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

                            ***

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

1, DF

Ca(3)Zn(2)[PO(4)](2)CO(3)(OH)(2).H(2)O


Monoclinic  C 2/c  Z = 4

C2/c

5 .2 .9

Ref.Str.:

         Krause W., Effenberger H., Bernhardt H.-J., Medenbach O. (2008)

         * Eur. J. Mineral., 20, 271-280

         R: Located near Rosh Pinah mine, Luderitz district, Karas region,

         Namibia, Africa.

         See U(ij) in the original. N.A.D.

                   Initial data from BDM-file 

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

             a =  19.045    alpha =   90.0 
             b =   9.32     beta  =   92.73
             c =   6.525    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1156.87

    Molar volume ( cub.cm/mol.) =   174.21

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

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

   1 0.1707  0.0439  0.4112   0.0    Zn    = 1.00
   2 0.0     0.5979  0.25     0.0    Ca    = 1.00
   3 0.1642  0.3354  0.1217   0.0    Ca    = 1.00
   4 0.178   0.6666  0.1506   0.0    P     = 1.00
   5 0.0     0.2818  0.25     0.0    C     = 1.00
   6 0.2161  0.7668  0.303    0.0    O     = 1.00
   7 0.2278  0.5501  0.069    0.0    O     = 1.00
   8 0.1214  0.5841  0.2629   0.0    O     = 1.00
   9 0.1452  0.7483  0.9648   0.0    O     = 1.00
  10 0.0     0.1463  0.25     0.0    O     = 1.00
  11 0.0294  0.3549  0.1068   0.0    O     = 1.00
  12 0.1348  0.0735  0.1247   0.0    OH    = 1.00
  13 0.0     0.85    0.201    0.0    H(2)O = 0.25, H(2)O = 0.0 
  14 0.011   0.848   0.216    0.0    H(2)O = 0.25, H(2)O = 0.0 
  15 0.0928  0.082   0.134    0.0    H     = 1.00
  16 0.0     0.924   0.25     0.0    H     = 1.00
  17 0.002   0.851   0.066    0.0    H     = 0.5 , H     = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1707     0.0439     0.4112
     2       2     0.0        0.5979     0.25  
     3       3     0.1642     0.3354     0.1217
     4       4     0.178      0.6666     0.1506
     5       5     0.0        0.2818     0.25  
     6       6     0.2161     0.7668     0.303 
     7       7     0.2278     0.5501     0.069 
     8       8     0.1214     0.5841     0.2629
     9       9     0.1452     0.7483     0.9648
    10      10     0.0        0.1463     0.25  
    11      11     0.0294     0.3549     0.1068
    12      12     0.1348     0.0735     0.1247
    13      13     0.0        0.85       0.201 
    14      14     0.011      0.848      0.216 
    15      15     0.0928     0.082      0.134 
    16      16     0.0        0.924      0.25  
    17      17     0.002      0.851      0.066 
    18       1     0.8293     0.9561     0.5888
    19       2     0.0        0.4021     0.75  
    20       3     0.8358     0.6646     0.8783
    21       4     0.822      0.3334     0.8494
    22       5     0.0        0.7182     0.75  
    23       6     0.7839     0.2332     0.697 
    24       7     0.7722     0.4499     0.931 
    25       8     0.8786     0.4159     0.7371
    26       9     0.8548     0.2517     0.0352
    27      10     0.0        0.8536     0.75  
    28      11     0.9706     0.6451     0.8932
    29      12     0.8652     0.9265     0.8753
    30      13     0.0        0.15       0.799 
    31      14     0.989      0.152      0.784 
    32      15     0.9072     0.918      0.866 
    33      16     0.0        0.076      0.75  
    34      17     0.998      0.149      0.934 
    35       1     0.1707     0.9561     0.9112
    36       3     0.1642     0.6646     0.6217
    37       4     0.178      0.3334     0.6506
    38       6     0.2161     0.2332     0.803 
    39       7     0.2278     0.4499     0.569 
    40       8     0.1214     0.4159     0.7629
    41       9     0.1452     0.2517     0.4648
    42      11     0.0294     0.6451     0.6068
    43      12     0.1348     0.9265     0.6247
    44      13     0.0        0.15       0.701 
    45      14     0.011      0.152      0.716 
    46      15     0.0928     0.918      0.634 
    47      17     0.002      0.149      0.566 
    48       1     0.8293     0.0439     0.0888
    49       3     0.8358     0.3354     0.3783
    50       4     0.822      0.6666     0.3494
    51       6     0.7839     0.7668     0.197 
    52       7     0.7722     0.5501     0.431 
    53       8     0.8786     0.5841     0.2371
    54       9     0.8548     0.7483     0.5352
    55      11     0.9706     0.3549     0.3932
    56      12     0.8652     0.0735     0.3753
    57      13     0.0        0.85       0.299 
    58      14     0.989      0.848      0.284 
    59      15     0.9072     0.082      0.366 
    60      17     0.998      0.851      0.434 
    61       1     0.6707     0.4561     0.9112
    62       2     0.5        0.9021     0.75  
    63       3     0.6642     0.1646     0.6217
    64       4     0.678      0.8334     0.6506
    65       5     0.5        0.2182     0.75  
    66       6     0.7161     0.7332     0.803 
    67       7     0.7278     0.9499     0.569 
    68       8     0.6214     0.9159     0.7629
    69       9     0.6452     0.7517     0.4648
    70      10     0.5        0.3537     0.75  
    71      11     0.5294     0.1451     0.6068
    72      12     0.6348     0.4265     0.6247
    73      13     0.5        0.65       0.701 
    74      14     0.511      0.652      0.716 
    75      15     0.5928     0.418      0.634 
    76      16     0.5        0.576      0.75  
    77      17     0.502      0.649      0.566 
    78       1     0.3293     0.5439     0.0888
    79       2     0.5        0.0979     0.25  
    80       3     0.3358     0.8354     0.3783
    81       4     0.322      0.1666     0.3494
    82       5     0.5        0.7818     0.25  
    83       6     0.2839     0.2668     0.197 
    84       7     0.2722     0.0501     0.431 
    85       8     0.3786     0.0841     0.2371
    86       9     0.3548     0.2483     0.5352
    87      10     0.5        0.6464     0.25  
    88      11     0.4706     0.8549     0.3932
    89      12     0.3652     0.5735     0.3753
    90      13     0.5        0.35       0.299 
    91      14     0.489      0.348      0.284 
    92      15     0.4072     0.582      0.366 
    93      16     0.5        0.424      0.25  
    94      17     0.498      0.351      0.434 
    95       1     0.6707     0.5439     0.4112
    96       3     0.6642     0.8354     0.1217
    97       4     0.678      0.1666     0.1506
    98       6     0.7161     0.2668     0.303 
    99       7     0.7278     0.0501     0.069 
   100       8     0.6214     0.0841     0.2629
   101       9     0.6452     0.2483     0.9648
   102      11     0.5294     0.8549     0.1068
   103      12     0.6348     0.5735     0.1247
   104      13     0.5        0.35       0.201 
   105      14     0.511      0.348      0.216 
   106      15     0.5928     0.582      0.134 
   107      17     0.502      0.351      0.066 
   108       1     0.3293     0.4561     0.5888
   109       3     0.3358     0.1646     0.8783
   110       4     0.322      0.8334     0.8494
   111       6     0.2839     0.7332     0.697 
   112       7     0.2722     0.9499     0.931 
   113       8     0.3786     0.9159     0.7371
   114       9     0.3548     0.7517     0.0352
   115      11     0.4706     0.1451     0.8932
   116      12     0.3652     0.4265     0.8753
   117      13     0.5        0.65       0.799 
   118      14     0.489      0.652      0.784 
   119      15     0.4072     0.418      0.866 
   120      17     0.498      0.649      0.934 


X-ray density (g/cm cub.)   =      3.2 

MU (1/cm) =     232.03     Mass attenuation coefficient (cm**2/g) =     72.577

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

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

    1    Zn                  2.796        4
                                                 1.9792      12
                                                 2.0315       9
                                                 1.9229      12
                                                 1.9327       7
    2    Ca                  3.048       10
                                                 2.3136       8
                                                 2.5227      11
                                                 2.3711      13
                                                 2.3517      14
                                                 2.4088      11
                                                 2.4088      11
                                                 2.3136       8
                                                 2.5227      11
                                                 2.3711      13
                                                 2.3517      14
    3    Ca                  3.048        8
                                                 2.373        7
                                                 2.6374       8
                                                 2.5713      11
                                                 2.5044      12
                                                 2.5309       6
                                                 2.5548       8
                                                 2.414        9
                                                 2.3957       6
    4    P                   2.4          4
                                                 1.5224       6
                                                 1.5517       7
                                                 1.5385       8
                                                 1.539        9
    5    C                   2.04         3
                                                 1.2624      10
                                                 1.3039      11
                                                 1.3039      11
    6    O                   3.432       11
                                                 2.5477       7
                                                 2.4854       8
                                                 2.538        9
                                                 3.4284      12
                                                 3.4278       7
                                                 3.0548      12
                                                 2.9542       7
                                                 3.3772      12
                                                 2.8384       6
                                                 3.1924       7
                                                 3.2391       9
    7    O                   3.432       12
                                                 2.5477       6
                                                 2.4593       8
                                                 2.499        9
                                                 3.4278       6
                                                 3.3937       7
                                                 3.3937       7
                                                 3.0448       8
                                                 2.9542       6
                                                 3.2244      12
                                                 3.1924       6
                                                 3.0798       9
                                                 3.1771      12
    8    O                   3.432       10
                                                 2.4854       6
                                                 2.4593       7
                                                 2.5325       9
                                                 2.9156      11
                                                 3.4007      13
                                                 3.2413      14
                                                 3.0448       7
                                                 3.3876       9
                                                 2.9676      11
                                                 3.4056      13
    9    O                   3.432       12
                                                 2.538        6
                                                 2.499        7
                                                 2.5325       8
                                                 3.2151      12
                                                 3.3652      13
                                                 3.2372      14
                                                 3.1944      10
                                                 3.3876       8
                                                 3.2794      11
                                                 2.7716      12
                                                 3.2391       6
                                                 3.0798       7
   10    O                   3.432       14
                                                 2.2394      11
                                                 2.8136      12
                                                 2.7804      13
                                                 2.7981      14
                                                 3.1944       9
                                                 2.943       13
                                                 3.0383      14
                                                 3.1944       9
                                                 2.943       13
                                                 3.0383      14
                                                 2.2394      11
                                                 2.8136      12
                                                 2.7804      13
                                                 2.7981      14
   11    O                   3.432       11
                                                 2.9156       8
                                                 2.2394      10
                                                 3.3014      12
                                                 3.2183      11
                                                 2.8085      13
                                                 2.9069      14
                                                 2.9676       8
                                                 3.2794       9
                                                 3.291       13
                                                 3.1807      14
                                                 2.2233      11
   12    OH                  3.48        12
                                                 3.4284       6
                                                 3.2151       9
                                                 2.8136      10
                                                 3.3014      11
                                                 3.3609      13
                                                 3.2344      14
                                                 3.3305      13
                                                 3.0548       6
                                                 2.7716       9
                                                 3.3772       6
                                                 3.2244       7
                                                 3.1771       7
   13   H(2)O,H(2)O          3.6         14
                                                 3.4007       8
                                                 3.3652       9
                                                 2.7804      10
                                                 3.3609      12
                                                 0.2277      14
                                                 3.5824      10
                                                 2.943       10
                                                 2.8085      11
                                                 3.3305      12
                                                 3.291       11
                                                 3.4056       8
                                                 3.5352      12
                                                 0.6395      13
                                                 0.5902      14
   14   H(2)O,H(2)O          3.6         14
                                                 3.2413       8
                                                 3.2372       9
                                                 2.7981      10
                                                 3.2344      12
                                                 0.2277      13
                                                 3.501       10
                                                 3.0383      10
                                                 2.9069      11
                                                 3.549       12
                                                 3.1807      11
                                                 3.5501      12
                                                 3.5304       8
                                                 0.5902      13
                                                 0.6246      14
   15    H                   1.8          1
                                                 0.8082      12
   16    H                   1.8          4
                                                 0.7602      13
                                                 0.7741      14
                                                 0.7602      13
                                                 0.7741      14
   17   H    ,H              1.8          4
                                                 0.8836      13
                                                 0.986       14
                                                 1.5226      13
                                                 1.4557      14

  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   2   0   0  4.645   9.29    0.053  301.98    2      177.9     1427.7
    2   1   1   0  5.281  10.561   0.06   233.14    4       21.3       31.7
    3   3   1   0  8.449  16.897   0.095   89.71    4      135.8      494.5
    4   1   1  -1  8.526  17.053   0.096   88.04    4       58.8       91.0
    5   1   1   1  8.703  17.405   0.098   84.42    4       19.4        9.5
    6   4   0   0  9.321  18.642   0.105   73.31    2       77.8       66.3
    7   0   2   0  9.514  19.029   0.107   70.27    2       45.2       21.5
    8   2   2   0 10.607  21.214   0.119   56.12    4       44.7       33.6
    9   3   1  -1 10.655  21.31    0.12    55.6     4       41.7       29.0
   10   3   1   1 11.078  22.157   0.125   51.27    4       13.8        2.9
   11   0   2   1 11.724  23.448   0.132   45.55    4      151.8      313.6
   12   2   2  -1 12.512  25.025   0.141   39.74    4       70.1       58.3
   13   5   1   0 12.631  25.263   0.142   38.96    4        0.0        0.0
   14   2   2   1 12.757  25.514   0.143   38.15    4      105.6      127.3
   15   4   2   0 13.381  26.761   0.15    34.5     4       57.7       34.3
   16   0   0   2 13.672  27.345   0.153   32.95    2       61.1       18.4
   17   6   0   0 14.061  28.121   0.158   31.05    2      559.9     1454.6
   18   5   1  -1 14.119  28.239   0.158   30.78    4       95.2       83.3
   19   2   0  -2 14.252  28.503   0.16    30.17    2       95.2       40.8
   20   1   3   0 14.55   29.1     0.163   28.87    4      190.8      313.9
   21   1   1  -2 14.587  29.174   0.163   28.71    4      162.1      225.6
   22   5   1   1 14.662  29.324   0.164   28.4     4       10.7        1.0
   23   2   0   2 14.684  29.367   0.165   28.31    2      218.9      202.8
   24   1   1   2 14.8    29.6     0.166   27.83    4      338.4      952.7
   25   4   2  -1 14.852  29.704   0.166   27.63    4       92.6       70.8
   26   4   2   1 15.268  30.536   0.171   26.04    4       18.3        2.6
   27   3   1  -2 15.864  31.728   0.177   23.98    4       16.5        2.0
   28   3   3   0 16.028  32.055   0.179   23.45    4      312.1      682.7
   29   1   3  -1 16.07   32.141   0.18    23.32    4       58.3       23.7
   30   1   3   1 16.168  32.336   0.181   23.01    4      116.2       92.9
   31   4   0  -2 16.266  32.532   0.182   22.72    2      110.5       41.5
   32   3   1   2 16.45   32.9     0.184   22.17    4      159.7      168.9
   33   0   2   2 16.764  33.528   0.187   21.28    4       82.8       43.6
   34   4   0   2 17.028  34.055   0.19    20.57    2      152.4       71.4
   35   6   2   0 17.088  34.177   0.191   20.41    4       21.0        2.7
   36   7   1   0 17.172  34.344   0.192   20.19    4       44.0       11.7
   37   2   2  -2 17.249  34.498   0.192   20.0     4      236.8      335.2
   38   3   3  -1 17.34   34.681   0.193   19.77    4      244.2      352.4
   39   3   3   1 17.614  35.228   0.196   19.1     4       43.1       10.6
   40   2   2   2 17.615  35.229   0.196   19.1     4       55.3       17.5
   41   6   2  -1 18.202  36.405   0.203   17.78    4       89.9       42.9
   42   7   1  -1 18.238  36.476   0.203   17.7     4       97.2       50.0
   43   5   1  -2 18.352  36.704   0.204   17.46    4      153.5      122.9
   44   5   3   0 18.669  37.338   0.208   16.81    4      161.7      131.4
   45   6   2   1 18.724  37.448   0.208   16.7     4       46.5       10.8
   46   7   1   1 18.844  37.688   0.21    16.47    4       80.9       32.2
   47   8   0   0 18.901  37.801   0.21    16.36    2        4.6        0.1
   48   4   2  -2 18.98   37.96    0.211   16.21    4      227.0      249.7
   49   5   1   2 19.209  38.418   0.214   15.79    4       95.3       42.9
   50   0   4   0 19.305  38.609   0.215   15.61    2       65.1        9.9
   51   6   0  -2 19.317  38.634   0.215   15.59    2        4.1        0.0
   52   4   2   2 19.649  39.299   0.218   15.01    4       92.1       38.1
   53   5   3  -1 19.747  39.494   0.219   14.85    4       27.4        3.3
   54   2   4   0 19.899  39.798   0.221   14.6     4      156.8      107.2
   55   1   3  -2 20.098  40.195   0.223   14.28    4      101.9       44.3
   56   5   3   1 20.154  40.308   0.224   14.19    4       32.5        4.5
   57   1   3   2 20.259  40.518   0.225   14.03    4       21.9        2.0
   58   6   0   2 20.3    40.6     0.225   13.97    2       27.1        1.5
   59   0   4   1 20.554  41.107   0.228   13.58    4      250.8      255.5
   60   2   4  -1 21.041  42.082   0.233   12.89    4       32.6        4.1
   61   3   3  -2 21.08   42.161   0.233   12.84    4       14.1        0.8
   62   2   4   1 21.196  42.393   0.235   12.68    4       72.6       20.0
   63   8   2   0 21.326  42.651   0.236   12.51    4       16.5        1.0
   64   1   1  -3 21.373  42.745   0.237   12.45    4      201.1      150.4
   65   3   3   2 21.543  43.086   0.238   12.23    4       46.4        7.9
   66   4   4   0 21.601  43.201   0.239   12.15    4       54.4       10.8
   67   1   1   3 21.603  43.205   0.239   12.15    4       66.0       15.8
   68   7   1  -2 21.695  43.391   0.24    12.03    4      162.6       95.1
   69   6   2  -2 21.703  43.406   0.24    12.02    4        1.8        0.0
   70   9   1   0 21.942  43.885   0.243   11.73    4      155.4       84.6
   71   7   3   0 22.122  44.244   0.244   11.52    4      138.6       66.1
   72   8   2  -1 22.184  44.369   0.245   11.45    4      191.3      125.1
   73   3   1  -3 22.235  44.47    0.246   11.39    4       95.7       31.2
   74   4   4  -1 22.599  45.198   0.249   10.98    4      144.2       68.2
   75   6   2   2 22.6    45.201   0.249   10.98    4       64.6       13.7
   76   7   1   2 22.74   45.48    0.251   10.82    4      336.1      365.4
   77   9   1  -1 22.746  45.492   0.251   10.82    4      150.8       73.5
   78   8   2   1 22.776  45.552   0.251   10.79    4      100.8       32.8
   79   4   4   1 22.892  45.784   0.253   10.66    4       57.4       10.5
   80   3   1   3 22.898  45.797   0.253   10.66    4      128.1       52.3
   81   7   3  -1 22.994  45.987   0.254   10.56    4       23.2        1.7
   82   0   2   3 23.029  46.057   0.254   10.52    4       21.9        1.5
   83   8   0  -2 23.067  46.133   0.254   10.48    2       88.8       12.3
   84   5   3  -2 23.088  46.176   0.255   10.46    4        9.6        0.3
   85   2   2  -3 23.331  46.663   0.257   10.21    4      141.3       61.0
   86   9   1   1 23.398  46.796   0.258   10.15    4       84.1       21.5
   87   7   3   1 23.498  46.996   0.259   10.05    4      145.2       63.4
   88   2   2   3 23.759  47.519   0.262    9.8     4      133.6       52.3
   89   5   3   2 23.803  47.607   0.262    9.76    4       69.6       14.1
   90  10   0   0 23.886  47.771   0.263    9.68    2       39.1        2.2
   91   0   4   2 23.979  47.958   0.264    9.6     4      129.2       47.9
   92   5   1  -3 24.097  48.193   0.265    9.49    4       32.6        3.0
   93   8   0   2 24.204  48.409   0.266    9.4     2      172.7       41.9
   94   6   4   0 24.221  48.443   0.266    9.38    4       77.9       17.0
   95   2   4  -2 24.342  48.684   0.268    9.28    4      138.6       53.3
   96   1   5   0 24.533  49.066   0.27     9.11    4       27.9        2.1
   97   2   4   2 24.619  49.238   0.27     9.04    4      210.7      119.9
   98   4   2  -3 24.638  49.276   0.271    9.02    4       65.2       11.5
   99   6   4  -1 25.07   50.141   0.275    8.67    4      154.2       61.6
  100   5   1   3 25.131  50.263   0.276    8.63    4       81.0       16.9
  101   8   2  -2 25.166  50.332   0.276    8.6     4      265.6      181.3
  102   4   2   3 25.455  50.911   0.279    8.38    4       28.9        2.1
  103   6   4   1 25.476  50.952   0.279    8.36    4       94.8       22.5
  104   3   5   0 25.514  51.027   0.28     8.34    4       78.0       15.2
  105   1   5  -1 25.543  51.085   0.28     8.31    4      196.9       96.3
  106   1   5   1 25.61   51.219   0.281    8.26    4      173.8       74.6
  107   9   1  -2 25.644  51.288   0.281    8.24    4        1.5        0.0
  108   1   3  -3 25.656  51.311   0.281    8.23    4      123.9       37.8
  109   4   4  -2 25.677  51.354   0.281    8.21    4      118.9       34.7
  110   1   3   3 25.856  51.712   0.283    8.09    4      172.3       71.7
  111  10   2   0 25.935  51.87    0.284    8.03    4       13.3        0.4
  112   7   3  -2 25.937  51.874   0.284    8.03    4      114.6       31.5
  113   9   3   0 26.153  52.306   0.286    7.88    4      306.8      221.6
  114   4   4   2 26.208  52.416   0.287    7.84    4      156.1       57.1
  115   8   2   2 26.235  52.471   0.287    7.82    4      103.3       25.0
  116   3   3  -3 26.41   52.82    0.289    7.7     4       34.2        2.7
  117   3   5  -1 26.43   52.861   0.289    7.69    4       87.5       17.6
  118  10   2  -1 26.614  53.228   0.291    7.57    4       18.1        0.7
  119   3   5   1 26.626  53.253   0.291    7.56    4       74.8       12.6
  120   7   1  -3 26.801  53.602   0.293    7.45    4       82.2       15.1
  121   9   1   2 26.83   53.66    0.293    7.43    4      101.6       22.9
  122   6   2  -3 26.84   53.68    0.293    7.43    4       19.5        0.8
  123   7   3   2 26.855  53.71    0.293    7.42    4       46.7        4.8
  124   9   3  -1 26.861  53.721   0.293    7.41    4      205.1       93.2
  125  11   1   0 26.937  53.873   0.294    7.37    4       71.3       11.2
  126   3   3   3 26.995  53.991   0.295    7.33    4       93.4       19.1
  127  10   2   1 27.261  54.522   0.297    7.17    4      162.2       56.4
  128  10   0  -2 27.324  54.649   0.298    7.13    2      104.4       11.6
  129   5   5   0 27.398  54.796   0.299    7.09    4       18.4        0.7
  130   9   3   1 27.44   54.879   0.299    7.06    4       38.9        3.2
  131  11   1  -1 27.567  55.134   0.3      6.99    4       40.6        3.4
  132   8   4   0 27.571  55.141   0.3      6.99    4       65.5        9.0
  133   6   4  -2 27.883  55.766   0.304    6.81    4       70.3       10.1
  134   6   2   3 27.99   55.98    0.305    6.75    4       27.2        1.5
  135   5   3  -3 28.064  56.129   0.305    6.71    4       73.4       10.8
  136   7   1   3 28.141  56.282   0.306    6.67    4      115.6       26.6
  137   5   5  -1 28.21   56.419   0.307    6.63    4       95.4       18.0
  138   0   0   4 28.212  56.424   0.307    6.63    2      176.4       30.8
  139  11   1   1 28.261  56.523   0.307    6.6     4       11.6        0.3
  140   8   4  -1 28.285  56.57    0.308    6.59    4      113.7       25.5
  141   2   0  -4 28.412  56.824   0.309    6.53    2       60.8        3.6
  142   1   5  -2 28.479  56.957   0.31     6.49    4      164.0       52.2
  143   5   5   1 28.522  57.044   0.31     6.47    4      142.2       39.1
  144  10   0   2 28.586  57.172   0.311    6.44    2      224.0       48.3
  145   1   5   2 28.603  57.206   0.311    6.43    4       69.2        9.2
  146   6   4   2 28.635  57.269   0.311    6.41    4      148.7       42.4
  147   1   1  -4 28.667  57.334   0.311    6.4     4      183.1       64.1
  148   8   4   1 28.783  57.566   0.313    6.34    4        0.7        0.0
  149   2   0   4 28.908  57.817   0.314    6.28    2      302.2       85.6
  150   1   1   4 28.914  57.829   0.314    6.27    4       71.3        9.5
  151   0   4   3 28.997  57.995   0.315    6.23    4      184.0       63.1
  152   5   3   3 28.998  57.996   0.315    6.23    4       61.9        7.1
  153  12   0   0 29.071  58.142   0.315    6.2     2      272.7       68.9
  154  10   2  -2 29.202  58.403   0.317    6.13    4      247.8      112.6
  155   3   5  -2 29.244  58.488   0.317    6.11    4       29.5        1.6
  156   2   4  -3 29.255  58.51    0.317    6.11    4      136.6       34.1
  157   3   1  -4 29.307  58.614   0.318    6.08    4       67.7        8.3
  158   9   3  -2 29.464  58.928   0.319    6.01    4       10.5        0.2
  159   4   0  -4 29.496  58.992   0.32     6.0     2      275.8       68.2
  160   3   5   2 29.61   59.22    0.321    5.95    4       30.2        1.6
  161   2   4   3 29.621  59.242   0.321    5.94    4      138.3       33.9
  162   0   6   0 29.728  59.457   0.322    5.89    2       19.4        0.3
  163   8   2  -3 29.803  59.605   0.323    5.86    4      135.3       32.0
  164   3   1   4 30.036  60.071   0.325    5.76    4       32.8        1.8
  165   0   2   4 30.053  60.106   0.325    5.75    4       42.2        3.1
  166  11   1  -2 30.07   60.14    0.325    5.74    4      226.4       88.0
  167   7   5   0 30.073  60.146   0.325    5.74    4        2.6        0.0
  168   2   6   0 30.163  60.325   0.326    5.7     4       34.6        2.0
  169   9   1  -3 30.2    60.401   0.327    5.69    4       14.0        0.3
  170   2   2  -4 30.245  60.491   0.327    5.67    4       23.1        0.9
  171   4   4  -3 30.38   60.76    0.328    5.61    4       46.5        3.6
  172  10   2   2 30.413  60.825   0.329    5.6     4      201.6       68.0
  173   4   0   4 30.462  60.923   0.329    5.58    2       16.0        0.2
  174   7   3  -3 30.523  61.046   0.33     5.56    4      120.0       23.9
  175   9   3   2 30.55   61.099   0.33     5.54    4       50.6        4.2
  176  11   3   0 30.648  61.296   0.331    5.5     4      166.3       45.5
  177   0   6   1 30.649  61.298   0.331    5.5     4       68.9        7.8
  178   2   2   4 30.723  61.446   0.332    5.48    4       88.1       12.7
  179   7   5  -1 30.78   61.56    0.332    5.45    4      190.6       59.2
  180   5   1  -4 30.8    61.599   0.332    5.44    4       69.1        7.8
  181   8   4  -2 30.84   61.68    0.333    5.43    4       81.7       10.8
  182   5   5  -2 30.857  61.715   0.333    5.42    4       86.1       12.0
  183  12   2   0 30.88   61.76    0.333    5.41    4       64.7        6.8
  184   2   6  -1 31.017  62.033   0.334    5.36    4       16.7        0.4
  185   4   4   3 31.093  62.187   0.335    5.33    4      119.8       22.9
  186   2   6   1 31.135  62.269   0.336    5.32    4      147.0       34.3
  187   7   5   1 31.194  62.389   0.336    5.29    4      113.0       20.2
  188  11   3  -1 31.23   62.46    0.337    5.28    4       70.5        7.8
  189   8   2   3 31.236  62.471   0.337    5.28    4       58.5        5.4
  190   4   2  -4 31.29   62.58    0.337    5.26    4       98.0       15.1
  191  11   1   2 31.378  62.757   0.338    5.23    4       47.9        3.6
  192   6   0  -4 31.407  62.815   0.338    5.22    2      134.2       14.0
  193  12   2  -1 31.43   62.86    0.338    5.21    4       69.6        7.5
  194   4   6   0 31.444  62.888   0.339    5.2     4        2.6        0.0
  195   5   5   2 31.447  62.895   0.339    5.2     4      101.7       16.1
  196  10   4   0 31.515  63.031   0.339    5.18    4       54.4        4.6
  197   7   3   3 31.762  63.525   0.342    5.09    4      162.6       40.2
  198   8   4   2 31.781  63.562   0.342    5.08    4      185.4       52.2
  199   9   1   3 31.798  63.596   0.342    5.08    4      129.3       25.4
  200  11   3   1 31.874  63.748   0.343    5.05    4       41.1        2.6
  201   5   1   4 31.975  63.949   0.344    5.01    4       57.1        4.9
  202  12   0  -2 32.013  64.027   0.344    5.0     2       11.6        0.1
  203  10   4  -1 32.117  64.234   0.345    4.97    4      178.7       47.4
  204  12   2   1 32.13   64.26    0.345    4.96    4        6.2        0.1
  205  13   1   0 32.197  64.394   0.346    4.94    4        2.3        0.0
  206   4   6  -1 32.221  64.441   0.346    4.93    4      171.6       43.4
  207   4   2   4 32.224  64.448   0.346    4.93    4       52.1        4.0
  208   1   3  -4 32.252  64.504   0.346    4.92    4      248.6       90.9
  209   6   4  -3 32.318  64.636   0.347    4.9     4       91.9       12.4
  210   4   6   1 32.452  64.904   0.348    4.86    4       39.9        2.3
  211   1   3   4 32.483  64.966   0.349    4.85    4        2.1        0.0
  212  10   4   1 32.694  65.389   0.351    4.78    4      117.5       19.7
  213  13   1  -1 32.706  65.412   0.351    4.78    4       47.1        3.2
  214   6   0   4 32.8    65.6     0.352    4.75    2      187.2       24.8
  215   3   3  -4 32.85   65.7     0.352    4.73    4      220.9       69.0
  216   1   5  -3 33.007  66.015   0.354    4.68    4      104.1       15.2
  217   7   1  -4 33.079  66.157   0.354    4.66    4      142.8       28.4
  218   6   2  -4 33.141  66.283   0.355    4.64    4       63.4        5.6
  219   1   5   3 33.179  66.357   0.355    4.63    4       10.2        0.1
  220   7   5  -2 33.248  66.496   0.356    4.61    4      102.2       14.4
  221   0   6   2 33.322  66.644   0.357    4.59    4       16.7        0.4
  222   6   4   3 33.35   66.7     0.357    4.58    4      188.8       48.8
  223  12   0   2 33.392  66.784   0.357    4.57    2       20.7        0.3
  224  10   2  -3 33.417  66.835   0.357    4.56    4       45.4        2.8
  225   9   5   0 33.434  66.867   0.358    4.56    4       94.8       12.2
  226  13   1   1 33.448  66.897   0.358    4.55    4       22.5        0.7
  227   6   6   0 33.518  67.037   0.358    4.53    4      107.8       15.7
  228   3   3   4 33.534  67.068   0.359    4.53    4      134.4       24.4
  229  11   3  -2 33.566  67.133   0.359    4.52    4       16.1        0.3
  230   2   6  -2 33.617  67.233   0.359    4.5     4      164.7       36.5
  231   3   5  -3 33.655  67.31    0.36     4.49    4      175.6       41.4
  232   9   3  -3 33.689  67.379   0.36     4.48    4       49.1        3.2
  233  12   2  -2 33.731  67.461   0.36     4.47    4       49.4        3.3
  234   2   6   2 33.843  67.686   0.362    4.44    4       93.7       11.6
  235   7   5   2 34.041  68.082   0.363    4.39    4       35.0        1.6
  236   9   5  -1 34.046  68.091   0.363    4.39    4       59.8        4.7
  237   8   0  -4 34.07   68.139   0.364    4.38    2       54.9        2.0
  238   3   5   3 34.163  68.326   0.365    4.36    4      133.5       23.2
  239  11   1  -3 34.196  68.393   0.365    4.35    4       10.8        0.2
  240   6   6  -1 34.214  68.428   0.365    4.34    4       45.9        2.7
  241   5   3  -4 34.255  68.51    0.365    4.33    4       49.1        3.1
  242  10   4  -2 34.45   68.9     0.367    4.28    4       96.2       11.8
  243   6   2   4 34.497  68.994   0.368    4.27    4       11.2        0.2
  244  14   0   0 34.533  69.065   0.368    4.26    2       75.5        3.6
  245   6   6   1 34.55   69.1     0.368    4.26    4       63.1        5.1
  246   9   5   1 34.551  69.101   0.368    4.26    4      136.9       23.8
  247   7   1   4 34.659  69.319   0.369    4.23    4       16.3        0.3
  248   4   6  -2 34.717  69.435   0.37     4.21    4      100.3       12.7
  249  11   3   2 34.803  69.606   0.37     4.19    4       26.6        0.9
  250  13   1  -2 34.935  69.871   0.372    4.16    4      214.8       57.4
  251   8   4  -3 35.0    70.0     0.372    4.14    4       75.2        7.0
  252  12   2   2 35.075  70.151   0.373    4.13    4      153.6       29.1
  253   5   5  -3 35.1    70.199   0.373    4.12    4       36.2        1.6
  254  10   2   3 35.102  70.204   0.373    4.12    4       17.7        0.4
  255   4   6   2 35.162  70.325   0.374    4.11    4      158.8       31.0
  256   9   3   3 35.201  70.403   0.374    4.1     4       79.8        7.8
  257   0   4   4 35.23   70.461   0.374    4.09    4       22.6        0.6
  258   5   3   4 35.369  70.739   0.376    4.06    4      197.5       47.3
  259   2   4  -4 35.407  70.814   0.376    4.05    4       93.1       10.5
  260   1   7   0 35.447  70.894   0.376    4.04    4       41.2        2.0
  261  10   4   2 35.562  71.123   0.378    4.01    4       73.0        6.4
  262  13   3   0 35.581  71.163   0.378    4.01    4        6.3        0.0
  263   8   2  -4 35.738  71.476   0.379    3.98    4       43.0        2.2
  264   2   4   4 35.848  71.697   0.38     3.95    4        0.4        0.0
  265   8   0   4 35.85   71.7     0.38     3.95    2      358.4       75.9
  266   5   5   3 35.928  71.857   0.381    3.93    4       45.2        2.4
  267  12   4   0 35.994  71.987   0.381    3.92    4       37.5        1.6
  268  11   1   3 36.029  72.057   0.382    3.91    4       18.4        0.4
  269  13   3  -1 36.067  72.133   0.382    3.91    4       85.4        8.5
  270   9   1  -4 36.073  72.146   0.382    3.9     4       26.6        0.8
  271  14   2   0 36.191  72.383   0.383    3.88    4       80.9        7.6
  272   3   7   0 36.239  72.478   0.384    3.87    4      161.8       30.3
  273   1   7  -1 36.263  72.525   0.384    3.86    4      174.2       35.1
  274   1   7   1 36.317  72.635   0.384    3.85    4       14.8        0.3
  275   8   6   0 36.321  72.643   0.384    3.85    4      153.4       27.1
  276   8   4   3 36.323  72.647   0.384    3.85    4      147.7       25.1
  277   9   5  -2 36.345  72.691   0.385    3.85    4       68.3        5.4
  278  13   1   2 36.369  72.739   0.385    3.84    4      199.7       45.8
  279   4   4  -4 36.374  72.748   0.385    3.84    4       31.8        1.2
  280   7   3  -4 36.423  72.846   0.385    3.83    4      162.1       30.1
  281  12   4  -1 36.504  73.008   0.386    3.82    4      151.4       26.2
  282   6   6  -2 36.591  73.181   0.387    3.8     4       34.5        1.3
  283   1   1  -5 36.594  73.188   0.387    3.8     4        4.8        0.0
  284  14   2  -1 36.646  73.293   0.387    3.79    4       82.8        7.8
  285  13   3   1 36.777  73.555   0.389    3.76    4      119.9       16.2
  286   1   1   5 36.866  73.733   0.389    3.75    4        6.9        0.1
  287   8   6  -1 36.939  73.878   0.39     3.73    4       21.3        0.5
  288   3   7  -1 36.993  73.986   0.391    3.72    4       94.5        9.9
  289   3   1  -5 37.105  74.209   0.392    3.7     4        5.3        0.0
  290  14   0  -2 37.135  74.271   0.392    3.69    2       72.7        2.9
  291   3   7   1 37.156  74.311   0.392    3.69    4        1.0        0.0
  292  12   4   1 37.157  74.315   0.392    3.69    4       20.8        0.5
  293   6   6   2 37.243  74.487   0.393    3.67    4       69.3        5.3
  294   4   4   4 37.245  74.49    0.393    3.67    4       59.5        3.9
  295   7   5  -3 37.301  74.602   0.393    3.66    4       36.4        1.4
  296   9   5   2 37.325  74.65    0.394    3.66    4       82.7        7.5
  297   8   6   1 37.373  74.746   0.394    3.65    4      159.4       27.7
  298  14   2   1 37.407  74.814   0.394    3.65    4       99.9       10.9
  299  11   5   0 37.415  74.829   0.394    3.64    4        3.2        0.0
  300  10   0  -4 37.418  74.835   0.394    3.64    2      331.9       60.0
  301   8   2   4 37.484  74.968   0.395    3.63    4       50.0        2.7
  302  11   3  -3 37.496  74.992   0.395    3.63    4      137.9       20.6
  303   0   6   3 37.561  75.121   0.396    3.62    4      227.6       56.0
  304  12   2  -3 37.626  75.252   0.396    3.61    4       35.8        1.4
  305   2   6  -3 37.787  75.574   0.398    3.58    4       56.8        3.4
  306   5   7   0 37.802  75.604   0.398    3.58    4       50.1        2.7
  307  15   1   0 37.804  75.608   0.398    3.58    4       46.3        2.3
  308   0   2   5 37.851  75.702   0.398    3.57    4       78.1        6.5
  309   3   1   5 37.916  75.832   0.399    3.56    4       83.1        7.3
  310   7   3   4 37.942  75.884   0.399    3.55    4        4.8        0.0
  311  11   5  -1 37.945  75.89    0.399    3.55    4       28.7        0.9
  312   2   2  -5 37.969  75.938   0.399    3.55    4       55.7        3.3
  313   9   1   4 38.029  76.058   0.4      3.54    4       13.0        0.2
  314   6   4  -4 38.107  76.214   0.401    3.53    4       44.2        2.1
  315   2   6   3 38.11   76.221   0.401    3.53    4       61.8        4.0
  316  13   3  -2 38.209  76.417   0.401    3.51    4       45.6        2.2
  317  15   1  -1 38.225  76.45    0.402    3.51    4       98.8       10.2
  318  10   4  -3 38.368  76.736   0.403    3.48    4       87.1        7.9
  319   5   1  -5 38.388  76.775   0.403    3.48    4        4.5        0.0
  320   7   5   3 38.433  76.866   0.403    3.47    4       72.3        5.4
  321   5   7  -1 38.492  76.983   0.404    3.47    4       31.8        1.0
  322   2   2   5 38.506  77.012   0.404    3.46    4      123.6       15.8
  323  11   5   1 38.536  77.072   0.404    3.46    4      219.8       49.9
  324  14   0   2 38.645  77.289   0.405    3.44    2       95.9        4.7
  325  12   4  -2 38.664  77.328   0.406    3.44    4       43.8        2.0
  326   1   7  -2 38.722  77.444   0.406    3.43    4       94.3        9.1
  327  14   2  -2 38.75   77.5     0.406    3.43    4      139.0       19.8
  328  13   1  -3 38.754  77.507   0.406    3.43    4       10.3        0.1
  329   5   7   1 38.759  77.519   0.406    3.42    4       91.8        8.6
  330   4   6  -3 38.785  77.57    0.407    3.42    4       10.8        0.1
  331   1   7   2 38.829  77.658   0.407    3.41    4       34.2        1.2
  332   4   2  -5 38.858  77.717   0.407    3.41    4      117.7       14.1
  333   1   5  -4 38.884  77.768   0.407    3.41    4       85.1        7.4
  334  10   2  -4 39.028  78.056   0.409    3.39    4      103.4       10.8
  335  15   1   1 39.029  78.057   0.409    3.39    4       22.3        0.5
  336   1   5   4 39.098  78.195   0.409    3.38    4       59.6        3.6
  337   8   6  -2 39.197  78.394   0.41     3.36    4      159.0       25.4
  338  11   3   3 39.267  78.535   0.411    3.35    4      109.0       11.9
  339   9   3  -4 39.31   78.621   0.411    3.35    4      216.7       47.0
  340   3   7  -2 39.383  78.766   0.412    3.34    4       77.5        6.0
  341   6   4   4 39.391  78.783   0.412    3.33    4       27.9        0.8
  342   4   6   3 39.425  78.851   0.412    3.33    4        6.7        0.0
  343   3   5  -4 39.438  78.876   0.412    3.33    4       45.8        2.1
  344  12   2   3 39.555  79.11    0.413    3.31    4       15.7        0.2
  345  10   0   4 39.563  79.125   0.413    3.31    2       49.4        1.2
  346  13   3   2 39.598  79.197   0.414    3.31    4       22.0        0.5
  347   3   7   2 39.702  79.405   0.415    3.29    4       12.4        0.2
  348   5   1   5 39.722  79.445   0.415    3.29    4       57.1        3.2
  349  11   1  -4 39.736  79.472   0.415    3.29    4       35.8        1.3
  350  10   6   0 39.807  79.614   0.416    3.28    4       35.8        1.3
  351   1   3  -5 39.817  79.633   0.416    3.28    4      137.8       18.6
  352   4   2   5 39.924  79.847   0.417    3.26    4       61.3        3.7
  353  12   4   2 39.943  79.886   0.417    3.26    4      105.0       10.8
  354  10   4   3 39.968  79.936   0.417    3.26    4      142.3       19.7
  355   8   6   2 40.048  80.096   0.418    3.25    4       64.7        4.1
  356   3   5   4 40.076  80.151   0.418    3.25    4       34.6        1.2
  357   1   3   5 40.082  80.164   0.418    3.24    4        1.7        0.0
  358  11   5  -2 40.106  80.211   0.418    3.24    4       52.2        2.6
  359   7   7   0 40.109  80.217   0.418    3.24    4        8.3        0.1
  360   9   5  -3 40.221  80.441   0.419    3.23    4      103.5       10.3
  361  14   2   2 40.24   80.48    0.419    3.23    4       52.1        2.6
  362  15   1  -2 40.276  80.552   0.42     3.22    4       34.2        1.1
  363   3   3  -5 40.314  80.629   0.42     3.22    4       17.3        0.3
  364  10   6  -1 40.354  80.708   0.42     3.21    4      212.0       43.1
  365  16   0   0 40.38   80.761   0.421    3.21    2        3.7        0.0
  366   7   1  -5 40.42   80.84    0.421    3.2     4       16.4        0.3
  367   6   2  -5 40.505  81.009   0.422    3.19    4        4.5        0.0
  368   6   6  -3 40.538  81.075   0.422    3.19    4      164.5       25.8
  369   8   4  -4 40.577  81.155   0.422    3.19    4      124.8       14.8
  370   7   7  -1 40.734  81.468   0.424    3.17    4      148.5       20.9
  371   5   5  -4 40.751  81.503   0.424    3.17    4       38.9        1.4
  372   5   7  -2 40.803  81.605   0.424    3.16    4       20.9        0.4
  373  13   1   3 40.826  81.651   0.424    3.16    4       92.6        8.1
  374  10   6   1 40.883  81.765   0.425    3.15    4       82.0        6.3
  375  15   3   0 40.998  81.995   0.426    3.14    4      191.7       34.5
  376  14   4   0 41.013  82.026   0.426    3.14    4       14.8        0.2
  377   7   7   1 41.103  82.207   0.427    3.13    4       10.0        0.1
  378   3   3   5 41.107  82.214   0.427    3.13    4       23.6        0.5
  379  10   2   4 41.149  82.298   0.427    3.12    4       56.0        2.9
  380   9   3   4 41.217  82.435   0.428    3.12    4      117.2       12.8
  381  11   5   2 41.268  82.536   0.428    3.11    4       42.6        1.7
  382   5   7   2 41.33   82.66    0.429    3.1     4       59.7        3.3
  383   0   8   0 41.39   82.781   0.429    3.1     2      121.6        6.8
  384  15   3  -1 41.41   82.82    0.429    3.1     4      123.4       14.1
  385  12   0  -4 41.421  82.842   0.429    3.09    2      186.1       16.0
  386  14   4  -1 41.452  82.903   0.43     3.09    4       27.4        0.7
  387   6   6   3 41.487  82.974   0.43     3.09    4      149.6       20.7
  388   5   3  -5 41.569  83.138   0.431    3.08    4       77.2        5.5
  389   9   5   3 41.646  83.291   0.431    3.07    4       72.6        4.8
  390   2   8   0 41.769  83.537   0.432    3.06    4      100.5        9.2
  391   5   5   4 41.805  83.61    0.433    3.06    4       20.9        0.4
  392  15   1   2 41.858  83.716   0.433    3.05    4       56.8        2.9
  393  13   3  -3 41.928  83.856   0.434    3.04    4        7.2        0.0
  394  16   2   0 41.96   83.92    0.434    3.04    4       36.0        1.2
  395  13   5   0 42.007  84.013   0.434    3.04    4        6.8        0.0
  396  11   1   4 42.059  84.117   0.435    3.03    4       80.8        5.9
  397   6   2   5 42.085  84.17    0.435    3.03    4       85.2        6.6
  398  14   4   1 42.187  84.375   0.436    3.02    4       10.5        0.1
  399   0   8   1 42.196  84.391   0.436    3.02    4        3.5        0.0
  400  15   3   1 42.198  84.396   0.436    3.02    4       45.8        1.9
  401   8   4   4 42.262  84.525   0.437    3.01    4       29.5        0.8
  402   7   1   5 42.264  84.527   0.437    3.01    4       49.1        2.2
  403  16   2  -1 42.344  84.689   0.437    3.01    4       56.5        2.9
  404  12   4  -3 42.4    84.8     0.438    3.0     4       79.4        5.7
  405  14   2  -3 42.432  84.863   0.438    3.0     4      106.5       10.2
  406  13   5  -1 42.469  84.939   0.438    3.0     4       97.2        8.5
  407  10   6  -2 42.511  85.022   0.439    2.99    4       63.4        3.6
  408   2   8  -1 42.521  85.041   0.439    2.99    4       14.8        0.2
  409   0   4   5 42.618  85.237   0.44     2.98    4       91.8        7.5
  410   2   8   1 42.625  85.251   0.44     2.98    4      198.2       35.0
  411   2   4  -5 42.733  85.467   0.44     2.98    4       42.3        1.6
  412   1   7  -3 42.745  85.49    0.441    2.97    4       21.9        0.4
  413  16   0  -2 42.763  85.527   0.441    2.97    2       85.5        3.2
  414   7   5  -4 42.81   85.621   0.441    2.97    4       54.3        2.6
  415   5   3   5 42.881  85.762   0.442    2.96    4       85.0        6.4
  416   8   2  -5 42.89   85.78    0.442    2.96    4       46.7        1.9
  417  11   3  -4 42.894  85.789   0.442    2.96    4       39.4        1.4
  418   4   8   0 42.901  85.802   0.442    2.96    4       81.9        5.9
  419   1   7   3 42.902  85.805   0.442    2.96    4       68.2        4.1
  420   7   7  -2 42.966  85.932   0.442    2.96    4      112.1       11.1
  421  12   2  -4 42.994  85.988   0.443    2.95    4       47.4        2.0
  422   8   6  -3 43.028  86.055   0.443    2.95    4       46.0        1.9
  423   9   7   0 43.137  86.274   0.444    2.94    4      158.6       22.1
  424  13   5   1 43.151  86.301   0.444    2.94    4      147.9       19.2
  425  16   2   1 43.183  86.366   0.444    2.94    4      183.9       29.7
  426   9   1  -5 43.183  86.366   0.444    2.94    4       10.9        0.1
  427   0   6   4 43.245  86.49    0.445    2.94    4      160.7       22.7
  428   2   4   5 43.257  86.514   0.445    2.93    4        9.9        0.1
  429   3   7  -3 43.341  86.683   0.446    2.93    4      136.1       16.2
  430   2   6  -4 43.412  86.824   0.446    2.92    4       15.3        0.2
  431  15   3  -2 43.427  86.855   0.446    2.92    4       21.7        0.4
  432  14   4  -2 43.495  86.99    0.447    2.92    4       65.2        3.7
  433  10   6   2 43.558  87.116   0.447    2.91    4      154.1       20.7
  434   7   3  -5 43.57   87.14    0.447    2.91    4      126.9       14.0
  435   4   8  -1 43.598  87.196   0.448    2.91    4       83.8        6.1
  436   4   4  -5 43.601  87.203   0.448    2.91    4       74.6        4.8
  437   7   7   2 43.699  87.397   0.448    2.9     4       38.0        1.3
  438   9   7  -1 43.703  87.406   0.448    2.9     4       84.3        6.2
  439  10   4  -4 43.767  87.535   0.449    2.9     4       28.3        0.7
  440   4   8   1 43.807  87.615   0.449    2.9     4       78.5        5.3
  441   3   7   3 43.812  87.624   0.449    2.9     4      154.4       20.6
  442   2   6   4 43.83   87.661   0.45     2.9     4       39.5        1.4
  443  11   5  -3 43.843  87.687   0.45     2.89    4      120.8       12.6
  444  17   1   0 43.891  87.783   0.45     2.89    4       19.4        0.3
  445  15   1  -3 43.907  87.813   0.45     2.89    4       32.7        0.9
  446  12   0   4 43.937  87.875   0.45     2.89    2       47.1        1.0
  447  12   6   0 43.968  87.937   0.451    2.89    4      119.4       12.3
  448  13   3   3 43.971  87.942   0.451    2.89    4        2.0        0.0
  449  13   1  -4 44.065  88.131   0.451    2.88    4       93.2        7.5
  450   9   7   1 44.174  88.347   0.452    2.87    4       39.4        1.3
  451  17   1  -1 44.248  88.496   0.453    2.87    4       13.5        0.2
  452   7   5   4 44.275  88.55    0.453    2.87    4       68.1        4.0
  453   8   6   3 44.283  88.566   0.453    2.87    4       39.0        1.3
  454  12   4   3 44.284  88.568   0.453    2.87    4      162.3       22.6
  455   4   6  -4 44.331  88.662   0.454    2.86    4       57.0        2.8
  456  16   2  -2 44.331  88.662   0.454    2.86    4      130.3       14.5
  457  16   0   2 44.437  88.875   0.454    2.86    2      121.9        6.3
  458  12   6  -1 44.455  88.911   0.455    2.86    4       87.1        6.5
  459  13   5  -2 44.534  89.068   0.455    2.85    4       65.2        3.6
  460   0   8   2 44.601  89.202   0.456    2.85    4       30.0        0.8
  461  14   2   3 44.629  89.258   0.456    2.85    4        3.0        0.0
  462   4   4   5 44.647  89.293   0.456    2.85    4       22.6        0.4
  463   5   7  -3 44.689  89.377   0.456    2.84    4       63.6        3.4
  464   6   8   0 44.782  89.563   0.457    2.84    4       91.7        7.1
  465   2   8  -2 44.872  89.744   0.458    2.83    4        0.4        0.0
  466  14   4   2 44.958  89.917   0.459    2.83    4       92.6        7.3
  467   8   2   5 44.982  89.963   0.459    2.83    4      167.0       23.6
  468  15   3   2 44.995  89.991   0.459    2.83    4       25.9        0.6


  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   2   0   0   4.645   9.29   9.51169     1427.7     98.2     99.4     5.6
    2   1   1   0   5.281  10.561  8.36952       31.7      2.2      2.2     5.6
    3   3   1   0   8.449  16.897  5.24272      494.5     34.0     34.3     5.6
    4   1   1  -1   8.526  17.053  5.19535       91.0      6.3      6.3     5.6
    5   4   0   0   9.321  18.642  4.75585       66.3      4.6      4.6     5.6
    6   0   2   0   9.514  19.029  4.66          21.5      1.5      1.5     5.6
    7   2   2   0  10.607  21.214  4.18476       33.6      2.3      2.3     5.6
    8   3   1  -1  10.655  21.31   4.16601       29.0      2.0      2.0     5.6
    9   0   2   1  11.724  23.448  3.79074      313.6     21.6     21.6     5.6
   10   2   2  -1  12.512  25.025  3.55542       58.3      4.0      4.0     5.6
   11   2   2   1  12.757  25.514  3.48831      127.3      8.8      8.8     5.6
   12   4   2   0  13.381  26.761  3.32849       34.3      2.4      2.4     5.6
   13   0   0   2  13.672  27.345  3.2588        18.4      1.3      1.3     5.6
   14   6   0   0  14.061  28.121  3.17056     1454.6    100.0    100.0     5.6
   15   5   1  -1  14.119  28.239  3.15764       83.3      5.7      5.7     5.6
   16   2   0  -2  14.252  28.503  3.12891       40.8      2.8      2.8     5.6
   17   1   3   0  14.55   29.1    3.06605      313.9     21.6     21.6     5.6
   18   1   1  -2  14.587  29.174  3.05847      225.6     15.5     15.5     5.6
   19   2   0   2  14.684  29.367  3.03882      202.8     13.9     13.9     5.6
   20   1   1   2  14.8    29.6    3.01544      952.7     65.5     65.4     5.6
   21   4   2  -1  14.852  29.704  3.00516       70.8      4.9      4.9     5.6
   22   3   3   0  16.028  32.055  2.78984      682.7     46.9     46.8     5.6
   23   1   3  -1  16.07   32.141  2.78263       23.7      1.6      1.6     5.6
   24   1   3   1  16.168  32.336  2.76623       92.9      6.4      6.4     5.6
   25   4   0  -2  16.266  32.532  2.75001       41.5      2.8      2.8     5.6
   26   3   1   2  16.45   32.9    2.72009      168.9     11.6     11.6     5.6
   27   0   2   2  16.764  33.528  2.67057       43.6      3.0      3.0     5.7
   28   4   0   2  17.028  34.055  2.63046       71.4      4.9      4.9     5.7
   29   2   2  -2  17.249  34.498  2.59768      335.2     23.0     22.9     5.7
   30   3   3  -1  17.34   34.681  2.58442      352.4     24.2     24.1     5.7
   31   2   2   2  17.615  35.229  2.54543       28.1      1.9      1.9     5.7
   32   6   2  -1  18.202  36.405  2.46588       42.9      2.9      2.9     5.7
   33   7   1  -1  18.238  36.476  2.46126       50.0      3.4      3.4     5.7
   34   5   1  -2  18.352  36.704  2.44649      122.9      8.4      8.4     5.7
   35   5   3   0  18.669  37.338  2.40636      131.4      9.0      9.0     5.7
   36   7   1   1  18.844  37.688  2.38479       32.2      2.2      2.2     5.7
   37   4   2  -2  18.98   37.96   2.36837      249.7     17.2     17.0     5.7
   38   5   1   2  19.209  38.418  2.3412        42.9      2.9      2.9     5.7
   39   4   2   2  19.649  39.299  2.29071       38.1      2.6      2.6     5.7
   40   2   4   0  19.899  39.798  2.26309      107.2      7.4      7.3     5.7
   41   1   3  -2  20.098  40.195  2.24166       44.3      3.0      3.0     5.7
   42   0   4   1  20.554  41.107  2.19401      255.5     17.6     17.4     5.7
   43   2   4   1  21.196  42.393  2.13041       20.0      1.4      1.4     5.7
   44   1   1  -3  21.373  42.745  2.11364      150.4     10.3     10.2     5.7
   45   1   1   3  21.603  43.205  2.09221       26.6      1.8      1.8     5.7
   46   7   1  -2  21.695  43.391  2.08369       95.1      6.5      6.4     5.7
   47   9   1   0  21.942  43.885  2.06136       84.6      5.8      5.7     5.7
   48   7   3   0  22.122  44.244  2.04545       66.1      4.5      4.5     5.7
   49   8   2  -1  22.184  44.369  2.03999      125.1      8.6      8.5     5.7
   50   3   1  -3  22.235  44.47   2.03558       31.2      2.1      2.1     5.7
   51   4   4  -1  22.599  45.198  2.0045        81.9      5.6      5.5     5.7
   52   7   1   2  22.74   45.48   1.99271      438.9     30.2     29.7     5.7
   53   8   2   1  22.776  45.552  1.98973       32.8      2.3      2.2     5.7
   54   3   1   3  22.898  45.797  1.97965       62.8      4.3      4.2     5.7
   55   2   2  -3  23.331  46.663  1.94491       61.0      4.2      4.1     5.7
   56   9   1   1  23.398  46.796  1.93967       21.5      1.5      1.4     5.7
   57   7   3   1  23.498  46.996  1.93191       63.4      4.4      4.3     5.7
   58   2   2   3  23.759  47.519  1.91186       52.3      3.6      3.5     5.7
   59   0   4   2  23.979  47.958  1.89537       47.9      3.3      3.2     5.7
   60   8   0   2  24.204  48.409  1.87876       58.9      4.0      4.0     5.7
   61   2   4  -2  24.342  48.684  1.86877       53.3      3.7      3.6     5.7
   62   2   4   2  24.619  49.238  1.84903      131.4      9.0      8.8     5.7
   63   6   4  -1  25.07   50.141  1.81786       61.6      4.2      4.1     5.7
   64   5   1   3  25.131  50.263  1.81373       16.9      1.2      1.1     5.8
   65   8   2  -2  25.166  50.332  1.8114       181.3     12.5     12.2     5.8
   66   6   4   1  25.476  50.952  1.79078       24.6      1.7      1.6     5.8
   67   3   5   0  25.514  51.027  1.78834       15.2      1.0      1.0     5.8
   68   1   5  -1  25.543  51.085  1.78643       96.3      6.6      6.5     5.8
   69   1   5   1  25.61   51.219  1.78207       74.6      5.1      5.0     5.8
   70   1   3  -3  25.656  51.311  1.77909       72.5      5.0      4.9     5.8
   71   1   3   3  25.856  51.712  1.76625       71.7      4.9      4.8     5.8
   72   7   3  -2  25.937  51.874  1.76112       31.5      2.2      2.1     5.8
   73   9   3   0  26.153  52.306  1.74757      221.6     15.2     14.9     5.8
   74   4   4   2  26.208  52.416  1.74416       82.0      5.6      5.5     5.8
   75   3   5  -1  26.43   52.861  1.73054       20.3      1.4      1.4     5.8
   76   9   1   2  26.83   53.66   1.70665       38.0      2.6      2.5     5.8
   77   9   3  -1  26.861  53.721  1.70483       98.0      6.7      6.6     5.8
   78   3   3   3  26.995  53.991  1.69695       19.1      1.3      1.3     5.8
   79  10   2   1  27.261  54.522  1.68168       56.4      3.9      3.8     5.8
   80   7   1   3  28.141  56.282  1.63318       26.6      1.8      1.8     5.8
   81   0   0   4  28.212  56.424  1.6294        48.9      3.4      3.3     5.8
   82   8   4  -1  28.285  56.57   1.62555       25.5      1.8      1.7     5.8
   83   1   5  -2  28.479  56.957  1.61542       52.2      3.6      3.5     5.8
   84   5   5   1  28.522  57.044  1.61316       39.1      2.7      2.6     5.8
   85  10   0   2  28.586  57.172  1.60985       57.4      3.9      3.8     5.8
   86   6   4   2  28.635  57.269  1.60735       42.4      2.9      2.8     5.8
   87   1   1  -4  28.667  57.334  1.6057        64.1      4.4      4.3     5.8
   88   2   0   4  28.908  57.817  1.59342       95.1      6.5      6.3     5.8
   89   0   4   3  28.997  57.995  1.58897       70.2      4.8      4.7     5.8
   90  12   0   0  29.071  58.142  1.58528       68.9      4.7      4.6     5.8
   91  10   2  -2  29.202  58.403  1.57882      112.6      7.7      7.5     5.8
   92   2   4  -3  29.255  58.51   1.5762        35.6      2.5      2.4     5.8
   93   4   0  -4  29.496  58.992  1.56446       68.2      4.7      4.5     5.8
   94   2   4   3  29.621  59.242  1.55845       35.6      2.4      2.4     5.8
   95   8   2  -3  29.803  59.605  1.54982       32.0      2.2      2.1     5.8
   96  11   1  -2  30.07   60.14   1.53732       92.9      6.4      6.2     5.8
   97  10   2   2  30.413  60.825  1.52161       68.0      4.7      4.5     5.8
   98   7   3  -3  30.523  61.046  1.51664       28.2      1.9      1.9     5.8
   99  11   3   0  30.648  61.296  1.51105       53.3      3.7      3.5     5.8
  100   7   5  -1  30.78   61.56   1.50521       67.0      4.6      4.4     5.8
  101   5   5  -2  30.857  61.715  1.50181       29.6      2.0      2.0     5.8
  102   4   4   3  31.093  62.187  1.49154       22.9      1.6      1.5     5.8
  103   2   6   1  31.135  62.269  1.48975       34.3      2.4      2.3     5.8
  104   7   5   1  31.194  62.389  1.48719       20.2      1.4      1.3     5.8
  105   4   2  -4  31.29   62.58   1.48311       15.1      1.0      1.0     5.8
  106   6   0  -4  31.407  62.815  1.47813       17.6      1.2      1.2     5.9
  107   5   5   2  31.447  62.895  1.47644       23.6      1.6      1.6     5.9
  108   8   4   2  31.781  63.562  1.46254      117.8      8.1      7.8     5.9
  109  10   4  -1  32.117  64.234  1.44884       47.4      3.3      3.1     5.9
  110   4   6  -1  32.221  64.441  1.44469       47.4      3.3      3.1     5.9
  111   1   3  -4  32.252  64.504  1.44344       90.9      6.3      6.0     5.9
  112  10   4   1  32.694  65.389  1.42603       22.9      1.6      1.5     5.9
  113   6   0   4  32.8    65.6    1.42195       24.8      1.7      1.6     5.9
  114   3   3  -4  32.85   65.7    1.42002       69.0      4.7      4.5     5.9
  115   1   5  -3  33.007  66.015  1.41402       15.2      1.0      1.0     5.9
  116   7   1  -4  33.079  66.157  1.41131       28.4      2.0      1.9     5.9
  117   6   4   3  33.35   66.7    1.40114       48.8      3.4      3.2     5.9
  118   9   5   0  33.434  66.867  1.39804       15.1      1.0      1.0     5.9
  119   3   3   4  33.534  67.068  1.39434       40.2      2.8      2.6     5.9
  120   2   6  -2  33.617  67.233  1.39132       36.5      2.5      2.4     5.9
  121   3   5  -3  33.655  67.31   1.38991       41.4      2.8      2.7     5.9
  122   3   5   3  34.163  68.326  1.37171       23.2      1.6      1.5     5.9
  123   9   5   1  34.551  69.101  1.3582        32.5      2.2      2.1     5.9
  124  13   1  -2  34.935  69.871  1.34511       57.4      3.9      3.7     5.9
  125  12   2   2  35.075  70.151  1.34042       31.1      2.1      2.0     5.9
  126   4   6   2  35.162  70.325  1.33754       31.0      2.1      2.0     5.9
  127   5   3   4  35.369  70.739  1.33071       47.3      3.3      3.1     5.9
  128   8   0   4  35.85   71.7    1.31523       75.9      5.2      4.9     5.9
  129   1   7  -1  36.263  72.525  1.30228       65.4      4.5      4.2     5.9
  130   8   6   0  36.321  72.643  1.30046       57.6      4.0      3.7     6.0
  131  13   1   2  36.369  72.739  1.29898       47.0      3.2      3.1     6.0
  132   7   3  -4  36.423  72.846  1.29733       30.1      2.1      2.0     6.0
  133  12   4  -1  36.504  73.008  1.29485       26.2      1.8      1.7     6.0
  134  13   3   1  36.777  73.555  1.28657       16.2      1.1      1.0     6.0
  135   8   6   1  37.373  74.746  1.26899       27.7      1.9      1.8     6.0
  136  10   0  -4  37.418  74.835  1.2677        70.9      4.9      4.6     6.0
  137  11   3  -3  37.496  74.992  1.26543       23.3      1.6      1.5     6.0
  138   0   6   3  37.561  75.121  1.26358       56.0      3.9      3.6     6.0
  139  11   5   1  38.536  77.072  1.2364        66.8      4.6      4.3     6.0
  140  14   2  -2  38.75   77.5    1.23063       37.6      2.6      2.4     6.0
  141   4   2  -5  38.858  77.717  1.22774       22.7      1.6      1.5     6.0
  142   8   6  -2  39.197  78.394  1.21881       25.4      1.7      1.6     6.0
  143   9   3  -4  39.31   78.621  1.21587       47.0      3.2      3.0     6.0
  144   1   3  -5  39.817  79.633  1.20294       19.8      1.4      1.3     6.0
  145  10   4   3  39.968  79.936  1.19914       34.1      2.3      2.2     6.0
  146  10   6  -1  40.354  80.708  1.1896        43.2      3.0      2.8     6.1
  147   6   6  -3  40.538  81.075  1.18514       25.8      1.8      1.6     6.1
  148   8   4  -4  40.577  81.155  1.18418       14.8      1.0      0.9     6.1
  149   7   7  -1  40.734  81.468  1.18042       22.3      1.5      1.4     6.1
  150  15   3   0  40.998  81.995  1.17416       34.7      2.4      2.2     6.1
  151  15   3  -1  41.41   82.82   1.16455       37.0      2.5      2.3     6.1
  152   6   6   3  41.487  82.974  1.16277       20.7      1.4      1.3     6.1
  153   2   8   1  42.625  85.251  1.13744       42.5      2.9      2.7     6.1
  154   5   3   5  42.881  85.762  1.13197       19.8      1.4      1.2     6.1
  155   9   7   0  43.137  86.274  1.12656       41.4      2.8      2.6     6.1
  156  16   2   1  43.183  86.366  1.1256        29.8      2.1      1.9     6.1
  157   0   6   4  43.245  86.49   1.1243        22.7      1.6      1.4     6.1
  158   3   7  -3  43.341  86.683  1.1223        16.2      1.1      1.0     6.1
  159  10   6   2  43.558  87.116  1.11782       34.7      2.4      2.2     6.1
  160   3   7   3  43.812  87.624  1.11265       27.3      1.9      1.7     6.2
  161  12   4   3  44.284  88.568  1.10321       27.9      1.9      1.7     6.2
  162  16   2  -2  44.331  88.662  1.10228       17.3      1.2      1.1     6.2
  163   8   2   5  44.982  89.963  1.08969       30.8      2.1      1.9     6.2

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)