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       ***
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LIDDICOATITE

1, t-tourmaline, s-elbaite

Ca(Li,Al)(3)Al(6)[BO(3)](3)Si(6)O(18)(O,OH,F)(4)


Hexagonal  R 3m  Z = 3

R =0.033          NR =1608

27 .6 .1997

Ref.Str.:

         Nuber B., Schmetzer K. (1981)

         * Neues Jb. Miner., Mh., 215-219

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  15.875    alpha =   90.0 
             b =  15.875    beta  =   90.0 
             c =   7.126    gamma =  120.0 

    Unit cell volume (cub. angs.) =  1555.26

    Molar volume ( cub.cm/mol.) =   312.26

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

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

   1 0.0     0.0     0.8548   0.0    Ca    = 1.00
   2 0.0619  0.9381  0.4582   0.0    Al    = 1.00
   3 0.26    0.2969  0.4806   0.0    Al    = 1.00
   4 0.891   0.109   0.6376   0.0    B     = 1.00
   5 0.19    0.192   0.0922   0.0    Si    = 1.00
   6 0.0     0.0     0.3036   0.0    O     = 1.00
   7 0.9399  0.0601  0.6101   0.0    O     = 1.00
   8 0.1345  0.8655  0.5831   0.0    O     = 1.00
   9 0.9074  0.0926  0.0183   0.0    O     = 1.00
  10 0.0924  0.9076  0.997    0.0    O     = 1.00
  11 0.1862  0.1962  0.3158   0.0    O     = 1.00
  12 0.2855  0.2859  0.0112   0.0    O     = 1.00
  13 0.2703  0.2097  0.6509   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.8548
     2       2     0.0619     0.9381     0.4582
     3       3     0.26       0.2969     0.4806
     4       4     0.891      0.109      0.6376
     5       5     0.19       0.192      0.0922
     6       6     0.0        0.0        0.3036
     7       7     0.9399     0.0601     0.6101
     8       8     0.1345     0.8655     0.5831
     9       9     0.9074     0.0926     0.0183
    10      10     0.0924     0.9076     0.997 
    11      11     0.1862     0.1962     0.3158
    12      12     0.2855     0.2859     0.0112
    13      13     0.2703     0.2097     0.6509
    14       2     0.0619     0.1238     0.4582
    15       2     0.8762     0.9381     0.4582
    16       3     0.7031     0.9631     0.4806
    17       3     0.0369     0.74       0.4806
    18       4     0.891      0.782      0.6376
    19       4     0.218      0.109      0.6376
    20       5     0.808      0.998      0.0922
    21       5     0.002      0.81       0.0922
    22       7     0.9399     0.8798     0.6101
    23       7     0.1202     0.0601     0.6101
    24       8     0.1345     0.269      0.5831
    25       8     0.731      0.8655     0.5831
    26       9     0.9074     0.8148     0.0183
    27       9     0.1852     0.0926     0.0183
    28      10     0.0924     0.1848     0.997 
    29      10     0.8152     0.9076     0.997 
    30      11     0.8038     0.99       0.3158
    31      11     0.01       0.8138     0.3158
    32      12     0.7141     0.9996     0.0112
    33      12     0.0004     0.7145     0.0112
    34      13     0.7903     0.0606     0.6509
    35      13     0.9394     0.7297     0.6509
    36       1     0.6667     0.3333     0.1881
    37       1     0.3333     0.6667     0.5215
    38       2     0.7286     0.4571     0.7915
    39       2     0.2095     0.6048     0.1249
    40       3     0.3698     0.2964     0.8139
    41       3     0.3702     0.4067     0.1473
    42       4     0.5577     0.1153     0.9709
    43       4     0.5513     0.7757     0.3043
    44       5     0.4747     0.3313     0.4255
    45       5     0.3353     0.4767     0.7589
    46       6     0.6667     0.3333     0.6369
    47       6     0.3333     0.6667     0.9703
    48       7     0.6066     0.2131     0.9434
    49       7     0.4535     0.7268     0.2768
    50       8     0.8012     0.6023     0.9164
    51       8     0.0643     0.5322     0.2498
    52       9     0.5741     0.1481     0.3516
    53       9     0.5185     0.7593     0.685 
    54      10     0.7591     0.5181     0.3303
    55      10     0.1485     0.5743     0.6637
    56      11     0.4705     0.3233     0.6491
    57      11     0.3433     0.4805     0.9825
    58      12     0.3808     0.3329     0.3445
    59      12     0.3337     0.3812     0.6779
    60      13     0.457      0.3939     0.9842
    61      13     0.2727     0.3964     0.3176
    62       2     0.5429     0.2714     0.7915
    63       2     0.3952     0.6048     0.1249
    64       2     0.7286     0.2714     0.7915
    65       2     0.3952     0.7905     0.1249
    66       3     0.7036     0.0733     0.8139
    67       3     0.5933     0.9636     0.1473
    68       3     0.9267     0.6302     0.8139
    69       3     0.0364     0.6297     0.1473
    70       4     0.8847     0.4423     0.9709
    71       4     0.2243     0.7757     0.3043
    72       4     0.5577     0.4423     0.9709
    73       4     0.2243     0.4487     0.3043
    74       5     0.6687     0.1433     0.4255
    75       5     0.5233     0.8587     0.7589
    76       5     0.8567     0.5253     0.4255
    77       5     0.1413     0.6646     0.7589
    78       7     0.7869     0.3934     0.9434
    79       7     0.2732     0.7268     0.2768
    80       7     0.6066     0.3934     0.9434
    81       7     0.2732     0.5464     0.2768
    82       8     0.3977     0.1988     0.9164
    83       8     0.4678     0.5322     0.2498
    84       8     0.8012     0.1988     0.9164
    85       8     0.4678     0.9357     0.2498
    86       9     0.8519     0.4259     0.3516
    87       9     0.2407     0.7593     0.685 
    88       9     0.5741     0.4259     0.3516
    89       9     0.2407     0.4814     0.685 
    90      10     0.4819     0.2409     0.3303
    91      10     0.4257     0.5743     0.6637
    92      10     0.7591     0.2409     0.3303
    93      10     0.4257     0.8514     0.6637
    94      11     0.6767     0.1471     0.6491
    95      11     0.5195     0.8629     0.9825
    96      11     0.8529     0.5295     0.6491
    97      11     0.1371     0.6567     0.9825
    98      12     0.6671     0.0478     0.3445
    99      12     0.6188     0.9526     0.6779
   100      12     0.9522     0.6192     0.3445
   101      12     0.0474     0.6662     0.6779
   102      13     0.6061     0.063      0.9842
   103      13     0.6036     0.8764     0.3176
   104      13     0.937      0.543      0.9842
   105      13     0.1236     0.7272     0.3176
   106       3     0.26       0.9631     0.4806
   107       5     0.19       0.998      0.0922
   108      11     0.1862     0.99       0.3158
   109      12     0.2855     0.9996     0.0112
   110      13     0.2703     0.0606     0.6509
   111       3     0.7031     0.74       0.4806
   112       3     0.0369     0.2969     0.4806
   113       5     0.808      0.81       0.0922
   114       5     0.002      0.192      0.0922
   115      11     0.8038     0.8138     0.3158
   116      11     0.01       0.1962     0.3158
   117      12     0.7141     0.7145     0.0112
   118      12     0.0004     0.2859     0.0112
   119      13     0.7903     0.7297     0.6509
   120      13     0.9394     0.2097     0.6509
   121       3     0.3698     0.0733     0.8139
   122       3     0.3702     0.9636     0.1473
   123       5     0.4747     0.1433     0.4255
   124       5     0.3353     0.8587     0.7589
   125      11     0.4705     0.1471     0.6491
   126      11     0.3433     0.8629     0.9825
   127      12     0.3808     0.0478     0.3445
   128      12     0.3337     0.9526     0.6779
   129      13     0.457      0.063      0.9842
   130      13     0.2727     0.8764     0.3176
   131       3     0.7036     0.6302     0.8139
   132       3     0.5933     0.6298     0.1473
   133       3     0.9267     0.2964     0.8139
   134       3     0.0364     0.4067     0.1473
   135       5     0.6687     0.5253     0.4255
   136       5     0.5233     0.6647     0.7589
   137       5     0.8567     0.3313     0.4255
   138       5     0.1413     0.4767     0.7589
   139      11     0.6767     0.5295     0.6491
   140      11     0.5195     0.6567     0.9825
   141      11     0.8529     0.3233     0.6491
   142      11     0.1371     0.4805     0.9825
   143      12     0.6671     0.6192     0.3445
   144      12     0.6188     0.6663     0.6779
   145      12     0.9522     0.3329     0.3445
   146      12     0.0474     0.3812     0.6779
   147      13     0.6061     0.543      0.9842
   148      13     0.6036     0.7273     0.3176
   149      13     0.937      0.3939     0.9842
   150      13     0.1236     0.3964     0.3176


X-ray density (g/cm cub.)   =      3.14

MU (1/cm) =     109.79     Mass attenuation coefficient (cm**2/g) =     34.994

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

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

    1    Ca                  2.88         9
                                                 2.4024       7
                                                 2.8001       9
                                                 2.7353      10
                                                 2.4025       7
                                                 2.4025       7
                                                 2.8002       9
                                                 2.8002       9
                                                 2.7352      10
                                                 2.7352      10
    2    Al                  2.316        6
                                                 2.0275       6
                                                 2.1857       8
                                                 1.9967       7
                                                 1.9967       7
                                                 1.9941      11
                                                 1.9941      11
    3    Al                  2.316        6
                                                 1.8532      11
                                                 1.9084      13
                                                 1.9536       8
                                                 1.9611      12
                                                 1.8893      12
                                                 1.888       13
    4    B                   1.872        3
                                                 1.3588       7
                                                 1.388       13
                                                 1.3882      13
    5    Si                  2.1          4
                                                 1.5972      11
                                                 1.6105      12
                                                 1.6288       9
                                                 1.6421      10
    6    O                   3.264       12
                                                 2.7388       7
                                                 3.2583       9
                                                 3.0397      11
                                                 2.7389       7
                                                 2.7389       7
                                                 3.2584       9
                                                 3.2584       9
                                                 3.0396      11
                                                 3.0397      11
                                                 3.0397      11
                                                 3.0396      11
                                                 3.0397      11
    7    O                   3.264       10
                                                 2.7388       6
                                                 3.043        9
                                                 2.8624       7
                                                 2.8624       7
                                                 3.2145       8
                                                 3.2145       8
                                                 2.8108      11
                                                 2.3965      13
                                                 2.8108      11
                                                 2.3967      13
    8    O                   3.264       12
                                                 3.1685      10
                                                 3.2145       7
                                                 3.2145       7
                                                 2.5662      11
                                                 2.7921      13
                                                 3.0098       9
                                                 2.8283      12
                                                 2.8369      13
                                                 2.5663      11
                                                 2.7923      13
                                                 2.8281      12
                                                 2.8367      13
    9    O                   3.264       11
                                                 3.2583       6
                                                 3.043        7
                                                 2.5479      10
                                                 2.5479      10
                                                 2.6784      11
                                                 2.6586      12
                                                 3.1022      13
                                                 3.0101       8
                                                 2.6784      11
                                                 2.6588      12
                                                 3.1023      13
   10    O                   3.264        7
                                                 3.1685       8
                                                 2.5479       9
                                                 2.5479       9
                                                 2.6723      11
                                                 2.6577      12
                                                 2.6724      11
                                                 2.6577      12
   11    O                   3.264       10
                                                 3.0397       6
                                                 2.6419      12
                                                 2.6915      13
                                                 2.8108       7
                                                 2.5662       8
                                                 2.6784       9
                                                 2.6723      10
                                                 2.7548      12
                                                 2.7603      13
                                                 2.7971      11
   12    O                   3.264       10
                                                 2.6419      11
                                                 2.7967      13
                                                 2.6586       9
                                                 2.6577      10
                                                 2.7548      11
                                                 2.7124      12
                                                 2.7125      12
                                                 2.3914      13
                                                 2.8701      13
                                                 2.8281       8
   13    O                   3.264       10
                                                 2.6915      11
                                                 2.7967      12
                                                 2.3965       7
                                                 2.7921       8
                                                 3.1022       9
                                                 2.7603      11
                                                 2.8702      12
                                                 2.3914      12
                                                 2.8367       8
                                                 2.367       13

  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   1   1   0  5.569  11.138   0.063  209.4     6        6.0        1.9
    2   1   0   1  6.993  13.986   0.079  131.96    6       46.7       71.5
    3   2   0  -1  8.957  17.914   0.101   79.57    6       93.1      170.9
    4   3   0   0  9.676  19.353   0.109   67.87    6      107.9      195.9
    5   2   1   1 10.571  21.143   0.119   56.51   12      131.9      487.8
    6   2   2   0 11.191  22.383   0.126   50.2     6      190.2      450.4
    7   1   0  -2 12.905  25.809   0.145   37.24    6      181.8      305.3
    8   3   1  -1 13.245  26.49    0.149   35.25   12       87.6      134.3
    9   2   0   2 14.093  28.187   0.158   30.9     6       23.8        4.3
   10   4   0   1 14.408  28.815   0.162   29.48    6       50.3       18.5
   11   4   1   0 14.877  29.755   0.167   27.53   12      112.9      174.1
   12   2   1  -2 15.196  30.393   0.17    26.3    12      226.1      666.9
   13   3   2   1 15.49   30.98    0.173   25.24   12       79.7       79.6
   14   3   3   0 16.926  33.851   0.189   20.84    6       38.6        7.7
   15   3   1   2 17.21   34.421   0.192   20.1    12       77.4       59.8
   16   5   0  -1 17.474  34.948   0.195   19.44    6      397.1      760.5
   17   4   0  -2 18.143  36.286   0.202   17.9     6       60.2       16.1
   18   4   2  -1 18.395  36.79    0.205   17.37   12       66.9       38.5
   19   0   0   3 18.922  37.844   0.21    16.32    2      205.7       57.1
   20   3   2  -2 19.036  38.072   0.212   16.11   12      115.1      105.8
   21   5   1   1 19.278  38.555   0.214   15.66   12      143.3      159.6
   22   6   0   0 19.644  39.287   0.218   15.02    6       95.1       33.7
   23   1   1   3 19.785  39.57    0.22    14.79   12       42.0       12.9
   24   5   2   0 20.481  40.962   0.227   13.69   12       32.7        7.3
   25   5   0   2 20.723  41.447   0.23    13.34    6      143.7       68.3
   26   4   3   1 20.949  41.898   0.232   13.02   12      145.8      137.2
   27   3   0  -3 21.423  42.847   0.237   12.38    6      122.5       46.1
   28   3   0   3 21.423  42.847   0.237   12.38    6      140.3       60.5
   29   4   2   2 21.526  43.052   0.238   12.25   12      121.5       89.7
   30   2   2   3 22.205  44.411   0.245   11.42   12      154.8      135.8
   31   5   1  -2 22.305  44.61    0.246   11.31   12      249.8      349.9
   32   6   1  -1 22.518  45.036   0.249   11.07   12      106.6       62.4
   33   4   4   0 22.841  45.682   0.252   10.72    6      127.5       43.2
   34   4   3  -2 23.803  47.606   0.262    9.76   12      232.8      262.5
   35   5   3  -1 24.005  48.01    0.264    9.57   12       31.4        4.7
   36   7   0   1 24.005  48.01    0.264    9.57    6       43.9        4.6
   37   4   1  -3 24.432  48.865   0.268    9.2    12       72.1       23.7
   38   4   1   3 24.432  48.865   0.268    9.2    12       44.8        9.2
   39   6   2   1 24.723  49.446   0.271    8.95   12      123.8       68.0
   40   7   1   0 25.024  50.048   0.275    8.71   12       33.0        4.7
   41   6   1   2 25.232  50.464   0.277    8.55   12       45.7        8.8
   42   3   3   3 25.836  51.672   0.283    8.1    12       94.3       35.8
   43   1   0   4 25.848  51.697   0.283    8.09    6      120.5       29.1
   44   6   3   0 26.405  52.809   0.289    7.71   12       17.6        1.2
   45   2   0  -4 26.53   53.059   0.29     7.63    6       75.7       10.8
   46   5   3   2 26.605  53.209   0.291    7.58   12       24.8        2.3
   47   7   0  -2 26.605  53.209   0.291    7.58    6       68.9        8.9
   48   5   4   1 26.791  53.583   0.293    7.46   12       57.1       12.0
   49   2   1   4 27.199  54.398   0.297    7.21   12       22.0        1.7
   50   6   2  -2 27.273  54.546   0.297    7.16   12      102.6       37.4
   51   8   0  -1 27.456  54.913   0.299    7.05    6        7.8        0.1
   52   6   0  -3 27.845  55.69    0.303    6.83    6      268.9      122.5
   53   6   0   3 27.845  55.69    0.303    6.83    6      167.7       47.6
   54   7   2  -1 28.111  56.221   0.306    6.69   12      205.4      139.9
   55   5   2  -3 28.493  56.987   0.31     6.48   12       24.7        2.0
   56   5   2   3 28.493  56.987   0.31     6.48   12       30.7        3.0
   57   3   1  -4 28.505  57.011   0.31     6.48   12       24.2        1.9
   58   5   5   0 29.027  58.053   0.315    6.22    6      326.0      163.9
   59   4   0   4 29.144  58.288   0.316    6.16    6      137.5       28.9
   60   5   4  -2 29.215  58.429   0.317    6.13   12      111.4       37.7
   61   8   1   1 29.39   58.78    0.319    6.05   12       86.3       22.3
   62   3   2   4 29.774  59.548   0.322    5.87   12       82.1       19.6
   63   8   0   2 29.844  59.687   0.323    5.84    6       79.0        9.1
   64   6   4  -1 30.017  60.034   0.325    5.77   12      100.9       29.1
   65   9   0   0 30.282  60.563   0.327    5.65    6      175.1       43.0
   66   4   4   3 30.385  60.769   0.328    5.61   12       19.4        1.0
   67   7   2   2 30.465  60.93    0.329    5.58   12      151.0       63.1
   68   7   3   1 30.636  61.272   0.331    5.51   12       49.9        6.8
   69   8   2   0 30.898  61.795   0.333    5.41   12      106.3       30.3
   70   5   0  -4 31.011  62.021   0.334    5.36    6      326.9      142.2
   71   4   2  -4 31.618  63.236   0.34     5.14   12      125.7       40.3
   72   8   1  -2 31.685  63.371   0.341    5.12   12       90.0       20.6
   73   7   1  -3 32.208  64.417   0.346    4.94   12      131.7       42.5
   74   7   1   3 32.208  64.417   0.346    4.94   12       82.3       16.6
   75   5   1   4 32.219  64.439   0.346    4.93   12      256.3      160.7
   76   6   4   2 32.286  64.572   0.347    4.91   12      119.3       34.7
   77   7   4   0 32.705  65.41    0.351    4.78   12      142.4       48.1
   78   7   3  -2 32.881  65.761   0.352    4.72   12       45.5        4.9
   79   1   0  -5 32.913  65.826   0.353    4.71    6      178.1       37.0
   80   6   5   1 33.045  66.089   0.354    4.67   12      138.7       44.6
   81   9   1  -1 33.045  66.089   0.354    4.67   12       90.3       18.9
   82   6   3  -3 33.393  66.787   0.357    4.57   12       66.7       10.1
   83   6   3   3 33.393  66.787   0.357    4.57   12      140.2       44.5
   84   4   3   4 33.404  66.809   0.357    4.57   12      207.3       97.3
   85   2   0   5 33.502  67.004   0.358    4.54    6       59.8        4.0
   86   2   1  -5 34.086  68.171   0.364    4.38   12       33.4        2.4
   87   8   3  -1 34.215  68.43    0.365    4.34   12       85.1       15.6
   88   6   1  -4 34.568  69.137   0.368    4.25   12       36.8        2.9
   89  10   0   1 34.793  69.586   0.37     4.19    6      305.1       96.9
   90   6   5  -2 35.208  70.415   0.374    4.1    12       97.7       19.4
   91   9   1   2 35.208  70.415   0.374    4.1    12       57.6        6.7
   92   3   1   5 35.239  70.478   0.375    4.09   12       56.7        6.5
   93   9   2   1 35.366  70.733   0.376    4.06   12       39.4        3.1
   94   6   6   0 35.61   71.219   0.378    4.0     6      207.6       42.8
   95   5   5   3 35.704  71.409   0.379    3.98   12      139.3       38.3
   96   5   3  -4 35.715  71.43    0.379    3.98   12      104.3       21.5
   97   7   0   4 35.715  71.43    0.379    3.98    6       94.0        8.7
   98   4   0  -5 35.81   71.619   0.38     3.96    6      190.2       35.5
   99  10   1   0 36.178  72.355   0.383    3.88   12      249.8      120.2
  100   6   2   4 36.282  72.565   0.384    3.86   12       70.7        9.6
  101   8   3   2 36.345  72.69    0.385    3.85   12      126.0       30.3
  102   3   2  -5 36.376  72.753   0.385    3.84   12       81.0       12.5
  103   7   5  -1 36.502  73.004   0.386    3.82   12       83.0       13.0
  104   9   0  -3 36.836  73.672   0.389    3.75    6       42.4        1.7
  105   9   0   3 36.836  73.672   0.389    3.75    6       82.4        6.3
  106  10   0  -2 36.909  73.817   0.39     3.74    6       99.9        9.3
  107   8   4   1 37.065  74.129   0.391    3.71   12      105.9       20.6
  108   9   3   0 37.303  74.607   0.393    3.66   12      127.0       29.3
  109   8   2  -3 37.396  74.793   0.394    3.65   12      123.5       27.6
  110   8   2   3 37.396  74.793   0.394    3.65   12       55.2        5.5
  111   9   2  -2 37.469  74.938   0.395    3.63   12       32.1        1.9
  112   5   0   5 37.5    75.0     0.395    3.63    6      330.4       98.3
  113   5   4   4 37.964  75.929   0.399    3.55   12      155.2       42.4
  114   4   2   5 38.057  76.114   0.4      3.53   12       34.7        2.1
  115   8   0  -4 38.519  77.039   0.404    3.46    6       23.8        0.5
  116   7   5   2 38.581  77.162   0.405    3.45   12       87.0       13.0
  117   5   1  -5 38.612  77.223   0.405    3.45   12       73.9        9.3
  118  11   0  -1 38.735  77.469   0.406    3.43    6      222.2       42.0
  119   7   4  -3 39.062  78.123   0.409    3.38   12       74.7        9.4
  120   7   4   3 39.062  78.123   0.409    3.38   12       67.5        7.6
  121   7   2  -4 39.072  78.144   0.409    3.38   12       53.1        4.7
  122   8   4  -2 39.133  78.266   0.41     3.37   12      114.4       21.9
  123  10   2  -1 39.286  78.572   0.411    3.35   12       92.1       14.1
  124   8   5   0 39.521  79.041   0.413    3.32   12       66.0        7.2
  125   4   3  -5 39.714  79.427   0.415    3.29   12      122.3       24.4
  126   7   6   1 39.836  79.671   0.416    3.28   12       58.6        5.6
  127   8   1   4 40.17   80.341   0.419    3.23   12       61.2        6.0
  128   0   0   6 40.434  80.867   0.421    3.2     2      269.0       19.2
  129   6   4  -4 40.717  81.434   0.423    3.17   12       81.0       10.3
  130  11   0   2 40.778  81.555   0.424    3.16    6       33.9        0.9
  131   6   1   5 40.808  81.615   0.424    3.16   12       75.0        8.8
  132   9   4  -1 40.929  81.858   0.425    3.15   12       45.7        3.3
  133  11   1   1 40.929  81.858   0.425    3.15   12      140.6       30.9
  134   1   1   6 40.979  81.959   0.426    3.14   12       40.7        2.6
  135   7   3   4 41.262  82.524   0.428    3.11   12       36.0        2.0
  136  10   2   2 41.322  82.645   0.429    3.1    12       65.6        6.6
  137   6   6   3 41.795  83.591   0.433    3.06   12       17.1        0.4
  138   7   6  -2 41.866  83.732   0.433    3.05   12       25.3        1.0
  139   5   3   5 41.896  83.791   0.433    3.05   12       35.3        1.9
  140   7   0  -5 41.896  83.791   0.433    3.05    6       34.4        0.9
  141  10   3   1 42.017  84.033   0.434    3.04   12      121.3       22.2
  142   3   0  -6 42.066  84.133   0.435    3.03    6      100.9        7.7
  143   3   0   6 42.066  84.133   0.435    3.03    6      140.3       14.8
  144  12   0   0 42.248  84.495   0.436    3.02    6       72.0        3.9
  145  10   1  -3 42.338  84.676   0.437    3.01   12       22.7        0.8
  146  10   1   3 42.338  84.676   0.437    3.01   12      171.0       43.7
  147   6   2  -5 42.438  84.876   0.438    3.0    12       32.8        1.6
  148   2   2   6 42.608  85.217   0.439    2.99   12       61.2        5.5
  149   7   7   0 42.789  85.578   0.441    2.97    6       55.0        2.2
  150  11   2   0 42.789  85.578   0.441    2.97   12       56.3        4.7
  151   9   4   2 42.949  85.899   0.442    2.96   12       79.7        9.3
  152  11   1  -2 42.949  85.899   0.442    2.96   12       61.8        5.6
  153   9   3  -3 43.42   86.84    0.446    2.92   12       75.9        8.3
  154   9   3   3 43.42   86.84    0.446    2.92   12      128.8       24.1
  155   6   5   4 43.43   86.86    0.446    2.92   12      102.5       15.2
  156   9   1  -4 43.43   86.86    0.446    2.92   12       86.3       10.8
  157   8   6  -1 43.64   87.28    0.448    2.91   12       68.2        6.7
  158  10   3  -2 44.03   88.06    0.451    2.88   12       62.2        5.5
  159   5   4  -5 44.06   88.12    0.451    2.88   12       68.7        6.8
  160   9   5   1 44.18   88.36    0.452    2.87   12       79.9        9.1
  161   4   1  -6 44.23   88.46    0.453    2.87   12       58.2        4.8
  162   4   1   6 44.23   88.46    0.453    2.87   12       31.4        1.4
  163  10   4   0 44.41   88.82    0.454    2.86   12       46.9        3.1
  164   8   3  -4 44.51   89.02    0.455    2.85   12       45.4        2.9
  165   8   0   5 44.6    89.199   0.456    2.85    6       68.5        3.3


  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   1   0   1   6.993  13.986  6.32664       71.5      9.4      9.6     5.6
    2   2   0   1   8.957  17.914  4.94737      170.9     22.5     22.8     5.6
    3   3   0   0   9.676  19.353  4.58272      195.9     25.8     26.1     5.6
    4   2   1   1  10.571  21.143  4.19858      487.8     64.1     64.9     5.6
    5   2   2   0  11.191  22.383  3.96875      450.4     59.2     59.8     5.6
    6   1   0   2  12.905  25.809  3.44905      305.3     40.1     40.5     5.6
    7   3   1   1  13.245  26.49   3.362        134.3     17.7     17.8     5.6
    8   4   0   1  14.408  28.815  3.09576       18.5      2.4      2.5     5.6
    9   4   1   0  14.877  29.755  3.00009      174.1     22.9     23.0     5.6
   10   2   1   2  15.196  30.393  2.93856      666.9     87.7     88.0     5.6
   11   3   2   1  15.49   30.98   2.88416       79.6     10.5     10.5     5.6
   12   3   3   0  16.926  33.851  2.64583        7.7      1.0      1.0     5.7
   13   3   1   2  17.21   34.421  2.60334       59.8      7.9      7.9     5.7
   14   5   0   1  17.474  34.948  2.56529      760.5    100.0    100.0     5.7
   15   4   0   2  18.143  36.286  2.47369       16.1      2.1      2.1     5.7
   16   4   2   1  18.395  36.79   2.44097       38.5      5.1      5.1     5.7
   17   0   0   3  18.922  37.844  2.37533       57.1      7.5      7.5     5.7
   18   3   2   2  19.036  38.072  2.36166      105.8     13.9     13.9     5.7
   19   5   1   1  19.278  38.555  2.33314      159.6     21.0     20.9     5.7
   20   6   0   0  19.644  39.287  2.29136       33.7      4.4      4.4     5.7
   21   1   1   3  19.785  39.57   2.27562       12.9      1.7      1.7     5.7
   22   5   0   2  20.723  41.447  2.1768        68.3      9.0      8.9     5.7
   23   4   3   1  20.949  41.898  2.15441      137.2     18.0     17.9     5.7
   24   3   0   3  21.423  42.847  2.10888      106.6     14.0     13.9     5.7
   25   4   2   2  21.526  43.052  2.09929       89.7     11.8     11.7     5.7
   26   2   2   3  22.205  44.411  2.03817      135.8     17.9     17.7     5.7
   27   5   1   2  22.305  44.61   2.02951      349.9     46.0     45.6     5.7
   28   6   1   1  22.518  45.036  2.01133       62.4      8.2      8.1     5.7
   29   4   4   0  22.841  45.682  1.98438       43.2      5.7      5.6     5.7
   30   4   3   2  23.803  47.606  1.90857      262.5     34.5     34.1     5.7
   31   5   3   1  24.005  48.01   1.89342        9.3      1.2      1.2     5.7
   32   4   1   3  24.432  48.865  1.86229       32.9      4.3      4.3     5.7
   33   6   2   1  24.723  49.446  1.84175       68.0      8.9      8.8     5.7
   34   6   1   2  25.232  50.464  1.80696        8.8      1.2      1.1     5.8
   35   3   3   3  25.836  51.672  1.76754       64.9      8.5      8.4     5.8
   36   2   0   4  26.53   53.059  1.72453       10.8      1.4      1.4     5.8
   37   7   0   2  26.605  53.209  1.72002       11.2      1.5      1.4     5.8
   38   5   4   1  26.791  53.583  1.7089        12.0      1.6      1.6     5.8
   39   6   2   2  27.273  54.546  1.681         37.4      4.9      4.8     5.8
   40   6   0   3  27.845  55.69   1.64912      170.1     22.4     21.9     5.8
   41   7   2   1  28.111  56.221  1.63481      139.9     18.4     18.0     5.8
   42   5   5   0  29.027  58.053  1.5875       163.9     21.6     21.0     5.8
   43   4   0   4  29.144  58.288  1.58166       28.9      3.8      3.7     5.8
   44   5   4   2  29.215  58.429  1.57818       37.7      5.0      4.8     5.8
   45   8   1   1  29.39   58.78   1.56958       22.3      2.9      2.9     5.8
   46   3   2   4  29.774  59.548  1.55116       19.6      2.6      2.5     5.8
   47   8   0   2  29.844  59.687  1.54788        9.1      1.2      1.2     5.8
   48   6   4   1  30.017  60.034  1.53977       29.1      3.8      3.7     5.8
   49   9   0   0  30.282  60.563  1.52757       43.0      5.7      5.5     5.8
   50   7   2   2  30.465  60.93   1.51926       63.1      8.3      8.0     5.8
   51   8   2   0  30.898  61.795  1.50005       30.3      4.0      3.9     5.8
   52   5   0   4  31.011  62.021  1.49512      142.2     18.7     18.1     5.8
   53   4   2   4  31.618  63.236  1.46928       40.3      5.3      5.1     5.9
   54   8   1   2  31.685  63.371  1.46649       20.6      2.7      2.6     5.9
   55   5   1   4  32.219  64.439  1.44474      219.8     28.9     27.9     5.9
   56   6   4   2  32.286  64.572  1.44208       34.7      4.6      4.4     5.9
   57   7   4   0  32.705  65.41   1.42562       48.1      6.3      6.1     5.9
   58   1   0   5  32.913  65.826  1.4176        37.0      4.9      4.7     5.9
   59   6   5   1  33.045  66.089  1.4126        63.4      8.3      8.0     5.9
   60   4   3   4  33.404  66.809  1.39913      151.9     20.0     19.2     5.9
   61   8   3   1  34.215  68.43   1.36988       15.6      2.0      2.0     5.9
   62  10   0   1  34.793  69.586  1.34992       96.9     12.7     12.2     5.9
   63   6   5   2  35.208  70.415  1.33604       26.1      3.4      3.3     5.9
   64   6   6   0  35.61   71.219  1.32292       42.8      5.6      5.4     5.9
   65   5   5   3  35.704  71.409  1.31987       68.6      9.0      8.6     5.9
   66   4   0   5  35.81   71.619  1.31651       35.5      4.7      4.5     5.9
   67  10   1   0  36.178  72.355  1.30492      120.2     15.8     15.0     5.9
   68   6   2   4  36.282  72.565  1.30167        9.6      1.3      1.2     6.0
   69   8   3   2  36.345  72.69   1.29972       30.3      4.0      3.8     6.0
   70   3   2   5  36.376  72.753  1.29876       12.5      1.6      1.6     6.0
   71   7   5   1  36.502  73.004  1.29491       13.0      1.7      1.6     6.0
   72   9   0   3  36.836  73.672  1.28482        8.0      1.1      1.0     6.0
   73  10   0   2  36.909  73.817  1.28264        9.3      1.2      1.2     6.0
   74   8   4   1  37.065  74.129  1.27802       20.6      2.7      2.6     6.0
   75   9   3   0  37.303  74.607  1.27102       29.3      3.9      3.7     6.0
   76   8   2   3  37.396  74.793  1.26831       33.1      4.4      4.1     6.0
   77   5   0   5  37.5    75.0    1.26533       98.3     12.9     12.2     6.0
   78   5   4   4  37.964  75.929  1.25214       42.4      5.6      5.3     6.0
   79   7   5   2  38.581  77.162  1.23518       13.0      1.7      1.6     6.0
   80   5   1   5  38.612  77.223  1.23435        9.3      1.2      1.2     6.0
   81  11   0   1  38.735  77.469  1.23104       42.0      5.5      5.2     6.0
   82   7   4   3  39.062  78.123  1.22236       21.7      2.9      2.7     6.0
   83   8   4   2  39.133  78.266  1.22049       21.9      2.9      2.7     6.0
   84  10   2   1  39.286  78.572  1.2165        14.1      1.9      1.7     6.0
   85   4   3   5  39.714  79.427  1.20554       24.4      3.2      3.0     6.0
   86   0   0   6  40.434  80.867  1.18767       19.2      2.5      2.4     6.1
   87   6   4   4  40.717  81.434  1.18083       10.3      1.4      1.3     6.1
   88   6   1   5  40.808  81.615  1.17866        8.8      1.2      1.1     6.1
   89  11   1   1  40.929  81.858  1.17578       34.1      4.5      4.2     6.1
   90  10   3   1  42.017  84.033  1.1508        22.2      2.9      2.7     6.1
   91   3   0   6  42.066  84.133  1.14968       22.5      3.0      2.7     6.1
   92  10   1   3  42.338  84.676  1.1437        43.7      5.7      5.3     6.1
   93   9   4   2  42.949  85.899  1.13052       14.9      2.0      1.8     6.1
   94   9   1   4  43.43   86.86   1.12046       58.4      7.7      7.1     6.1
   95   5   4   5  44.06   88.12   1.10766       12.3      1.6      1.5     6.2
   96   9   5   1  44.18   88.36   1.10527        9.1      1.2      1.1     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)