.9176
   278      18     0.0        0.0        0.9596
   279       1     0.6663     0.9993     0.9385
   280       1     0.0007     0.667      0.9385
   281       4     0.5372     0.1129     0.9382
   282       4     0.8871     0.4242     0.9382
   283       5     0.7794     0.8702     0.9383
   284       5     0.1298     0.9092     0.9383
   285       6     0.5082     0.8414     0.955 
   286       6     0.1586     0.6668     0.955 
   287       7     0.7939     0.1268     0.9578
   288       7     0.8732     0.6671     0.9578
   289      10     0.5173     0.1449     0.9846
   290      10     0.8551     0.3724     0.9846
   291      11     0.8364     0.4956     0.0155
   292      11     0.5044     0.3407     0.0155
   293      12     0.4765     0.2845     0.8182
   294      12     0.7155     0.192      0.8182
   295      13     0.9918     0.654      0.9882
   296      13     0.346      0.3378     0.9882
   297      15     0.9578     0.6241     0.0382
   298      15     0.3759     0.3337     0.0382
   299       1     0.9996     0.666      0.6051
   300       1     0.6674     0.0003     0.2718
   301       2     0.0        0.0        0.665 
   302       2     0.3333     0.6667     0.3316
   303       4     0.8705     0.7796     0.6049
   304       4     0.5538     0.7576     0.2716
   305       5     0.1128     0.5369     0.6049
   306       5     0.7965     0.2426     0.2716
   307       6     0.8415     0.508      0.6217
   308       6     0.8253     0.0002     0.2884
   309       7     0.1272     0.7935     0.6245
   310       7     0.5398     0.0004     0.2911
   311      10     0.8506     0.8115     0.6513
   312      10     0.5218     0.7058     0.318 
   313      11     0.1697     0.1623     0.6822
   314      11     0.1711     0.6741     0.3489
   315      12     0.8099     0.9512     0.4849
   316      12     0.3821     0.5253     0.1516
   317      13     0.3251     0.3207     0.6549
   318      13     0.0127     0.6711     0.3216
   319      15     0.2911     0.2907     0.7049
   320      15     0.0426     0.667      0.3716
   321      16     0.0        0.0        0.6258
   322      16     0.3333     0.6667     0.2925
   323      17     0.0        0.0        0.5843
   324      17     0.3333     0.6667     0.251 
   325      18     0.3333     0.6667     0.6263
   326      18     0.6667     0.3333     0.293 
   327       1     0.334      0.3336     0.6051
   328       1     0.9997     0.6671     0.2718
   329       1     0.6664     0.0004     0.6051
   330       1     0.333      0.3327     0.2718
   331       4     0.2204     0.0909     0.6049
   332       4     0.2424     0.7962     0.2716
   333       4     0.9091     0.1295     0.6049
   334       4     0.2038     0.4463     0.2716
   335       5     0.4631     0.5759     0.6049
   336       5     0.7574     0.5539     0.2716
   337       5     0.4241     0.8872     0.6049
   338       5     0.4461     0.2035     0.2716
   339       6     0.492      0.3335     0.6217
   340       6     0.9999     0.8252     0.2884
   341       6     0.6665     0.1585     0.6217
   342       6     0.1748     0.1747     0.2884
   343       7     0.2065     0.3337     0.6245
   344       7     0.9996     0.5394     0.2911
   345       7     0.6663     0.8728     0.6245
   346       7     0.4606     0.4602     0.2911
   347      10     0.1885     0.0391     0.6513
   348      10     0.2943     0.8161     0.318 
   349      10     0.9609     0.1494     0.6513
   350      10     0.184      0.4782     0.318 
   351      11     0.8377     0.0074     0.6822
   352      11     0.3259     0.497      0.3489
   353      11     0.9926     0.8303     0.6822
   354      11     0.503      0.829      0.3489
   355      12     0.0488     0.8586     0.4849
   356      12     0.4747     0.8568     0.1516
   357      12     0.1413     0.1901     0.4849
   358      12     0.1432     0.6179     0.1516
   359      13     0.6793     0.0045     0.6549
   360      13     0.3289     0.3415     0.3216
   361      13     0.9955     0.6749     0.6549
   362      13     0.6585     0.9874     0.3216
   363      15     0.7093     0.0004     0.7049
   364      15     0.333      0.3756     0.3716
   365      15     0.9996     0.7089     0.7049
   366      15     0.6244     0.9574     0.3716
   367       1     0.333      0.9993     0.4385
   368       2     0.6667     0.3333     0.4983
   369       4     0.5758     0.1129     0.4382
   370       5     0.0908     0.8702     0.4383
   371       6     0.3332     0.8413     0.455 
   372       7     0.3329     0.1268     0.4578
   373      10     0.6276     0.1449     0.4846
   374      11     0.6593     0.4956     0.5155
   375      12     0.808      0.2845     0.3182
   376      13     0.6622     0.654      0.4882
   377      15     0.6663     0.6241     0.5382
   378      16     0.6667     0.3333     0.4592
   379      17     0.6667     0.3333     0.4176
   380      18     0.0        0.0        0.4596
   381       1     0.6663     0.667      0.4385
   382       1     0.0007     0.3337     0.4385
   383       4     0.5372     0.4242     0.4382
   384       4     0.8871     0.4628     0.4382
   385       5     0.7794     0.9092     0.4383
   386       5     0.1298     0.2206     0.4383
   387       6     0.5082     0.6668     0.455 
   388       6     0.1586     0.4918     0.455 
   389       7     0.7939     0.6671     0.4578
   390       7     0.8732     0.2061     0.4578
   391      10     0.5173     0.3724     0.4846
   392      10     0.8551     0.4827     0.4846
   393      11     0.8364     0.3407     0.5155
   394      11     0.5044     0.1636     0.5155
   395      12     0.4765     0.192      0.3182
   396      12     0.7155     0.5235     0.3182
   397      13     0.9918     0.3378     0.4882
   398      13     0.346      0.0082     0.4882
   399      15     0.9578     0.3337     0.5382
   400      15     0.3759     0.0422     0.5382
   401       1     0.9996     0.3336     0.1051
   402       1     0.6674     0.6671     0.7718
   403       2     0.0        0.0        0.165 
   404       2     0.3333     0.6667     0.8316
   405       4     0.8705     0.0909     0.1049
   406       4     0.5538     0.7962     0.7716
   407       5     0.1128     0.5759     0.1049
   408       5     0.7965     0.5539     0.7716
   409       6     0.8415     0.3335     0.1217
   410       6     0.8253     0.8252     0.7884
   411       7     0.1272     0.3337     0.1245
   412       7     0.5398     0.5394     0.7911
   413      10     0.8506     0.0391     0.1513
   414      10     0.5218     0.816      0.818 
   415      11     0.1697     0.0074     0.1822
   416      11     0.1711     0.497      0.8489
   417      12     0.8099     0.8587     0.9849
   418      12     0.3821     0.8568     0.6516
   419      13     0.3251     0.0045     0.1549
   420      13     0.0127     0.3415     0.8216
   421      15     0.2911     0.0004     0.2049
   422      15     0.0426     0.3756     0.8716
   423      16     0.0        0.0        0.1258
   424      16     0.3333     0.6667     0.7925
   425      17     0.0        0.0        0.0843
   426      17     0.3333     0.6667     0.751 
   427      18     0.3333     0.6667     0.1263
   428      18     0.6667     0.3333     0.793 
   429       1     0.334      0.0004     0.1051
   430       1     0.9997     0.3326     0.7718
   431       1     0.6664     0.666      0.1051
   432       1     0.333      0.0003     0.7718
   433       4     0.2204     0.1295     0.1049
   434       4     0.2424     0.4463     0.7716
   435       4     0.9091     0.7796     0.1049
   436       4     0.2038     0.7576     0.7716
   437       5     0.4631     0.8873     0.1049
   438       5     0.7574     0.2035     0.7716
   439       5     0.4241     0.5369     0.1049
   440       5     0.4461     0.2426     0.7716
   441       6     0.492      0.1585     0.1217
   442       6     0.9999     0.1747     0.7884
   443       6     0.6665     0.508      0.1217
   444       6     0.1748     0.0001     0.7884
   445       7     0.2065     0.8728     0.1245
   446       7     0.9996     0.4602     0.7911
   447       7     0.6663     0.7935     0.1245
   448       7     0.4606     0.0004     0.7911
   449      10     0.1885     0.1494     0.1513
   450      10     0.2943     0.4782     0.818 
   451      10     0.9609     0.8115     0.1513
   452      10     0.184      0.7058     0.818 
   453      11     0.8377     0.8303     0.1822
   454      11     0.3259     0.829      0.8489
   455      11     0.9926     0.1623     0.1822
   456      11     0.503      0.6741     0.8489
   457      12     0.0488     0.1901     0.9849
   458      12     0.4747     0.6179     0.6516
   459      12     0.1413     0.9512     0.9849
   460      12     0.1432     0.5253     0.6516
   461      13     0.6793     0.6749     0.1549
   462      13     0.3289     0.9873     0.8216
   463      13     0.9955     0.3207     0.1549
   464      13     0.6585     0.6711     0.8216
   465      15     0.7093     0.7089     0.2049
   466      15     0.333      0.9574     0.8716
   467      15     0.9996     0.2907     0.2049
   468      15     0.6244     0.667      0.8716


X-ray density (g/cm cub.)   =      2.76

MU (1/cm) =     439.293    Mass attenuation coefficient (cm**2/g) =    159.037

 Selected interatomic distances (cation-anion,anion-anion):

 NoP    Atom              Rad.sph.      C.N.    Distance     NoP N.
                           (angs.)               (angs.)

    1    Bi                  3.792        6
                                                 2.7543       4
                                                 2.7492       5
                                                 2.6777       6
                                                 2.5925       7
                                                 2.9683       8
                                                 2.9287       9
    2    Bi                  3.792        6
                                                 2.6563      10
                                                 2.8049      11
                                                 2.6562      10
                                                 2.6561      10
                                                 2.805       11
                                                 2.8051      11
    3    Bi                  3.792        6
                                                 2.7233      12
                                                 2.7233      12
                                                 2.7231      12
                                                 2.7233      12
                                                 2.7233      12
                                                 2.7231      12
    4    Cl                  4.524        9
                                                 3.7961       6
                                                 3.8406       7
                                                 3.984        8
                                                 4.0519       9
                                                 4.3507       4
                                                 4.3507       4
                                                 3.9912       7
                                                 3.9651       9
                                                 4.4318       5
    5    Cl                  4.524        9
                                                 3.7926       6
                                                 3.8362       7
                                                 3.9842       8
                                                 4.055        9
                                                 4.3546       5
                                                 4.3546       5
                                                 3.9836       7
                                                 3.9637       9
                                                 4.4318       4
    6    Cl                  4.524        8
                                                 3.7961       4
                                                 3.7926       5
                                                 3.7503       7
                                                 3.9407       8
                                                 3.963        6
                                                 3.9631       6
                                                 3.8015      11
                                                 3.7146      11
    7   Cl   ,Br             4.704       10
                                                 3.8406       4
                                                 3.8362       5
                                                 3.7503       6
                                                 4.2279       9
                                                 4.65        10
                                                 3.9912       4
                                                 3.9836       5
                                                 4.0         10
                                                 4.5674      12
                                                 4.1003      12
    8    Cl                  4.524        9
                                                 3.984        4
                                                 3.9842       5
                                                 3.9407       6
                                                 3.8356       9
                                                 4.1727       8
                                                 4.1727       8
                                                 3.9846       4
                                                 3.9848       5
                                                 3.9418       6
    9   Cl   ,Br             4.704       11
                                                 4.0519       4
                                                 4.055        5
                                                 4.2279       7
                                                 3.8356       8
                                                 3.9651       4
                                                 3.9637       5
                                                 3.9657       4
                                                 4.0524       4
                                                 3.9644       5
                                                 4.0555       5
                                                 4.2289       7
   10   Cl   ,Br             4.704        8
                                                 4.65         7
                                                 4.0          7
                                                 3.9069      10
                                                 3.9069      10
                                                 4.1369      11
                                                 3.6238      11
                                                 4.2636      12
                                                 3.51        11
   11    Cl                  4.524        8
                                                 3.6238      10
                                                 4.1369      10
                                                 3.7673      11
                                                 3.7673      11
                                                 3.7145       6
                                                 3.8016       6
                                                 3.5102      10
                                                 3.6063      12
   12    Cl                  4.524        7
                                                 3.8788      12
                                                 3.8788      12
                                                 4.0998       7
                                                 4.2637      10
                                                 3.8234      12
                                                 3.8235      12
                                                 3.6061      11
   13    NH(4)               3.912        7
                                                 3.4772      11
                                                 3.5314       7
                                                 3.2145      10
                                                 3.3871      12
                                                 3.6682      11
                                                 3.5499      10
                                                 3.6255      12
   14   NH(4),K              3.948        7
                                                 3.1269       9
                                                 3.2965       4
                                                 3.2947       5
                                                 3.2692       8
                                                 3.2692       8
                                                 3.2971       4
                                                 3.2953       5
   15   NH(4),K              3.948        8
                                                 2.8494      11
                                                 3.2819       7
                                                 3.4117       4
                                                 3.4142       5
                                                 3.3909       6
                                                 3.3925       6
                                                 3.3779      10
                                                 3.4336      12
   16   NH(4),K              3.948        9
                                                 3.3046       4
                                                 3.8222       7
                                                 3.4545      10
                                                 3.3044       4
                                                 3.3044       4
                                                 3.822        7
                                                 3.8222       7
                                                 3.4544      10
                                                 3.4544      10
   17    NH(4)               3.912        9
                                                 3.284        4
                                                 3.793        9
                                                 3.2838       4
                                                 3.2838       4
                                                 3.7928       9
                                                 3.793        9
                                                 3.4186       5
                                                 3.4187       5
                                                 3.4187       5
   18    NH(4)               3.912        9
                                                 3.3377       5
                                                 3.8152       7
                                                 3.3377       5
                                                 3.3377       5
                                                 3.8153       7
                                                 3.8152       7
                                                 3.4283      12
                                                 3.4283      12
                                                 3.4283      12

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   0   0   6  2.58    5.159   0.029  984.24    2      444.8      167.6
    2   1   0  -2  3.989   7.979   0.045  410.24    6       16.7        0.3
    3   1   0   4  4.259   8.518   0.048  359.65    6      293.6       80.0
    4   0   0  12  5.165  10.329   0.058  243.83    2     1143.3      274.3
    5   1   0  -8  5.201  10.401   0.059  240.44    6       27.0        0.5
    6   1   0  10  5.809  11.617   0.066  192.3     6      112.0        6.2
    7   1   1   0  6.757  13.514   0.076  141.5     6       81.0        2.4
    8   1   1   3  6.88   13.761   0.078  136.4    12     2082.4     3054.5
    9   1   0 -14  7.185  14.371   0.081  124.88    6      181.2       10.6
   10   1   1   6  7.237  14.474   0.082  123.06   12     2507.2     3994.6
   11   0   0  18  7.76   15.521   0.088  106.74    2     3221.6      953.5
   12   1   1   9  7.797  15.593   0.088  105.73   12      969.3      513.0
   13   2   0   2  7.856  15.713   0.089  104.09    6        4.1        0.0
   14   1   0  16  7.927  15.855   0.09   102.2     6       79.9        1.7
   15   2   0  -4  7.998  15.996   0.09   100.36    6      133.4        4.6
   16   1   1  12  8.52   17.039   0.096   88.19   12     1459.0      969.3
   17   2   0   8  8.542  17.083   0.096   87.72    6      272.3       16.8
   18   2   0 -10  8.928  17.857   0.101   80.1     6       88.9        1.6
   19   1   1  15  9.37   18.74    0.106   72.53   12     1487.2      828.4
   20   1   0 -20  9.48   18.959   0.107   70.81    6      411.1       30.9
   21   2   0  14  9.888  19.776   0.111   64.9     6      388.0       25.2
   22   1   0  22 10.281  20.561   0.116   59.88    6      404.3       25.3
   23   1   1  18 10.317  20.635   0.116   59.44   12      359.5       39.7
   24   2   1   1 10.363  20.727   0.117   58.89   12      129.1        5.1
   25   0   0  24 10.372  20.744   0.117   58.79    2     1152.7       67.2
   26   2   1  -2 10.391  20.781   0.117   58.57   12        5.5        0.0
   27   2   0 -16 10.445  20.89    0.118   57.95    6       70.3        0.7
   28   2   1   4 10.499  20.998   0.118   57.33   12      147.8        6.5
   29   2   1  -5 10.58   21.16    0.119   56.42   12       80.9        1.9
   30   2   1   7 10.792  21.584   0.122   54.14   12      213.8       12.8
   31   2   1  -8 10.923  21.846   0.123   52.8    12       67.8        1.3
   32   2   1  10 11.231  22.461   0.126   49.83   12      164.6        7.0
   33   1   1  21 11.34   22.679   0.128   48.84   12     1811.0      827.1
   34   2   1 -11 11.407  22.813   0.128   48.24   12      156.3        6.1
   35   2   0  20 11.678  23.356   0.131   45.93    6      961.3      109.6
   36   3   0   0 11.759  23.518   0.132   45.27    6     3083.5     1111.3
   37   2   1  13 11.799  23.599   0.133   44.95   12      112.0        2.9
   38   1   0 -26 11.919  23.839   0.134   44.01    6       15.8        0.0
   39   2   1 -14 12.015  24.03    0.135   43.27   12      150.8        5.1
   40   3   0  -6 12.047  24.093   0.135   43.04    6      437.9       21.3
   41   3   0   6 12.047  24.093   0.135   43.04    6      436.7       21.2
   42   2   0 -22 12.343  24.686   0.139   40.9     6     1322.5      184.7
   43   1   1  24 12.42   24.84    0.14    40.37   12     2129.5      945.2
   44   2   1  16 12.482  24.963   0.14    39.95   12      121.4        3.0
   45   2   1 -17 12.731  25.463   0.143   38.32   12      266.5       14.1
   46   1   0  28 12.754  25.507   0.143   38.18    6      144.6        2.1
   47   3   0 -12 12.873  25.746   0.145   37.43    6      812.9       63.9
   48   3   0  12 12.873  25.746   0.145   37.43    6      829.5       66.5
   49   0   0  30 13.006  26.011   0.146   36.63    2      503.7        8.0
   50   2   1  19 13.261  26.522   0.149   35.16   12       95.1        1.6
   51   2   1 -20 13.54   27.08    0.152   33.64   12     1045.1      189.7
   52   1   1  27 13.547  27.094   0.152   33.61   12     1508.5      394.9
   53   2   2   0 13.611  27.222   0.153   33.27    6      363.9       11.4
   54   2   2   3 13.674  27.348   0.153   32.95   12     1882.9      603.1
   55   2   0  26 13.751  27.502   0.154   32.56    6      780.6       51.2
   56   2   2   6 13.862  27.725   0.156   32.0    12     1267.9      265.6
   57   2   1  22 14.123  28.247   0.158   30.76   12     1272.9      257.3
   58   3   0 -18 14.151  28.301   0.159   30.63    6     2746.1      596.4
   59   3   0  18 14.151  28.301   0.159   30.63    6     2771.1      607.3
   60   2   2   9 14.171  28.342   0.159   30.54   12      158.6        4.0
   61   3   1  -1 14.185  28.37    0.159   30.48   12     1300.9      266.3
   62   3   1   2 14.205  28.41    0.159   30.38   12     1088.7      186.0
   63   3   1  -4 14.286  28.572   0.16    30.02   12      584.4       52.9
   64   3   1   5 14.347  28.694   0.161   29.75   12      487.4       36.5
   65   2   1 -23 14.427  28.854   0.162   29.4    12       57.5        0.5
   66   1   0 -32 14.447  28.893   0.162   29.31    6      676.7       34.7
   67   2   0 -28 14.487  28.974   0.162   29.14    6      303.0        6.9
   68   3   1  -7 14.507  29.014   0.163   29.05   12      117.8        2.1
   69   2   2  12 14.593  29.187   0.164   28.68   12      864.6      110.7
   70   3   1   8 14.607  29.213   0.164   28.63   12      325.8       15.7
   71   1   1  30 14.711  29.423   0.165   28.19   12      380.2       21.1
   72   3   1 -10 14.843  29.685   0.166   27.66   12      228.6        7.5
   73   3   1  11 14.979  29.958   0.168   27.13   12      244.8        8.4
   74   2   1  25 15.056  30.112   0.169   26.83   12       86.9        1.0
   75   2   2  15 15.12   30.24    0.169   26.59   12      377.5       19.6
   76   3   1 -13 15.286  30.572   0.171   25.97   12      370.6       18.4
   77   1   0  34 15.304  30.609   0.171   25.91    6      251.5        4.2
   78   2   1 -26 15.38   30.761   0.172   25.63   12     1251.7      207.4
   79   3   1  14 15.456  30.912   0.173   25.36   12      137.4        2.5
   80   0   0  36 15.668  31.335   0.175   24.63    2      356.5        2.7
   81   2   2  18 15.742  31.485   0.176   24.38   12       90.9        1.0
   82   3   0 -24 15.779  31.559   0.177   24.26    6      263.0        4.3
   83   3   0  24 15.779  31.559   0.177   24.26    6      241.2        3.6
   84   4   0  -2 15.792  31.584   0.177   24.21    6     1847.7      213.4
   85   3   1 -16 15.829  31.657   0.177   24.09   12       58.7        0.4
   86   4   0   4 15.866  31.731   0.177   23.97    6      910.3       51.3
   87   1   1  33 15.908  31.816   0.178   23.83   12      372.4       17.1
   88   2   0  32 16.012  32.023   0.179   23.5     6      392.8        9.4
   89   3   1  17 16.03   32.061   0.179   23.44   12      100.1        1.2
   90   2   1  28 16.048  32.097   0.179   23.39   12      969.5      113.5
   91   4   0  -8 16.158  32.315   0.181   23.05    6       20.9        0.0
   92   4   0  10 16.373  32.747   0.183   22.39    6        8.8        0.0
   93   2   1 -29 16.391  32.782   0.183   22.34   12      168.5        3.3
   94   2   2  21 16.451  32.901   0.184   22.17   12     3952.8     1788.5
   95   3   1 -19 16.462  32.925   0.184   22.13   12      220.2        5.5
   96   3   1  20 16.692  33.385   0.186   21.48   12      323.4       11.6
   97   2   0 -34 16.797  33.594   0.188   21.19    6      296.9        4.8
   98   4   0 -14 16.937  33.874   0.189   20.81    6      102.1        0.6
   99   1   0 -38 17.04   34.081   0.19    20.53    6      471.8       11.8
  100   2   1  31 17.092  34.184   0.191   20.4    12      207.0        4.5
  101   1   1  36 17.132  34.264   0.191   20.3    12      714.3       53.5
  102   3   1 -22 17.178  34.357   0.192   20.18   12      450.7       21.2
  103   3   2   1 17.23   34.46    0.192   20.05   12        5.3        0.0
  104   2   2  24 17.235  34.471   0.192   20.03   12     3330.4     1147.3
  105   3   2  -2 17.247  34.494   0.192   20.0    12      720.5       53.6
  106   4   0  16 17.281  34.562   0.193   19.92    6      164.4        1.4
  107   3   2   4 17.315  34.63    0.193   19.83   12      550.7       31.1
  108   3   2  -5 17.366  34.732   0.194   19.7    12       73.4        0.5
  109   3   1  23 17.434  34.868   0.194   19.54   12      568.3       32.6
  110   2   1 -32 17.45   34.901   0.195   19.5    12       87.2        0.8
  111   3   2   7 17.502  35.003   0.195   19.37   12      230.2        5.3
  112   3   2  -8 17.586  35.171   0.196   19.17   12        7.2        0.0
  113   3   0 -30 17.675  35.349   0.197   18.96    6     2891.4      409.3
  114   3   0  30 17.675  35.349   0.197   18.96    6     2909.1      414.3
  115   3   2  10 17.786  35.572   0.198   18.7    12       30.1        0.1
  116   3   2 -11 17.902  35.805   0.2     18.44   12       56.4        0.3
  117   1   0  40 17.918  35.836   0.2     18.4     6      347.7        5.7
  118   3   1 -25 17.968  35.936   0.2     18.29   12      600.4       34.0
  119   4   0 -20 18.083  36.166   0.201   18.03    6      124.7        0.7
  120   2   2  27 18.089  36.177   0.202   18.02   12     1860.6      322.2
  121   4   1   0 18.138  36.276   0.202   17.92   12      263.4        6.4
  122   3   2  13 18.165  36.33    0.202   17.86   12      321.0        9.5
  123   2   1  34 18.181  36.362   0.203   17.82   12      111.2        1.1
  124   4   1  -3 18.187  36.374   0.203   17.81   12     1509.6      209.6
  125   4   1   3 18.187  36.374   0.203   17.81   12     1478.2      201.0
  126   3   1  26 18.246  36.493   0.203   17.68   12      325.9        9.7
  127   3   2 -14 18.312  36.623   0.204   17.54   12       24.8        0.1
  128   4   1  -6 18.333  36.667   0.204   17.5    12     1971.8      351.3
  129   4   1   6 18.333  36.667   0.204   17.5    12     1987.5      356.9
  130   0   0  42 18.365  36.73    0.205   17.43    2     3291.3      162.5
  131   1   1  39 18.381  36.762   0.205   17.4    12     1132.1      115.1
  132   2   0  38 18.408  36.816   0.205   17.34    6      416.6        7.8
  133   4   0  22 18.537  37.075   0.206   17.08    6       78.0        0.3
  134   2   1 -35 18.553  37.106   0.207   17.05   12       60.0        0.3
  135   4   1  -9 18.575  37.15    0.207   17.0    12      921.1       74.5
  136   4   1   9 18.575  37.15    0.207   17.0    12      951.0       79.4
  137   3   2  16 18.633  37.267   0.207   16.88   12        3.5        0.0
  138   3   2 -17 18.808  37.617   0.209   16.54   12      123.9        1.3
  139   3   1 -28 18.824  37.648   0.209   16.51   12      731.5       45.6
  140   4   1 -12 18.909  37.817   0.21    16.35   12     1193.0      120.1
  141   4   1  12 18.909  37.817   0.21    16.35   12     1218.0      125.2
  142   2   2  30 19.003  38.006   0.211   16.17   12      976.9       79.7
  143   3   1  29 19.123  38.246   0.213   15.95   12      552.7       25.1
  144   3   2  19 19.186  38.371   0.213   15.83   12      387.2       12.3
  145   2   0 -40 19.232  38.464   0.214   15.75    6      503.8       10.3
  146   2   1  37 19.309  38.619   0.215   15.61   12       66.8        0.4
  147   4   1 -15 19.331  38.661   0.215   15.57   12     1076.3       93.1
  148   4   1  15 19.331  38.661   0.215   15.57   12     1076.2       93.1
  149   3   2 -20 19.387  38.775   0.215   15.47   12      123.4        1.2
  150   4   0 -26 19.541  39.082   0.217   15.2     6      173.0        1.2
  151   1   1  42 19.653  39.306   0.218   15.01   12     2175.7      366.9
  152   1   0 -44 19.694  39.387   0.219   14.94    6       20.0        0.0
  153   2   1 -38 19.694  39.387   0.219   14.94   12      177.1        2.4
  154   3   1 -31 19.74   39.479   0.219   14.86   12      313.0        7.5
  155   3   0 -36 19.775  39.55    0.22    14.8     6     1790.2      122.5
  156   3   0  36 19.775  39.55    0.22    14.8     6     1816.2      126.1
  157   3   2  22 19.816  39.632   0.22    14.74   12      150.0        1.7
  158   4   1 -18 19.836  39.672   0.22    14.7    12      219.5        3.7
  159   4   1  18 19.836  39.672   0.22    14.7    12      239.2        4.3
  160   5   0   2 19.877  39.753   0.221   14.64    6      732.8       20.3
  161   5   0  -4 19.937  39.874   0.221   14.54    6      398.3        6.0
  162   2   2  33 19.972  39.943   0.222   14.48   12      532.6       21.2
  163   3   2 -23 20.042  40.084   0.222   14.37   12      596.3       26.4
  164   3   1  32 20.057  40.114   0.223   14.34   12      123.1        1.1
  165   4   0  28 20.087  40.174   0.223   14.3     6      438.6        7.1
  166   5   0   8 20.177  40.354   0.224   14.16    6      280.1        2.9
  167   5   0 -10 20.356  40.712   0.226   13.88    6       86.9        0.3
  168   4   1 -21 20.42   40.84    0.226   13.78   12     2199.1      344.2
  169   4   1  21 20.42   40.84    0.226   13.78   12     2231.2      354.3
  170   2   1  40 20.474  40.947   0.227   13.7    12       64.7        0.3
  171   3   2  25 20.518  41.036   0.228   13.64   12      299.4        6.3
  172   1   0  46 20.591  41.182   0.228   13.53    6       54.6        0.1
  173   3   3   0 20.67   41.34    0.229   13.41    6     4022.1      560.2
  174   3   1 -34 20.709  41.418   0.23    13.36   12      479.6       15.9
  175   3   3   3 20.714  41.428   0.23    13.35   12      367.0        9.3
  176   3   2 -26 20.767  41.535   0.23    13.27   12      406.8       11.3
  177   5   0  14 20.826  41.652   0.231   13.19    6      438.2        6.5
  178   3   3   6 20.845  41.691   0.231   13.16   12      659.2       29.5
  179   2   1 -41 20.869  41.738   0.231   13.13   12       36.7        0.1
  180   2   0  44 20.912  41.825   0.232   13.07    6       93.2        0.3
  181   1   1  45 20.946  41.892   0.232   13.02   12     1458.7      143.1
  182   2   2  36 20.99   41.98    0.233   12.96   12     1277.4      109.2
  183   3   1  35 21.043  42.086   0.233   12.89   12      365.3        8.9
  184   3   3   9 21.063  42.125   0.233   12.86   12      172.5        2.0
  185   4   2  -1 21.072  42.144   0.233   12.85   12      208.4        2.9
  186   4   1 -24 21.077  42.154   0.233   12.84   12     2174.4      313.5
  187   4   1  24 21.077  42.154   0.233   12.84   12     2196.2      319.8
  188   4   2   2 21.087  42.173   0.234   12.83   12      259.5        4.5
  189   0   0  48 21.105  42.21    0.234   12.8     2     5412.8      322.8
  190   5   0 -16 21.115  42.231   0.234   12.79    6      448.9        6.7
  191   4   2  -4 21.144  42.288   0.234   12.75   12       89.8        0.5
  192   4   2   5 21.187  42.375   0.235   12.69   12      108.1        0.8
  193   4   0 -32 21.259  42.517   0.235   12.6     6      560.7       10.2
  194   3   2  28 21.287  42.575   0.236   12.56   12      444.3       12.8
  195   4   2  -7 21.302  42.604   0.236   12.54   12      337.0        7.4
  196   3   3  12 21.364  42.727   0.236   12.46   12     1021.1       67.1
  197   4   2   8 21.373  42.746   0.237   12.45   12      165.5        1.8
  198   4   2 -10 21.544  43.087   0.238   12.23   12      103.3        0.7
  199   3   2 -29 21.558  43.115   0.239   12.21   12       27.1        0.0
  200   4   2  11 21.643  43.285   0.239   12.1    12       46.0        0.1
  201   2   1  43 21.67   43.34    0.24    12.07   12      249.4        3.9
  202   3   1 -37 21.727  43.453   0.24    12.0    12      365.1        8.3
  203   3   3  15 21.746  43.492   0.24    11.97   12      144.4        1.3
  204   2   0 -46 21.769  43.537   0.241   11.94    6      312.9        3.0
  205   5   0  20 21.797  43.594   0.241   11.91    6       81.1        0.2
  206   4   1 -27 21.802  43.604   0.241   11.9    12     1999.2      245.7
  207   4   1  27 21.802  43.604   0.241   11.9    12     1953.8      234.6
  208   4   2 -13 21.867  43.735   0.242   11.82   12      436.4       11.6
  209   4   0  34 21.881  43.762   0.242   11.81    6      128.1        0.5
  210   4   2  14 21.993  43.986   0.243   11.67   12       76.7        0.4
  211   3   0 -42 22.039  44.078   0.244   11.62    6      702.2       14.8
  212   3   0  42 22.039  44.078   0.244   11.62    6      674.0       13.6
  213   2   2  39 22.053  44.106   0.244   11.6    12      782.2       36.6
  214   2   1 -44 22.076  44.152   0.244   11.57   12      670.6       26.9
  215   3   1  38 22.076  44.152   0.244   11.57   12       77.7        0.4
  216   3   2  31 22.118  44.236   0.244   11.52   12       38.7        0.1
  217   5   0 -22 22.187  44.374   0.245   11.44    6       24.8        0.0
  218   3   3  18 22.206  44.411   0.245   11.42   12     3390.3      677.9
  219   5   1   1 22.229  44.458   0.246   11.39   12      521.0       16.0
  220   5   1  -2 22.243  44.485   0.246   11.38   12      376.2        8.3
  221   1   1  48 22.26   44.52    0.246   11.36   12      164.4        1.6
  222   4   2 -16 22.27   44.54    0.246   11.35   12       48.4        0.1
  223   5   1   4 22.298  44.596   0.246   11.31   12      475.3       13.2
  224   5   1  -5 22.339  44.678   0.247   11.27   12      110.3        0.7
  225   1   0 -50 22.407  44.814   0.247   11.19    6      332.2        3.2
  226   3   2 -32 22.407  44.815   0.247   11.19   12      205.6        2.4
  227   4   2  17 22.421  44.843   0.248   11.17   12       94.0        0.5
  228   5   1   7 22.449  44.898   0.248   11.14   12      373.0        8.0
  229   5   1  -8 22.517  45.035   0.249   11.07   12       43.2        0.1
  230   4   1 -30 22.59   45.18    0.249   10.99   12      255.8        3.7
  231   4   1  30 22.59   45.18    0.249   10.99   12      275.0        4.3
  232   5   1  10 22.681  45.362   0.25    10.89   12      137.9        1.1
  233   3   3  21 22.74   45.48    0.251   10.82   12      334.5        6.3
  234   4   2 -19 22.749  45.498   0.251   10.81   12      596.7       19.9
  235   5   1 -11 22.776  45.552   0.251   10.79   12      131.1        1.0
  236   3   1 -40 22.789  45.578   0.251   10.77   12      236.1        3.1
  237   2   1  46 22.897  45.794   0.253   10.66   12      436.1       10.5
  238   4   2  20 22.925  45.849   0.253   10.63   12      451.6       11.2
  239   5   1  13 22.992  45.984   0.254   10.56   12      522.8       14.9
  240   3   2  34 23.005  46.01    0.254   10.54   12      255.3        3.5
  241   5   0  26 23.059  46.118   0.254   10.49    6      195.4        1.0
  242   5   1 -14 23.113  46.226   0.255   10.43   12      112.9        0.7
  243   3   1  41 23.152  46.305   0.255   10.39   12      160.5        1.4
  244   2   2  42 23.157  46.314   0.255   10.39   12     2210.0      262.0
  245   4   0 -38 23.193  46.385   0.256   10.35    6      501.7        6.7
  246   4   2 -22 23.3    46.599   0.257   10.24   12      549.1       15.9
  247   2   1 -47 23.312  46.625   0.257   10.23   12      135.6        1.0
  248   3   2 -35 23.313  46.625   0.257   10.23   12       54.7        0.2
  249   1   0  52 23.326  46.651   0.257   10.22    6      289.9        2.2
  250   3   3  24 23.344  46.688   0.257   10.2    12     1992.8      209.2
  251   5   1  16 23.38   46.759   0.258   10.17   12       71.9        0.3
  252   4   1 -33 23.437  46.874   0.258   10.11   12      290.5        4.4
  253   4   1  33 23.437  46.874   0.258   10.11   12      330.9        5.7
  254   4   2  23 23.499  46.997   0.259   10.05   12      936.5       45.5
  255   2   0  50 23.511  47.023   0.259   10.04    6      107.2        0.3
  256   5   1 -17 23.525  47.051   0.259   10.02   12      212.6        2.3
  257   5   0 -28 23.538  47.077   0.259   10.01    6       43.3        0.0
  258   1   1  51 23.595  47.19    0.26     9.96   12     1960.3      197.6
  259   5   1  19 23.841  47.682   0.262    9.73   12      430.3        9.3
  260   4   0  40 23.88   47.759   0.263    9.69    6      265.6        1.8
  261   3   1 -43 23.893  47.785   0.263    9.68   12      385.8        7.4
  262   0   0  54 23.897  47.793   0.263    9.67    2      658.6        3.6
  263   4   2 -25 23.919  47.838   0.263    9.65   12      495.5       12.2
  264   3   2  37 23.945  47.89    0.263    9.63   12      163.6        1.3
  265   5   1 -20 24.01   48.021   0.264    9.57   12      273.0        3.7
  266   3   3  27 24.015  48.029   0.264    9.57   12      314.2        4.9
  267   6   0   0 24.054  48.108   0.265    9.53    6     5057.1      629.3
  268   4   2  26 24.14   48.28    0.265    9.45   12      250.4        3.1
  269   2   1  49 24.153  48.305   0.266    9.44   12      178.0        1.5
  270   6   0  -6 24.209  48.419   0.266    9.39    6      129.9        0.4
  271   6   0   6 24.209  48.419   0.266    9.39    6      111.1        0.3
  272   3   1  44 24.269  48.538   0.267    9.34   12      329.4        5.2
  273   3   2 -38 24.269  48.539   0.267    9.34   12      299.3        4.3
  274   2   2  45 24.299  48.598   0.267    9.31   12     2676.9      344.6
  275   4   1 -36 24.338  48.676   0.268    9.28   12      665.2       21.2
  276   4   1  36 24.338  48.676   0.268    9.28   12      665.5       21.2
  277   5   1  22 24.373  48.745   0.268    9.25   12      279.4        3.7
  278   2   0 -52 24.398  48.795   0.268    9.23    6      109.9        0.3
  279   4   3   1 24.411  48.823   0.268    9.22   12      983.9       46.1
  280   4   3  -2 24.424  48.849   0.268    9.21   12      528.7       13.3
  281   3   0 -48 24.441  48.881   0.269    9.19    6     2698.2      172.8
  282   3   0  48 24.441  48.881   0.269    9.19    6     2705.2      173.7
  283   4   3   4 24.476  48.951   0.269    9.16   12      191.6        1.7
  284   4   3  -5 24.514  49.028   0.269    9.13   12      323.2        4.9
  285   5   1 -23 24.565  49.13    0.27     9.09   12      928.3       40.4
  286   2   1 -50 24.577  49.154   0.27     9.08   12      669.4       21.0
  287   5   0  32 24.578  49.156   0.27     9.08    6      425.9        4.2
  288   4   2 -28 24.603  49.207   0.27     9.05   12      176.1        1.4
  289   4   3   7 24.616  49.233   0.27     9.04   12       32.8        0.1
  290   6   0 -12 24.672  49.343   0.271    9.0     6     1016.4       24.0
  291   6   0  12 24.672  49.343   0.271    9.0     6      983.0       22.4
  292   4   3  -8 24.68   49.36    0.271    8.99   12      270.7        3.4
  293   3   3  30 24.748  49.496   0.272    8.93   12     2878.0      382.1
  294   4   3  10 24.833  49.666   0.273    8.86   12       49.9        0.1
  295   4   2  29 24.845  49.691   0.273    8.85   12       79.3        0.3
  296   4   3 -11 24.922  49.843   0.274    8.79   12      128.7        0.8
  297   3   2  40 24.934  49.867   0.274    8.78   12      380.6        6.6
  298   1   1  54 24.95   49.9     0.274    8.77   12     1600.9      116.1
  299   5   1  25 24.972  49.944   0.274    8.75   12      621.3       17.4
  300   3   1 -46 25.035  50.069   0.275    8.7    12      436.2        8.6
  301   5   2   0 25.103  50.205   0.275    8.65   12      425.7        8.1
  302   4   3  13 25.123  50.247   0.276    8.63   12       92.7        0.4
  303   5   0 -34 25.136  50.271   0.276    8.62    6      131.8        0.4
  304   5   2  -3 25.14   50.281   0.276    8.62   12     1593.6      113.0
  305   5   2   3 25.14   50.281   0.276    8.62   12     1639.2      119.6
  306   1   0 -56 25.185  50.371   0.276    8.58    6      531.3        6.3
  307   5   1 -26 25.186  50.372   0.276    8.58   12       29.1        0.0
  308   4   3 -14 25.237  50.473   0.277    8.55   12      327.3        4.7
  309   5   2  -6 25.253  50.507   0.277    8.53   12     1941.7      166.1
  310   5   2   6 25.253  50.507   0.277    8.53   12     1970.9      171.1
  311   3   2 -41 25.274  50.547   0.277    8.52   12       20.3        0.0
  312   4   1 -39 25.29   50.581   0.277    8.5    12     1274.0       71.3
  313   4   1  39 25.29   50.581   0.277    8.5    12     1295.4       73.7
  314   4   0 -44 25.311  50.622   0.278    8.49    6     1656.9       60.2
  315   4   2 -31 25.349  50.698   0.278    8.46   12       46.6        0.1
  316   3   1  47 25.423  50.847   0.279    8.4    12      670.8       19.5
  317   6   0 -18 25.428  50.856   0.279    8.4     6     2084.8       94.3
  318   6   0  18 25.428  50.856   0.279    8.4     6     2054.8       91.6
  319   2   1  52 25.436  50.872   0.279    8.39   12      665.3       19.2
  320   5   2  -9 25.441  50.882   0.279    8.39   12      833.1       30.1
  321   5   2   9 25.441  50.882   0.279    8.39   12      808.9       28.3
  322   2   2  48 25.477  50.955   0.279    8.36   12      514.2       11.4
  323   4   3  16 25.486  50.973   0.279    8.36   12      168.8        1.2
  324   3   3  33 25.54   51.08    0.28     8.32   12      171.6        1.3
  325   4   2  32 25.61   51.221   0.281    8.26   12      473.7        9.6
  326   4   3 -17 25.623  51.246   0.281    8.25   12       16.6        0.0
  327   5   1  28 25.635  51.271   0.281    8.25   12       88.1        0.3
  328   5   2 -12 25.702  51.403   0.282    8.2    12      929.3       36.6
  329   5   2  12 25.702  51.403   0.282    8.2    12      983.7       41.0
  330   2   1 -53 25.87   51.739   0.283    8.08   12      341.0        4.8
  331   5   1 -29 25.87   51.74    0.283    8.08   12       49.7        0.1
  332   4   3  19 25.92   51.839   0.284    8.04   12      110.7        0.5
  333   3   2  43 25.968  51.937   0.284    8.01   12      256.9        2.7
  334   5   2 -15 26.034  52.069   0.285    7.96   12     1172.0       56.5
  335   5   2  15 26.034  52.069   0.285    7.96   12     1181.6       57.4
  336   4   0  46 26.054  52.108   0.285    7.95    6     1540.0       48.7
  337   4   3 -20 26.079  52.158   0.285    7.93   12      369.8        5.6
  338   1   0  58 26.127  52.254   0.286    7.9     6      513.1        5.4
  339   4   2 -34 26.152  52.305   0.286    7.88   12      220.1        2.0
  340   2   0  56 26.201  52.401   0.287    7.85    6      479.7        4.7
  341   3   1 -49 26.213  52.426   0.287    7.84   12      759.9       23.4
  342   4   1 -42 26.29   52.581   0.288    7.78   12     1891.8      143.9
  343   4   1  42 26.29   52.581   0.288    7.78   12     1882.5      142.5
  344   3   2 -44 26.323  52.646   0.288    7.76   12      116.4        0.5
  345   5   0  38 26.323  52.646   0.288    7.76    6      392.3        3.1
  346   1   1  57 26.326  52.653   0.288    7.76   12       60.4        0.1
  347   5   1  31 26.36   52.719   0.288    7.74   12      134.6        0.7
  348   3   3  36 26.388  52.776   0.288    7.72   12     1516.4       91.7
  349   4   3  22 26.421  52.841   0.289    7.7    12      559.0       12.4
  350   4   2  35 26.432  52.865   0.289    7.69   12      127.6        0.6
  351   5   2 -18 26.437  52.874   0.289    7.69   12      193.4        1.5
  352   5   2  18 26.437  52.874   0.289    7.69   12      253.0        2.5
  353   6   1  -1 26.457  52.914   0.289    7.67   12      231.5        2.1
  354   6   0 -24 26.461  52.922   0.289    7.67    6      188.7        0.7
  355   6   0  24 26.461  52.922   0.289    7.67    6      219.6        1.0
  356   6   1   2 26.469  52.938   0.289    7.67   12      685.0       18.6
  357   6   1  -4 26.518  53.035   0.29     7.63   12      135.0        0.7
  358   6   1   5 26.554  53.108   0.29     7.61   12      298.6        3.5
  359   4   3 -23 26.602  53.204   0.291    7.58   12      292.2        3.3
  360   3   1  50 26.614  53.227   0.291    7.57   12      799.7       25.0
  361   5   1 -32 26.614  53.228   0.291    7.57   12      614.7       14.8
  362   6   1  -7 26.651  53.301   0.291    7.55   12      356.7        5.0
  363   2   2  51 26.69   53.38    0.292    7.52   12      107.2        0.4
  364   6   1   8 26.711  53.422   0.292    7.51   12       97.3        0.4
  365   2   1  55 26.746  53.492   0.292    7.49   12      241.1        2.2
  366   0   0  60 26.75   53.5     0.292    7.48    2      845.9        4.6
  367   6   1 -10 26.855  53.71    0.293    7.42   12       41.7        0.1
  368   5   2 -21 26.907  53.814   0.294    7.38   12     1123.9       48.2
  369   5   2  21 26.907  53.814   0.294    7.38   12     1090.7       45.4
  370   6   1  11 26.939  53.878   0.294    7.36   12       68.1        0.2
  371   5   0 -40 26.951  53.901   0.294    7.36    6      168.5        0.5
  372   3   0 -54 26.966  53.932   0.294    7.35    6      215.3        0.9
  373   3   0  54 26.966  53.932   0.294    7.35    6      205.4        0.8
  374   4   3  25 26.987  53.974   0.295    7.33   12      446.8        7.6
  375   4   2 -37 27.01   54.021   0.295    7.32   12      260.6        2.6
  376   3   2  46 27.046  54.092   0.295    7.3    12      185.2        1.3
  377   2   0 -58 27.117  54.235   0.296    7.25    6       26.7        0.0
  378   6   1 -13 27.13   54.26    0.296    7.25   12      361.9        4.9
  379   5   1  34 27.142  54.284   0.296    7.24   12      317.7        3.8
  380   2   1 -56 27.189  54.378   0.297    7.21   12      518.9       10.0
  381   4   3 -26 27.19   54.379   0.297    7.21   12      161.6        1.0
  382   6   1  14 27.237  54.475   0.297    7.18   12       57.0        0.1
  383   3   3  39 27.288  54.577   0.298    7.15   12      131.6        0.6
  384   4   2  38 27.308  54.616   0.298    7.14   12      327.0        3.9
  385   4   1 -45 27.336  54.671   0.298    7.12   12     1257.1       58.1
  386   4   1  45 27.336  54.671   0.298    7.12   12     1254.3       57.9
  387   3   2 -47 27.415  54.829   0.299    7.08   12      185.4        1.3
  388   5   1 -35 27.415  54.83    0.299    7.08   12      155.5        0.9
  389   3   1 -52 27.426  54.852   0.299    7.07   12      579.7       12.3
  390   5   2 -24 27.443  54.885   0.299    7.06   12     2056.7      154.2
  391   5   2  24 27.443  54.885   0.299    7.06   12     2092.7      159.7
  392   6   1 -16 27.474  54.949   0.299    7.04   12      142.3        0.7
  393   4   0 -50 27.592  55.183   0.301    6.97    6      376.9        2.6
  394   6   1  17 27.604  55.208   0.301    6.97   12      212.0        1.6
  395   4   3  28 27.616  55.231   0.301    6.96   12      626.9       14.1
  396   1   1  60 27.725  55.449   0.302    6.9    12     1409.0       70.7
  397   6   0 -30 27.749  55.498   0.302    6.88    6      666.6        7.9
  398   6   0  30 27.749  55.498   0.302    6.88    6      646.3        7.4
  399   3   1  53 27.838  55.676   0.303    6.83   12      544.3       10.5
  400   4   3 -29 27.839  55.678   0.303    6.83   12      610.3       13.1
  401   6   1 -19 27.886  55.772   0.304    6.81   12      179.6        1.1
  402   4   2 -40 27.921  55.841   0.304    6.79   12      189.2        1.3
  403   2   2  54 27.936  55.871   0.304    6.78   12     1103.1       42.6
  404   5   1  37 27.979  55.958   0.305    6.76   12      171.4        1.0
  405   1   0 -62 28.037  56.073   0.305    6.73    6      223.9        0.9
  406   6   1  20 28.038  56.075   0.305    6.72   12      381.5        5.1
  407   5   2 -27 28.041  56.083   0.305    6.72   12     1216.6       51.4
  408   5   2  27 28.041  56.083   0.305    6.72   12     1264.0       55.5
  409   4   4   0 28.077  56.153   0.306    6.7     6      135.1        0.3
  410   2   1  58 28.083  56.167   0.306    6.7    12      410.8        5.8
  411   4   4   3 28.112  56.223   0.306    6.68   12     1034.7       37.0
  412   3   2  49 28.165  56.33    0.306    6.66   12      176.1        1.1
  413   4   4   6 28.216  56.432   0.307    6.63   12     1302.7       58.1
  414   4   2  41 28.235  56.47    0.307    6.62   12       52.6        0.1
  415   3   3  42 28.239  56.478   0.307    6.62   12     1565.6       83.8
  416   5   0  44 28.27   56.539   0.307    6.6     6      420.9        3.0
  417   5   1 -38 28.27   56.54    0.307    6.6    12      437.6        6.5
  418   4   3  31 28.305  56.61    0.308    6.58   12      384.9        5.0
  419   6   1 -22 28.363  56.726   0.308    6.55   12      526.6        9.4
  420   4   0  52 28.385  56.77    0.309    6.54    6      130.0        0.3
  421   4   4   9 28.39   56.78    0.309    6.54   12      165.1        0.9
  422   5   3  -1 28.398  56.795   0.309    6.53   12      824.8       23.0
  423   5   3   2 28.409  56.818   0.309    6.53   12      562.1       10.6
  424   7   0  -2 28.409  56.818   0.309    6.53    6      720.1        8.7
  425   4   1 -48 28.424  56.848   0.309    6.52   12       83.6        0.2
  426   4   1  48 28.424  56.848   0.309    6.52   12       70.4        0.2
  427   5   3  -4 28.455  56.911   0.309    6.5    12      685.4       15.8
  428   7   0   4 28.455  56.911   0.309    6.5     6       54.8        0.1
  429   5   3   5 28.49   56.98    0.31     6.49   12      205.6        1.4
  430   2   1 -59 28.535  57.07    0.31     6.46   12      150.0        0.8
  431   6   1  23 28.536  57.072   0.31     6.46   12      425.2        6.0
  432   3   2 -50 28.547  57.094   0.31     6.46   12      766.2       19.6
  433   4   3 -32 28.547  57.095   0.31     6.46   12       36.8        0.0
  434   5   3  -7 28.582  57.164   0.311    6.44   12      240.3        1.9
  435   4   4  12 28.632  57.264   0.311    6.41   12     1030.9       35.2
  436   5   3   8 28.64   57.279   0.311    6.41   12      211.1        1.5
  437   7   0  -8 28.64   57.279   0.311    6.41    6      364.4        2.2
  438   3   1 -55 28.673  57.347   0.311    6.39   12      302.6        3.0
  439   5   2 -30 28.701  57.402   0.312    6.38   12      199.4        1.3
  440   5   2  30 28.701  57.402   0.312    6.38   12      197.7        1.3
  441   5   3 -10 28.777  57.555   0.312    6.34   12       75.3        0.2
  442   7   0  10 28.777  57.555   0.312    6.34    6      228.9        0.9
  443   5   3  11 28.858  57.715   0.313    6.3    12      230.4        1.7
  444   5   1  40 28.869  57.737   0.313    6.29   12      460.4        6.9
  445   4   2 -43 28.88   57.76    0.314    6.29   12      379.2        4.7
  446   6   1 -25 28.903  57.806   0.314    6.28   12      238.2        1.8
  447   4   4  15 28.941  57.883   0.314    6.26   12       98.7        0.3
  448   5   0 -46 28.96   57.92    0.314    6.25    6      543.8        4.8
  449   2   0  62 28.982  57.964   0.315    6.24    6      563.5        5.1
  450   1   0  64 29.005  58.01    0.315    6.23    6      284.2        1.3
  451   5   3 -13 29.04   58.081   0.315    6.21   12      174.2        1.0
  452   4   3  34 29.051  58.103   0.315    6.21   12      269.0        2.3
  453   3   1  56 29.096  58.193   0.316    6.18   12      235.5        1.8
  454   6   1  26 29.097  58.194   0.316    6.18   12      503.8        8.1
  455   5   3  14 29.143  58.286   0.316    6.16   12      390.3        4.8
  456   7   0 -14 29.143  58.286   0.316    6.16    6      199.6        0.6
  457   1   1  63 29.145  58.291   0.316    6.16   12     1497.6       71.4
  458   5   1 -41 29.176  58.353   0.316    6.15   12      410.8        5.4
  459   4   2  44 29.21   58.421   0.317    6.13   12      365.7        4.2
  460   2   2  57 29.214  58.428   0.317    6.13   12      576.5       10.5
  461   3   3  45 29.237  58.474   0.317    6.12   12      348.3        3.8
  462   6   0 -36 29.271  58.542   0.317    6.1     6      412.6        2.7
  463   6   0  36 29.271  58.542   0.317    6.1     6      418.1        2.8
  464   4   3 -35 29.313  58.626   0.318    6.08   12      244.1        1.9
  465   4   4  18 29.317  58.634   0.318    6.08   12       49.1        0.1
  466   3   2  52 29.324  58.647   0.318    6.08   12      675.2       14.3
  467   6   2   1 29.336  58.672   0.318    6.07   12      192.0        1.2
  468   6   2  -2 29.347  58.694   0.318    6.07   12       34.9        0.0
  469   5   3 -16 29.37   58.739   0.318    6.06   12      283.1        2.5
  470   7   0  16 29.37   58.739   0.318    6.06    6        4.7        0.0
  471   6   2   4 29.392  58.785   0.319    6.04   12      296.8        2.7
  472   5   2 -33 29.418  58.837   0.319    6.03   12      330.0        3.4
  473   5   2  33 29.418  58.837   0.319    6.03   12      278.9        2.4
  474   6   2  -5 29.426  58.853   0.319    6.03   12      224.9        1.6
  475   2   1  61 29.448  58.896   0.319    6.02   12       47.2        0.1
  476   5   3  17 29.494  58.988   0.32     6.0    12      332.9        3.4
  477   6   1 -28 29.505  59.01    0.32     5.99   12      131.9        0.5
  478   6   2   7 29.517  59.033   0.32     5.99   12      441.4        6.0
  479   4   1 -51 29.553  59.107   0.32     5.97   12     1353.3       56.5
  480   4   1  51 29.553  59.107   0.32     5.97   12     1328.1       54.4
  481   6   2  -8 29.573  59.146   0.32     5.96   12      612.1       11.5
  482   3   0 -60 29.609  59.219   0.321    5.95    6      220.4        0.7
  483   3   0  60 29.609  59.219   0.321    5.95    6      242.4        0.9
  484   0   0  66 29.677  59.353   0.321    5.92    2     4200.5       89.8
  485   6   2  10 29.708  59.416   0.322    5.9    12      255.9        2.0
  486   3   2 -53 29.718  59.437   0.322    5.9    12      265.3        2.1
  487   6   1  29 29.719  59.438   0.322    5.9    12       77.8        0.2
  488   4   4  21 29.757  59.513   0.322    5.88   12     2332.3      165.2
  489   5   3 -19 29.764  59.528   0.322    5.88   12       21.8        0.0
  490   6   2 -11 29.787  59.573   0.322    5.87   12      115.8        0.4
  491   5   1  43 29.809  59.617   0.323    5.86   12      718.7       15.6
  492   4   3  37 29.853  59.707   0.323    5.84   12      320.0        3.1
  493   4   2 -46 29.887  59.774   0.323    5.82   12      399.9        4.8
  494   2   1 -62 29.909  59.817   0.324    5.81   12      589.4       10.4
  495   5   3  20 29.91   59.82    0.324    5.81   12      276.4        2.3
  496   7   0 -20 29.91   59.82    0.324    5.81    6      464.9        3.2
  497   2   0 -64 29.931  59.862   0.324    5.8     6       61.9        0.1
  498   3   1 -58 29.954  59.907   0.324    5.79   12       14.8        0.0
  499   6   2  13 29.966  59.932   0.324    5.79   12      309.8        2.9


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (angs.):

  No   H   K   L   Theta 2*Theta    d           I int   I int.n.  I p.h.n.   H(Si)
                    ( degree )   (angstrem)     *100                         *100

    1   0   0   6   2.58    5.159 17.11367      167.6      4.2      4.2     5.5
    2   1   0   4   4.259   8.518 10.3721        80.0      2.0      2.0     5.6
    3   0   0  12   5.165  10.329  8.55683      274.3      6.9      6.9     5.6
    4   1   1   3   6.88   13.761  6.42995     3054.5     76.5     76.5     5.6
    5   1   1   6   7.237  14.474  6.11441     3994.6    100.0    100.0     5.6
    6   0   0  18   7.76   15.521  5.70456      953.5     23.9     23.9     5.6
    7   1   1   9   7.797  15.593  5.67815      513.0     12.8     12.8     5.6
    8   1   1  12   8.52   17.039  5.19937      986.1     24.7     24.6     5.6
    9   1   1  15   9.37   18.74   4.73124      828.4     20.7     20.7     5.6
   10   0   0  24  10.372  20.744  4.27842       72.3      1.8      1.8     5.6
   11   1   1  21  11.34   22.679  3.91751      827.1     20.7     20.6     5.6
   12   2   0  20  11.678  23.356  3.80558      109.6      2.7      2.7     5.6
   13   3   0   0  11.759  23.518  3.77962     1111.3     27.8     27.7     5.6
   14   3   0   6  12.047  24.093  3.69069       42.5      1.1      1.1     5.6
   15   2   0  22  12.343  24.686  3.60337      184.7      4.6      4.6     5.6
   16   1   1  24  12.42   24.84   3.5814       945.2     23.7     23.5     5.6
   17   3   0  12  12.873  25.746  3.45737      130.4      3.3      3.2     5.6
   18   1   1  27  13.547  27.094  3.28842      584.6     14.6     14.5     5.6
   19   2   2   3  13.674  27.348  3.25838      603.1     15.1     15.0     5.6
   20   2   0  26  13.751  27.502  3.24057       51.2      1.3      1.3     5.6
   21   2   2   6  13.862  27.725  3.21497      265.6      6.7      6.6     5.6
   22   3   0  18  14.151  28.301  3.15079     1461.1     36.6     36.2     5.6
   23   3   1   1  14.185  28.37   3.14336      456.2     11.4     11.3     5.6
   24   3   1   4  14.286  28.572  3.1215        52.9      1.3      1.3     5.6
   25   2   2  12  14.593  29.187  3.0572       126.4      3.2      3.1     5.6
   26   2   1  26  15.38   30.761  2.90423      207.4      5.2      5.1     5.6
   27   4   0   2  15.792  31.584  2.83041      221.4      5.5      5.5     5.6
   28   4   0   4  15.866  31.731  2.81759       51.3      1.3      1.3     5.6
   29   2   1  28  16.048  32.097  2.78636      113.5      2.8      2.8     5.6
   30   2   2  21  16.451  32.901  2.72004     1794.0     44.9     44.3     5.6
   31   1   1  36  17.132  34.264  2.61487       53.5      1.3      1.3     5.7
   32   2   2  24  17.235  34.471  2.59969     1200.9     30.1     29.6     5.7
   33   3   0  30  17.675  35.349  2.53705      823.6     20.6     20.3     5.7
   34   2   2  27  18.089  36.177  2.48088      322.2      8.1      7.9     5.7
   35   4   1   3  18.187  36.374  2.4679       427.6     10.7     10.5     5.7
   36   4   1   6  18.333  36.667  2.44888      708.2     17.7     17.4     5.7
   37   0   0  42  18.365  36.73   2.44481      277.7      7.0      6.8     5.7
   38   4   1   9  18.575  37.15   2.41813      153.9      3.9      3.8     5.7
   39   3   1  28  18.824  37.648  2.38725       46.9      1.2      1.2     5.7
   40   4   1  12  18.909  37.817  2.37696      245.4      6.1      6.0     5.7
   41   2   2  30  19.003  38.006  2.36562       79.7      2.0      2.0     5.7
   42   4   1  15  19.331  38.661  2.327        186.2      4.7      4.6     5.7
   43   1   1  42  19.653  39.306  2.29031      366.9      9.2      9.0     5.7
   44   3   0  36  19.775  39.55   2.27674      248.6      6.2      6.1     5.7
   45   4   1  21  20.42   40.84   2.20776      698.5     17.5     17.1     5.7
   46   3   3   0  20.67   41.34   2.18217      560.2     14.0     13.7     5.7
   47   1   1  45  20.946  41.892  2.15469      143.1      3.6      3.5     5.7
   48   2   2  36  20.99   41.98   2.1504       109.2      2.7      2.7     5.7
   49   4   2   2  21.087  42.173  2.14098      970.2     24.3     23.7     5.7
   50   3   3  12  21.364  42.727  2.11449       68.8      1.7      1.7     5.7
   51   4   1  27  21.802  43.604  2.07401      480.3     12.0     11.7     5.7
   52   2   2  39  22.053  44.106  2.05156       92.3      2.3      2.3     5.7
   53   3   3  18  22.206  44.411  2.03814      693.8     17.4     16.9     5.7
   54   2   2  42  23.157  46.314  1.95875      263.4      6.6      6.4     5.7
   55   3   3  24  23.344  46.688  1.94392      209.2      5.2      5.1     5.7
   56   4   2  23  23.499  46.997  1.93184       48.1      1.2      1.2     5.7
   57   1   1  51  23.595  47.19   1.92442      197.6      4.9      4.8     5.7
   58   6   0   0  24.054  48.108  1.88981      629.3     15.8     15.3     5.7
   59   2   2  45  24.299  48.598  1.87188      344.6      8.6      8.4     5.7
   60   4   1  36  24.338  48.676  1.86907       42.4      1.1      1.0     5.7
   61   4   3   1  24.411  48.823  1.86379       59.4      1.5      1.4     5.7
   62   3   0  48  24.441  48.881  1.8617       346.4      8.7      8.4     5.7
   63   5   1  23  24.565  49.13   1.85285       65.7      1.6      1.6     5.7
   64   6   0  12  24.672  49.343  1.84534       49.8      1.2      1.2     5.7
   65   3   3  30  24.748  49.496  1.84002      382.1      9.6      9.3     5.7
   66   1   1  54  24.95   49.9    1.82605      140.1      3.5      3.4     5.7
   67   5   2   3  25.14   50.281  1.81312      232.6      5.8      5.6     5.8
   68   5   2   6  25.253  50.507  1.80554      342.0      8.6      8.3     5.8
   69   4   1  39  25.29   50.581  1.80307      205.1      5.1      5.0     5.8
   70   5   2   9  25.441  50.882  1.79311      282.9      7.1      6.9     5.8
   71   5   2  12  25.702  51.403  1.77613       77.5      1.9      1.9     5.8
   72   5   2  15  26.034  52.069  1.75499      162.5      4.1      3.9     5.8
   73   4   1  42  26.29   52.581  1.73909      286.3      7.2      6.9     5.8
   74   3   3  36  26.388  52.776  1.73312       91.7      2.3      2.2     5.8
   75   5   1  32  26.614  53.228  1.71946       43.1      1.1      1.0     5.8
   76   5   2  21  26.907  53.814  1.70211       93.5      2.3      2.3     5.8
   77   4   1  45  27.336  54.671  1.67743      119.9      3.0      2.9     5.8
   78   5   2  24  27.443  54.885  1.67139      328.3      8.2      7.9     5.8
   79   1   1  60  27.725  55.449  1.65573       86.0      2.2      2.1     5.8
   80   2   2  54  27.936  55.871  1.64421       43.9      1.1      1.1     5.8
   81   5   2  27  28.041  56.083  1.63851      111.9      2.8      2.7     5.8
   82   4   4   3  28.112  56.223  1.63476       42.8      1.1      1.0     5.8
   83   3   3  42  28.239  56.478  1.62799      141.9      3.6      3.4     5.8
   84   5   3   1  28.398  56.795  1.61964       42.7      1.1      1.0     5.8
   85   1   1  63  29.145  58.291  1.58159       76.8      1.9      1.8     5.8
   86   4   1  51  29.553  59.107  1.56169      122.4      3.1      2.9     5.8
   87   0   0  66  29.677  59.353  1.55579       89.8      2.2      2.2     5.8
   88   4   4  21  29.757  59.513  1.55199      165.2      4.1      4.0     5.8

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)