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

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

1, f-tomichite, g-tomichite, DN

Fe(4)Ti(3)SbO(13)(OH)


Monoclinic  P 2(1)/m  Z = 2

R =0.045          NR =2181

7 .12 .1993

Ref.Str.:

         Moore P.B., Araki T. (1976)

         * Neues Jb. Miner., Abh., 126, 3, 292-303

Reserv:

         T.V.Ush.

                   Initial data from BDM-file 

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

             a =   7.16     alpha =   90.0 
             b =  14.347    beta  =  104.61
             c =   4.97     gamma =   90.0 

    Unit cell volume (cub. angs.) =   494.03

    Molar volume ( cub.cm/mol.) =   148.79

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

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

   1 0.0765  0.25    0.0533   0.56   Sb    = 1.00
   2 0.4942  0.25    0.7452   0.7    Ti    = 1.00
   3 0.507   0.1297  0.247    0.66   Fe    = 1.00
   4 0.8076  0.0587  0.869    0.64   Fe    = 0.43, Fe    = 0.0 
   5 0.8187  0.9352  0.3756   0.65   Fe    = 0.57, Ti    = 0.43
   6 0.3516  0.25    0.0252   0.73   O     = 1.00
   7 0.678   0.9538  0.9886   0.59   O     = 1.00
   8 0.6608  0.1523  0.9666   0.71   O     = 1.00
   9 0.0006  0.1499  0.7645   0.68   O     = 1.00
  10 0.0004  0.0375  0.2508   0.55   O     = 1.00
  11 0.6807  0.0438  0.4969   0.59   O     = 1.00
  12 0.3356  0.1528  0.5157   0.7    O     = 1.00
  13 0.6408  0.25    0.4657   0.56   OH    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0765     0.25       0.0533
     2       2     0.4942     0.25       0.7452
     3       3     0.507      0.1297     0.247 
     4       4     0.8076     0.0587     0.869 
     5       5     0.8187     0.9352     0.3756
     6       6     0.3516     0.25       0.0252
     7       7     0.678      0.9538     0.9886
     8       8     0.6608     0.1523     0.9666
     9       9     0.0006     0.1499     0.7645
    10      10     0.0004     0.0375     0.2508
    11      11     0.6807     0.0438     0.4969
    12      12     0.3356     0.1528     0.5157
    13      13     0.6408     0.25       0.4657
    14       1     0.9235     0.75       0.9467
    15       2     0.5058     0.75       0.2548
    16       3     0.493      0.6297     0.753 
    17       4     0.1924     0.5587     0.131 
    18       5     0.1813     0.4352     0.6244
    19       6     0.6484     0.75       0.9748
    20       7     0.322      0.4538     0.0114
    21       8     0.3392     0.6523     0.0334
    22       9     0.9994     0.6499     0.2355
    23      10     0.9996     0.5375     0.7492
    24      11     0.3193     0.5438     0.5031
    25      12     0.6644     0.6528     0.4843
    26      13     0.3592     0.75       0.5343
    27       3     0.507      0.3703     0.247 
    28       4     0.8076     0.4412     0.869 
    29       5     0.8187     0.5648     0.3756
    30       7     0.678      0.5462     0.9886
    31       8     0.6608     0.3477     0.9666
    32       9     0.0006     0.3501     0.7645
    33      10     0.0004     0.4625     0.2508
    34      11     0.6807     0.4562     0.4969
    35      12     0.3356     0.3472     0.5157
    36       3     0.493      0.8703     0.753 
    37       4     0.1924     0.9413     0.131 
    38       5     0.1813     0.0648     0.6244
    39       7     0.322      0.0462     0.0114
    40       8     0.3392     0.8477     0.0334
    41       9     0.9994     0.8501     0.2355
    42      10     0.9996     0.9625     0.7492
    43      11     0.3193     0.9562     0.5031
    44      12     0.6644     0.8472     0.4843


X-ray density (g/cm cub.)   =      4.43

MU (1/cm) =     610.497    Mass attenuation coefficient (cm**2/g) =    137.806

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

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

    1    Sb                  2.76         3
                                                 2.0093       6
                                                 2.0061       9
                                                 2.0061       9
    2    Ti                  2.616        6
                                                 1.9228       6
                                                 1.984        8
                                                 1.9702      12
                                                 1.9406      13
                                                 1.984        8
                                                 1.9702      12
    3    Fe                  2.64         6
                                                 2.1945       6
                                                 2.0085       8
                                                 1.9563      11
                                                 2.056       12
                                                 2.1341      13
                                                 1.9436       7
    4   Fe   ,Fe             2.64         6
                                                 1.9391       7
                                                 1.8437       8
                                                 2.0618       9
                                                 2.0685      10
                                                 1.8556      11
                                                 2.1363      10
    5   Fe   ,Ti             2.64         6
                                                 1.9516       7
                                                 2.1543      10
                                                 2.017       11
                                                 2.0259       9
                                                 2.0163      10
                                                 1.8453      12
    6    O                   3.312       11
                                                 2.6974       8
                                                 2.9008       9
                                                 2.8358      12
                                                 2.8677      12
                                                 2.6065      13
                                                 2.9311       7
                                                 2.6974       8
                                                 2.9008       9
                                                 2.8358      12
                                                 2.8677      12
                                                 2.9311       7
    7    O                   3.312       12
                                                 2.8514       8
                                                 2.6365      10
                                                 2.8328      11
                                                 2.7683      11
                                                 2.9311       6
                                                 2.9005       7
                                                 2.9195       8
                                                 2.7551       9
                                                 2.8488      10
                                                 3.0485      11
                                                 2.9222      12
                                                 2.9167      12
    8    O                   3.312       11
                                                 2.6974       6
                                                 2.8514       7
                                                 2.857        9
                                                 2.9812      10
                                                 3.0332      11
                                                 2.8391      11
                                                 2.7949      12
                                                 2.884       13
                                                 2.8289      13
                                                 2.8034       8
                                                 2.9195       7
    9    O                   3.312       10
                                                 2.9008       6
                                                 2.857        8
                                                 2.9058      10
                                                 3.0194      10
                                                 2.792       11
                                                 2.9632      12
                                                 2.9957      13
                                                 2.8723       9
                                                 2.7551       7
                                                 2.6897      10
   10    O                   3.312       11
                                                 2.6365       7
                                                 2.9812       8
                                                 3.0194       9
                                                 2.9058       9
                                                 2.8559      11
                                                 2.9387      12
                                                 2.8488       7
                                                 2.6897       9
                                                 2.702       10
                                                 2.7139      10
                                                 2.5888      11
   11    O                   3.312       12
                                                 2.7683       7
                                                 2.8328       7
                                                 2.8391       8
                                                 3.0332       8
                                                 2.792        9
                                                 2.8559      10
                                                 2.9455      12
                                                 2.9724      13
                                                 3.0485       7
                                                 2.5888      10
                                                 2.8838      11
                                                 2.8231      12
   12    O                   3.312       11
                                                 2.8677       6
                                                 2.8358       6
                                                 2.7949       8
                                                 2.9632       9
                                                 2.9387      10
                                                 2.9455      11
                                                 2.6562      13
                                                 2.7891      12
                                                 2.9222       7
                                                 2.9167       7
                                                 2.8231      11
   13    OH                  3.36        11
                                                 2.6065       6
                                                 2.8289       8
                                                 2.884        8
                                                 2.9957       9
                                                 2.9724      11
                                                 2.6562      12
                                                 2.8289       8
                                                 2.884        8
                                                 2.9957       9
                                                 2.9724      11
                                                 2.6562      12

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

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

    1   0   2   0  7.163  14.326   0.07   125.68    2       32.3      107.2
    2   1   0   0  7.418  14.835   0.072  117.05    2       15.1       21.9
    3   1   1   0  8.243  16.485   0.08    94.36    4       62.4      602.7
    4   1   2   0 10.34   20.679   0.1     59.17    4       20.0       38.8
    5   0   0   1 10.719  21.437   0.104   54.92    2       57.0      146.2
    6   0   1   1 11.312  22.625   0.11    49.09    4        8.5        5.8
    7   1   0  -1 11.411  22.822   0.111   48.2     2       48.1       91.4
    8   1   1  -1 11.972  23.945   0.116   43.6     4       38.5      105.8
    9   0   2   1 12.939  25.878   0.125   37.03    4      106.5      688.4
   10   1   3   0 13.136  26.272   0.127   35.87    4        7.3        3.1
   11   1   2  -1 13.525  27.049   0.131   33.72    4      115.2      733.3
   12   0   4   0 14.441  28.882   0.139   29.34    2       38.2       35.0
   13   1   0   1 14.58   29.16    0.141   28.74    2       74.9      132.0
   14   2   0   0 14.963  29.926   0.144   27.19    2       81.2      146.9
   15   1   1   1 15.031  30.062   0.145   26.93    4       23.1       23.6
   16   0   3   1 15.294  30.587   0.147   25.94    4       11.5        5.6
   17   2   1   0 15.404  30.807   0.148   25.55    4       90.0      338.9
   18   1   3  -1 15.799  31.598   0.152   24.19    4       30.2       36.1
   19   2   0  -1 16.114  32.227   0.155   23.18    2       73.8      103.6
   20   1   4   0 16.309  32.618   0.157   22.59    4      115.6      494.8
   21   1   2   1 16.315  32.631   0.157   22.57    4       57.2      121.1
   22   2   1  -1 16.527  33.053   0.159   21.95    4        6.4        1.5
   23   2   2   0 16.662  33.324   0.16    21.56    4      140.6      698.8
   24   2   2  -1 17.714  35.428   0.17    18.87    4       74.4      171.3
   25   0   4   1 18.125  36.251   0.174   17.94    4       78.9      183.1
   26   1   3   1 18.277  36.554   0.175   17.62    4      226.3     1479.2
   27   1   4  -1 18.562  37.124   0.178   17.03    4       91.9      235.8
   28   2   3   0 18.592  37.183   0.178   16.97    4       29.4       24.1
   29   2   3  -1 19.553  39.107   0.187   15.18    4      233.8     1359.5
   30   1   5   0 19.719  39.437   0.189   14.9     4       70.2      120.4
   31   2   0   1 20.747  41.493   0.198   13.3     2       56.1       34.3
   32   1   4   1 20.753  41.507   0.198   13.29    4       53.2       61.7
   33   2   4   0 21.037  42.073   0.201   12.9     4        6.6        0.9
   34   2   1   1 21.081  42.161   0.201   12.84    4       91.2      175.1
   35   1   0  -2 21.203  42.405   0.202   12.67    2      207.3      446.2
   36   0   5   1 21.284  42.568   0.203   12.56    4       81.0      135.2
   37   1   1  -2 21.531  43.062   0.205   12.24    4       13.4        3.6
   38   1   5  -1 21.667  43.334   0.206   12.07    4       58.8       68.3
   39   0   0   2 21.837  43.674   0.208   11.86    2       12.9        1.6
   40   2   4  -1 21.908  43.817   0.209   11.77    4       57.2       63.0
   41   0   6   0 21.967  43.933   0.209   11.7     2      139.2      185.8
   42   2   2   1 22.058  44.115   0.21    11.59    4        6.8        0.9
   43   0   1   2 22.158  44.316   0.211   11.48    4       61.3       70.7
   44   1   2  -2 22.492  44.985   0.214   11.1     4       61.6       68.9
   45   3   0  -1 22.646  45.292   0.215   10.93    2       52.7       24.8
   46   3   0   0 22.786  45.573   0.216   10.77    2       47.9       20.3
   47   3   1  -1 22.958  45.915   0.218   10.59    4       92.5      148.7
   48   3   1   0 23.097  46.193   0.219   10.45    4       68.9       81.2
   49   0   2   2 23.099  46.197   0.219   10.45    4       37.8       24.5
   50   2   0  -2 23.31   46.619   0.221   10.23    2       65.0       35.4
   51   1   6   0 23.311  46.622   0.221   10.23    4       64.5       69.7
   52   2   3   1 23.614  47.229   0.224    9.94    4       13.4        2.9
   53   2   1  -2 23.614  47.229   0.224    9.94    4       26.1       11.1
   54   1   5   1 23.62   47.241   0.224    9.93    4      178.7      520.0
   55   3   2  -1 23.874  47.747   0.226    9.69    4       13.6        3.0
   56   2   5   0 23.877  47.753   0.226    9.69    4       80.3      102.3
   57   3   2   0 24.009  48.017   0.227    9.57    4       28.7       12.9
   58   1   3  -2 24.027  48.054   0.228    9.55    4        5.6        0.5
   59   2   2  -2 24.512  49.023   0.232    9.13    4        2.2        0.1
   60   0   3   2 24.604  49.208   0.233    9.05    4       12.1        2.2
   61   2   5  -1 24.669  49.338   0.233    9.0     4       73.8       80.4
   62   0   6   1 24.693  49.386   0.234    8.98    4       47.8       33.6
   63   1   6  -1 25.035  50.07    0.237    8.7     4       41.6       24.7
   64   1   0   2 25.048  50.097   0.237    8.69    2       61.7       27.2
   65   1   1   2 25.338  50.675   0.239    8.47    4       75.1       78.3
   66   3   3  -1 25.344  50.689   0.239    8.46    4       50.1       34.9
   67   3   3   0 25.474  50.947   0.24     8.37    4       85.6      100.5
   68   2   4   1 25.672  51.343   0.242    8.22    4       11.5        1.8
   69   2   3  -2 25.956  51.911   0.245    8.02    4        5.6        0.4
   70   1   4  -2 26.06   52.12    0.246    7.94    4       29.5       11.3
   71   1   2   2 26.191  52.382   0.247    7.85    4      125.9      203.9
   72   0   4   2 26.605  53.209   0.25     7.58    4      109.3      148.3
   73   1   6   1 26.8    53.601   0.252    7.45    4       60.4       44.6
   74   2   6   0 27.034  54.069   0.254    7.31    4        1.3        0.0
   75   1   7   0 27.072  54.144   0.254    7.28    4       32.0       12.2
   76   3   4  -1 27.306  54.611   0.256    7.14    4       32.8       12.6
   77   3   4   0 27.428  54.857   0.257    7.07    4       51.3       30.5
   78   1   3   2 27.572  55.143   0.259    6.99    4       47.5       25.8
   79   3   0  -2 27.673  55.345   0.26     6.93    2      168.3      160.8
   80   2   6  -1 27.761  55.522   0.26     6.88    4       52.6       31.2
   81   2   4  -2 27.887  55.774   0.261    6.81    4      110.8      136.9
   82   3   1  -2 27.942  55.885   0.262    6.78    4       75.5       63.3
   83   3   0   1 28.036  56.072   0.263    6.73    2       21.9        2.6
   84   2   5   1 28.155  56.311   0.264    6.66    4       58.9       37.9
   85   3   1   1 28.304  56.608   0.265    6.58    4       70.8       54.1
   86   0   7   1 28.32   56.639   0.265    6.57    4       49.7       26.6
   87   1   5  -2 28.52   57.04    0.267    6.47    4       29.7        9.3
   88   1   7  -1 28.631  57.262   0.268    6.41    4       44.1       20.4
   89   3   2  -2 28.742  57.484   0.269    6.36    4      113.2      133.5
   90   0   5   2 29.033  58.067   0.271    6.21    4       77.9       61.8
   91   3   2   1 29.097  58.194   0.272    6.18    4       24.2        5.9
   92   1   4   2 29.431  58.861   0.275    6.03    4        9.7        0.9
   93   3   5  -1 29.696  59.393   0.277    5.91    4       91.7       81.5
   94   3   5   0 29.812  59.625   0.278    5.86    4       78.2       58.6
   95   0   8   0 29.918  59.836   0.279    5.81    2       74.1       26.2
   96   3   3  -2 30.044  60.088   0.28     5.75    4        8.4        0.7
   97   4   0  -1 30.185  60.37    0.281    5.69    2       46.7       10.2
   98   2   0   2 30.23   60.459   0.281    5.68    2      213.0      211.1
   99   2   5  -2 30.247  60.495   0.282    5.67    4       43.0       17.2
  100   1   7   1 30.253  60.505   0.282    5.67    4       52.9       26.0
  101   3   3   1 30.389  60.779   0.283    5.61    4       72.4       48.3
  102   4   1  -1 30.441  60.881   0.283    5.59    4       75.0       51.5
  103   2   7   0 30.469  60.938   0.283    5.58    4       55.3       27.9
  104   2   1   2 30.485  60.97    0.284    5.57    4       60.5       33.5
  105   2   6   1 31.009  62.019   0.288    5.36    4       39.9       14.0
  106   1   8   0 31.01   62.021   0.288    5.36    4       65.8       38.1
  107   4   0   0 31.091  62.182   0.289    5.33    2       52.4       12.0
  108   2   7  -1 31.144  62.288   0.289    5.31    4       70.1       42.8
  109   4   2  -1 31.2    62.4     0.29     5.29    4       15.4        2.1
  110   2   2   2 31.244  62.487   0.29     5.28    4       35.1       10.7
  111   4   1   0 31.342  62.684   0.291    5.24    4       58.3       29.2
  112   1   6  -2 31.354  62.707   0.291    5.23    4      153.3      201.6
  113   1   5   2 31.72   63.439   0.294    5.1     4       74.2       46.0
  114   3   4  -2 31.812  63.625   0.295    5.07    4       19.5        3.1
  115   0   6   2 31.839  63.678   0.295    5.06    4       46.5       17.9
  116   4   2   0 32.089  64.178   0.297    4.98    4       15.1        1.9
  117   3   4   1 32.147  64.293   0.297    4.96    4       20.9        3.5
  118   0   8   1 32.161  64.323   0.298    4.95    4       86.2       60.2
  119   4   3  -1 32.443  64.886   0.3      4.86    4       80.5       51.6
  120   1   8  -1 32.45   64.9     0.3      4.86    4       92.1       67.6
  121   3   6  -1 32.468  64.935   0.3      4.85    4       53.5       22.8
  122   2   3   2 32.486  64.971   0.3      4.85    4       89.9       64.2
  123   3   6   0 32.578  65.156   0.301    4.82    4       85.0       57.0
  124   1   0  -3 32.686  65.373   0.302    4.78    2       52.9       11.0
  125   1   1  -3 32.931  65.862   0.304    4.71    4       33.3        8.6
  126   2   6  -2 32.992  65.984   0.304    4.69    4      116.0      103.4
  127   4   3   0 33.314  66.628   0.307    4.59    4       81.3       49.8
  128   2   0  -3 33.542  67.084   0.309    4.53    2       21.3        1.7
  129   1   2  -3 33.659  67.318   0.31     4.49    4       61.7       28.1
  130   4   0  -2 33.717  67.434   0.31     4.48    2      197.5      143.1
  131   2   1  -3 33.783  67.566   0.311    4.46    4        9.5        0.7
  132   0   0   3 33.915  67.829   0.312    4.42    2       46.8        7.9
  133   4   1  -2 33.958  67.915   0.312    4.41    4       60.9       26.8
  134   1   8   1 33.965  67.93    0.312    4.41    4       42.7       13.2
  135   3   5  -2 34.01   68.02    0.313    4.4     4       55.4       22.1
  136   4   4  -1 34.142  68.284   0.314    4.36    4       14.7        1.5
  137   0   1   3 34.155  68.309   0.314    4.36    4       19.6        2.8
  138   2   8   0 34.168  68.337   0.314    4.35    4      181.9      236.1
  139   2   4   2 34.183  68.367   0.314    4.35    4       35.3        8.9
  140   2   7   1 34.2    68.4     0.314    4.35    4       58.2       24.1
  141   3   5   1 34.333  68.666   0.315    4.31    4      241.4      411.8
  142   1   6   2 34.4    68.799   0.316    4.29    4        4.5        0.1
  143   2   2  -3 34.502  69.005   0.317    4.27    4       83.1       48.3
  144   1   7  -2 34.527  69.055   0.317    4.26    4        9.3        0.6
  145   4   2  -2 34.675  69.35    0.318    4.22    4       48.9       16.6
  146   2   8  -1 34.805  69.609   0.319    4.19    4       65.5       29.5
  147   1   3  -3 34.856  69.711   0.319    4.18    4       44.8       13.7
  148   0   2   3 34.87   69.74    0.32     4.18    4       24.5        4.1
  149   0   7   2 34.99   69.979   0.321    4.15    4       41.0       11.4
  150   4   4   0 34.992  69.984   0.321    4.15    4       62.5       26.5
  151   1   9   0 35.153  70.306   0.322    4.11    4        6.6        0.3
  152   3   7  -1 35.59   71.181   0.325    4.01    4       98.2       63.4
  153   2   3  -3 35.686  71.372   0.326    3.99    4       72.9       34.7
  154   3   7   0 35.696  71.392   0.326    3.98    4       58.4       22.3
  155   4   3  -2 35.856  71.712   0.327    3.95    4       61.9       24.8
  156   0   3   3 36.049  72.097   0.329    3.91    4      177.9      202.7
  157   2   7  -2 36.093  72.186   0.329    3.9     4       13.0        1.1
  158   0   9   1 36.237  72.474   0.33     3.87    4       72.2       33.0
  159   4   0   1 36.254  72.507   0.331    3.87    2       66.3       13.9
  160   4   5  -1 36.27   72.54    0.331    3.86    4      213.4      288.4
  161   2   5   2 36.31   72.621   0.331    3.85    4       58.4       21.5
  162   3   0  -3 36.409  72.818   0.332    3.83    2       48.4        7.4
  163   4   1   1 36.487  72.974   0.332    3.82    4       79.1       39.2
  164   1   4  -3 36.501  73.002   0.333    3.82    4       49.8       15.5
  165   1   9  -1 36.51   73.02    0.333    3.81    4       55.7       19.4
  166   3   6  -2 36.608  73.215   0.333    3.8     4       48.0       14.3
  167   3   1  -3 36.642  73.284   0.334    3.79    4       22.7        3.2
  168   3   6   1 36.921  73.842   0.336    3.73    4        6.4        0.3
  169   3   0   2 36.932  73.864   0.336    3.73    2      109.1       36.4
  170   4   5   0 37.099  74.197   0.337    3.7     4       25.4        3.9
  171   1   0   3 37.127  74.255   0.337    3.7     2       24.1        1.8
  172   3   1   2 37.163  74.327   0.338    3.69    4       35.9        7.8
  173   4   2   1 37.183  74.366   0.338    3.69    4       36.4        8.0
  174   2   4  -3 37.316  74.633   0.339    3.66    4       82.2       40.5
  175   3   2  -3 37.337  74.674   0.339    3.66    4       66.6       26.6
  176   1   1   3 37.359  74.717   0.339    3.65    4      100.4       60.4
  177   1   7   2 37.448  74.896   0.34     3.64    4       54.5       17.7
  178   4   4  -2 37.484  74.967   0.34     3.63    4       52.8       16.6
  179   0   4   3 37.673  75.346   0.342    3.6     4       39.0        9.0
  180   2   8   1 37.716  75.433   0.342    3.59    4       16.8        1.7
  181   3   2   2 37.855  75.71    0.343    3.57    4       22.8        3.0
  182   1   9   1 37.951  75.902   0.344    3.55    4       54.9       17.5
  183   1   8  -2 38.031  76.062   0.344    3.54    4       70.9       29.2
  184   1   2   3 38.049  76.098   0.345    3.54    4       15.3        1.4
  185   2   9   0 38.145  76.291   0.345    3.52    4       38.8        8.7
  186   4   3   1 38.333  76.666   0.347    3.49    4       76.6       33.6
  187   0   8   2 38.476  76.953   0.348    3.47    4       26.9        4.1
  188   3   3  -3 38.486  76.971   0.348    3.47    4      144.4      118.4
  189   0  10   0 38.568  77.137   0.349    3.45    2      236.7      158.6
  190   1   5  -3 38.576  77.152   0.349    3.45    4      188.3      200.6
  191   5   0  -1 38.686  77.372   0.349    3.44    2       44.6        5.6
  192   2   9  -1 38.755  77.51    0.35     3.43    4       31.0        5.4
  193   4   6  -1 38.806  77.612   0.35     3.42    4       21.0        2.5
  194   2   6   2 38.845  77.691   0.351    3.41    4       38.6        8.3
  195   5   1  -1 38.914  77.828   0.351    3.4     4      107.5       64.5
  196   3   3   2 38.999  77.997   0.352    3.39    4       72.5       29.2
  197   3   8  -1 39.057  78.113   0.352    3.38    4        4.8        0.1
  198   3   8   0 39.159  78.318   0.353    3.37    4        2.1        0.0
  199   1   3   3 39.191  78.381   0.353    3.36    4       27.0        4.0
  200   2   5  -3 39.376  78.753   0.355    3.34    4       80.9       35.8
  201   4   5  -2 39.541  79.082   0.356    3.31    4       75.7       31.1
  202   2   8  -2 39.543  79.087   0.356    3.31    4       70.4       26.9
  203   1  10   0 39.544  79.088   0.356    3.31    4       26.8        3.9
  204   3   7  -2 39.59   79.18    0.356    3.31    4       43.3       10.1
  205   5   2  -1 39.596  79.192   0.356    3.31    4       36.1        7.0
  206   4   6   0 39.616  79.233   0.356    3.3     4       24.6        3.3
  207   0   5   3 39.727  79.454   0.357    3.29    4       67.9       24.9
  208   3   7   1 39.896  79.791   0.359    3.27    4       31.1        5.2
  209   4   4   1 39.926  79.851   0.359    3.26    4       29.7        4.7
  210   3   4  -3 40.076  80.153   0.36     3.25    4       49.8       13.2
  211   5   0   0 40.203  80.406   0.361    3.23    2       57.2        8.7
  212   5   1   0 40.429  80.857   0.363    3.2     4       27.0        3.8
  213   3   4   2 40.584  81.168   0.364    3.18    4       59.3       18.3
  214   0  10   1 40.587  81.173   0.364    3.18    4       50.5       13.3
  215   5   3  -1 40.726  81.451   0.365    3.17    4       68.6       24.4
  216   1   4   3 40.774  81.548   0.365    3.16    4        2.0        0.0
  217   1  10  -1 40.851  81.701   0.366    3.15    4       51.3       13.6
  218   1   8   2 40.861  81.722   0.366    3.15    4      158.5      129.8
  219   1   6  -3 41.067  82.134   0.367    3.13    4       38.9        7.8
  220   5   2   0 41.104  82.208   0.367    3.13    4      104.5       56.0
  221   4   0  -3 41.128  82.256   0.368    3.12    2       36.5        3.4
  222   5   0  -2 41.202  82.403   0.368    3.12    2       33.5        2.9
  223   4   1  -3 41.353  82.705   0.369    3.1     4       34.6        6.1
  224   5   1  -2 41.426  82.852   0.37     3.09    4       59.0       17.6
  225   2   9   1 41.572  83.145   0.371    3.08    4       78.2       30.9
  226   4   7  -1 41.742  83.484   0.372    3.06    4       36.5        6.7
  227   2   7   2 41.781  83.562   0.372    3.06    4       60.9       18.6
  228   2   6  -3 41.856  83.712   0.373    3.05    4       41.2        8.5
  229   1   9  -2 41.879  83.758   0.373    3.05    4        1.2        0.0
  230   4   5   1 41.951  83.901   0.374    3.04    4       96.7       46.7
  231   4   6  -2 42.018  84.036   0.374    3.04    4       33.8        5.7
  232   4   2  -3 42.025  84.051   0.374    3.04    4       25.5        3.2
  233   5   2  -2 42.099  84.197   0.375    3.03    4       53.8       14.4
  234   3   5  -3 42.1    84.2     0.375    3.03    4       32.9        5.4
  235   2   0   3 42.168  84.337   0.375    3.02    2        7.5        0.1
  236   0   6   3 42.202  84.404   0.376    3.02    4       54.5       14.7
  237   5   3   0 42.225  84.45    0.376    3.02    4       71.2       25.0
  238   1  10   1 42.249  84.498   0.376    3.02    4       42.6        9.0
  239   5   4  -1 42.296  84.592   0.376    3.01    4       18.2        1.6
  240   0   9   2 42.315  84.629   0.376    3.01    4       15.8        1.2
  241   2   1   3 42.392  84.784   0.377    3.0     4       71.4       25.1
  242   2  10   0 42.438  84.877   0.377    3.0     4       28.8        4.1
  243   4   7   0 42.54   85.08    0.378    2.99    4       59.6       17.4
  244   3   5   2 42.603  85.206   0.378    2.99    4       25.8        3.3
  245   1   5   3 42.791  85.583   0.38     2.97    4       34.5        5.8
  246   3   9  -1 42.883  85.766   0.38     2.96    4       89.0       38.5
  247   3   8  -2 42.961  85.922   0.381    2.96    4      135.7       89.3
  248   3   9   0 42.984  85.967   0.381    2.96    4       58.0       16.3
  249   2  10  -1 43.034  86.068   0.381    2.95    4       46.8       10.6
  250   2   2   3 43.062  86.125   0.382    2.95    4       27.7        3.7
  251   4   3  -3 43.143  86.286   0.382    2.94    4       37.4        6.8
  252   5   3  -2 43.216  86.432   0.383    2.94    4       64.3       19.9
  253   3   8   1 43.262  86.524   0.383    2.93    4       20.7        2.1
  254   2   9  -2 43.361  86.723   0.384    2.93    4        0.7        0.0
  255   5   4   0 43.788  87.576   0.387    2.9     4       14.4        1.0
  256   1   7  -3 43.974  87.948   0.388    2.89    4       68.0       21.9
  257   2   3   3 44.177  88.354   0.39     2.87    4       44.7        9.4
  258   1  11   0 44.254  88.508   0.39     2.87    4       54.9       14.2
  259   5   5  -1 44.304  88.609   0.39     2.87    4       14.4        1.0
  260   4   6   1 44.406  88.812   0.391    2.86    4       47.9       10.8
  261   3   6  -3 44.555  89.109   0.392    2.85    4       42.9        8.6
  262   1   9   2 44.661  89.323   0.393    2.85    4       40.5        7.6
  263   4   4  -3 44.703  89.406   0.393    2.84    4       42.9        8.6
  264   2   7  -3 44.757  89.514   0.394    2.84    4        3.2        0.0
  265   5   4  -2 44.776  89.552   0.394    2.84    4       34.6        5.6
  266   4   7  -2 44.919  89.837   0.395    2.83    4       47.3       10.4


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (angs.):

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

    1   0   2   0   7.163  14.326  7.1735       107.2      7.2      7.4     5.6
    2   1   0   0   7.418  14.835  6.92848       21.9      1.5      1.5     5.6
    3   1   1   0   8.243  16.485  6.23906      602.7     40.7     41.4     5.6
    4   1   2   0  10.34   20.679  4.98355       38.8      2.6      2.7     5.6
    5   0   0   1  10.719  21.437  4.8093       146.2      9.9     10.0     5.6
    6   1   0  -1  11.411  22.822  4.52091       91.4      6.2      6.3     5.6
    7   1   1  -1  11.972  23.945  4.3119       105.8      7.2      7.2     5.6
    8   0   2   1  12.939  25.878  3.99463      688.4     46.5     47.0     5.6
    9   1   2  -1  13.525  27.049  3.82472      733.3     49.6     50.0     5.6
   10   0   4   0  14.441  28.882  3.58675       35.0      2.4      2.4     5.6
   11   1   0   1  14.58   29.16   3.5532       132.0      8.9      9.0     5.6
   12   2   0   0  14.963  29.926  3.46424      146.9      9.9     10.0     5.6
   13   1   1   1  15.031  30.062  3.449         23.6      1.6      1.6     5.6
   14   2   1   0  15.404  30.807  3.36746      338.9     22.9     23.0     5.6
   15   1   3  -1  15.799  31.598  3.2853        36.1      2.4      2.5     5.6
   16   2   0  -1  16.114  32.227  3.22275      103.6      7.0      7.0     5.6
   17   1   4   0  16.309  32.618  3.18524      615.9     41.6     41.8     5.6
   18   2   2   0  16.662  33.324  3.11953      698.8     47.2     47.4     5.7
   19   2   2  -1  17.714  35.428  2.93971      171.3     11.6     11.6     5.7
   20   0   4   1  18.125  36.251  2.87519      183.1     12.4     12.4     5.7
   21   1   3   1  18.277  36.554  2.85213     1479.2    100.0    100.0     5.7
   22   1   4  -1  18.562  37.124  2.80985      235.8     15.9     15.9     5.7
   23   2   3   0  18.592  37.183  2.80551       24.1      1.6      1.6     5.7
   24   2   3  -1  19.553  39.107  2.67255     1359.5     91.9     91.7     5.7
   25   1   5   0  19.719  39.437  2.65104      120.4      8.1      8.1     5.7
   26   1   4   1  20.753  41.507  2.52427       95.9      6.5      6.5     5.7
   27   2   1   1  21.081  42.161  2.48683      175.1     11.8     11.8     5.7
   28   1   0  -2  21.203  42.405  2.47315      446.2     30.2     30.0     5.7
   29   0   5   1  21.284  42.568  2.46414      135.2      9.1      9.1     5.7
   30   1   5  -1  21.667  43.334  2.42263       68.3      4.6      4.6     5.7
   31   2   4  -1  21.908  43.817  2.39722       63.0      4.3      4.2     5.7
   32   0   6   0  21.967  43.933  2.39117      185.8     12.6     12.5     5.7
   33   0   1   2  22.158  44.316  2.37157       70.7      4.8      4.7     5.7
   34   1   2  -2  22.492  44.985  2.3381        68.9      4.7      4.6     5.7
   35   3   0  -1  22.646  45.292  2.32307       24.8      1.7      1.7     5.7
   36   3   0   0  22.786  45.573  2.30949       20.3      1.4      1.4     5.7
   37   3   1  -1  22.958  45.915  2.2932       148.7     10.1     10.0     5.7
   38   3   1   0  23.097  46.193  2.28014      105.8      7.1      7.1     5.7
   39   1   6   0  23.311  46.622  2.26034      105.1      7.1      7.0     5.7
   40   1   5   1  23.62   47.241  2.23237      534.0     36.1     35.7     5.7
   41   2   5   0  23.877  47.753  2.2098       105.3      7.1      7.0     5.7
   42   2   5  -1  24.669  49.338  2.14305      114.0      7.7      7.6     5.7
   43   1   0   2  25.048  50.097  2.11264       51.8      3.5      3.5     5.7
   44   1   1   2  25.338  50.675  2.0901       113.2      7.7      7.5     5.8
   45   3   3   0  25.474  50.947  2.07969      100.5      6.8      6.7     5.8
   46   1   2   2  26.191  52.382  2.02658      203.9     13.8     13.5     5.8
   47   0   4   2  26.605  53.209  1.99732      148.3     10.0      9.8     5.8
   48   1   6   1  26.8    53.601  1.98379       44.6      3.0      3.0     5.8
   49   3   4   0  27.428  54.857  1.94178       30.5      2.1      2.0     5.8
   50   1   3   2  27.572  55.143  1.93248       25.8      1.7      1.7     5.8
   51   3   0  -2  27.673  55.345  1.92598      160.8     10.9     10.6     5.8
   52   2   6  -1  27.761  55.522  1.92032       31.2      2.1      2.1     5.8
   53   2   4  -2  27.887  55.774  1.91236      136.9      9.3      9.1     5.8
   54   3   1  -2  27.942  55.885  1.90885       63.3      4.3      4.2     5.8
   55   2   5   1  28.155  56.311  1.8956        37.9      2.6      2.5     5.8
   56   3   1   1  28.304  56.608  1.88646       80.7      5.5      5.3     5.8
   57   1   7  -1  28.631  57.262  1.8667        20.4      1.4      1.3     5.8
   58   3   2  -2  28.742  57.484  1.8601       133.5      9.0      8.8     5.8
   59   0   5   2  29.033  58.067  1.84304       61.8      4.2      4.1     5.8
   60   3   5  -1  29.696  59.393  1.80552       81.5      5.5      5.4     5.8
   61   3   5   0  29.812  59.625  1.79913       58.6      4.0      3.9     5.8
   62   0   8   0  29.918  59.836  1.79337       26.2      1.8      1.7     5.8
   63   2   0   2  30.23   60.459  1.7766       254.2     17.2     16.7     5.8
   64   3   3   1  30.389  60.779  1.76814       48.3      3.3      3.2     5.8
   65   4   1  -1  30.441  60.881  1.76545       79.4      5.4      5.2     5.8
   66   2   1   2  30.485  60.97   1.76313       33.5      2.3      2.2     5.8
   67   1   8   0  31.01   62.021  1.73616       52.1      3.5      3.4     5.8
   68   2   7  -1  31.144  62.288  1.72945       42.8      2.9      2.8     5.8
   69   1   6  -2  31.354  62.707  1.71906      230.7     15.6     15.1     5.8
   70   1   5   2  31.72   63.439  1.70126       46.0      3.1      3.0     5.9
   71   0   6   2  31.839  63.678  1.69556       21.1      1.4      1.4     5.9
   72   0   8   1  32.161  64.323  1.68035       63.8      4.3      4.2     5.9
   73   1   8  -1  32.45   64.9    1.66701      141.9      9.6      9.3     5.9
   74   2   3   2  32.486  64.971  1.66539       64.2      4.3      4.2     5.9
   75   3   6   0  32.578  65.156  1.66118       57.0      3.9      3.7     5.9
   76   2   6  -2  32.992  65.984  1.64265      103.4      7.0      6.7     5.9
   77   4   3   0  33.314  66.628  1.62859       49.8      3.4      3.2     5.9
   78   1   2  -3  33.659  67.318  1.61382       28.1      1.9      1.8     5.9
   79   4   0  -2  33.717  67.434  1.61138      143.1      9.7      9.3     5.9
   80   4   1  -2  33.958  67.915  1.60131       40.0      2.7      2.6     5.9
   81   3   5  -2  34.01   68.02   1.59915       22.1      1.5      1.4     5.9
   82   2   8   0  34.168  68.337  1.59262      240.4     16.3     15.6     5.9
   83   2   7   1  34.2    68.4    1.59133       33.0      2.2      2.1     5.9
   84   3   5   1  34.333  68.666  1.58591      411.8     27.8     26.7     5.9
   85   2   2  -3  34.502  69.005  1.57909       48.9      3.3      3.2     5.9
   86   4   2  -2  34.675  69.35   1.5722        16.6      1.1      1.1     5.9
   87   2   8  -1  34.805  69.609  1.56708       29.5      2.0      1.9     5.9
   88   1   3  -3  34.856  69.711  1.56508       17.9      1.2      1.2     5.9
   89   4   4   0  34.992  69.984  1.55976       38.0      2.6      2.5     5.9
   90   3   7  -1  35.59   71.181  1.53691       63.4      4.3      4.1     5.9
   91   2   3  -3  35.686  71.372  1.53334       57.0      3.9      3.7     5.9
   92   4   3  -2  35.856  71.712  1.52702       24.8      1.7      1.6     5.9
   93   0   3   3  36.049  72.097  1.51997      202.7     13.7     13.1     5.9
   94   0   9   1  36.237  72.474  1.51315       46.9      3.2      3.0     5.9
   95   4   5  -1  36.27   72.54   1.51197      288.4     19.5     18.6     5.9
   96   2   5   2  36.31   72.621  1.51051       21.5      1.5      1.4     6.0
   97   4   1   1  36.487  72.974  1.50421       74.1      5.0      4.8     6.0
   98   3   0   2  36.932  73.864  1.48862       36.4      2.5      2.3     6.0
   99   4   2   1  37.183  74.366  1.48001       15.8      1.1      1.0     6.0
  100   2   4  -3  37.316  74.633  1.47549       67.1      4.5      4.3     6.0
  101   1   1   3  37.359  74.717  1.47406       60.4      4.1      3.9     6.0
  102   1   7   2  37.448  74.896  1.47106       17.7      1.2      1.1     6.0
  103   4   4  -2  37.484  74.967  1.46986       16.6      1.1      1.1     6.0
  104   1   9   1  37.951  75.902  1.45444       17.5      1.2      1.1     6.0
  105   1   8  -2  38.031  76.062  1.45184       30.5      2.1      2.0     6.0
  106   4   3   1  38.333  76.666  1.44214       33.6      2.3      2.1     6.0
  107   3   3  -3  38.486  76.971  1.4373       122.5      8.3      7.8     6.0
  108   1   5  -3  38.576  77.152  1.43446      359.1     24.3     22.9     6.0
  109   5   1  -1  38.914  77.828  1.42395       64.5      4.4      4.1     6.0
  110   3   3   2  38.999  77.997  1.42135       29.2      2.0      1.9     6.0
  111   2   5  -3  39.376  78.753  1.40991       35.8      2.4      2.3     6.0
  112   4   5  -2  39.541  79.082  1.40499       62.0      4.2      3.9     6.0
  113   3   7  -2  39.59   79.18   1.40353       20.5      1.4      1.3     6.0
  114   0   5   3  39.727  79.454  1.3995        24.9      1.7      1.6     6.0
  115   3   4   2  40.584  81.168  1.37491       31.6      2.1      2.0     6.1
  116   5   3  -1  40.726  81.451  1.37095       24.4      1.6      1.5     6.1
  117   1   8   2  40.861  81.722  1.3672       143.4      9.7      9.1     6.1
  118   5   2   0  41.104  82.208  1.36055       59.4      4.0      3.7     6.1
  119   5   1  -2  41.426  82.852  1.35186       17.6      1.2      1.1     6.1
  120   2   9   1  41.572  83.145  1.34796       30.9      2.1      1.9     6.1
  121   2   7   2  41.781  83.562  1.34246       18.6      1.3      1.2     6.1
  122   4   5   1  41.951  83.901  1.33803       46.7      3.2      2.9     6.1
  123   5   2  -2  42.099  84.197  1.3342        19.7      1.3      1.2     6.1
  124   5   3   0  42.225  84.45   1.33095       48.7      3.3      3.1     6.1
  125   2   1   3  42.392  84.784  1.3267        25.1      1.7      1.6     6.1
  126   4   7   0  42.54   85.08   1.32296       17.4      1.2      1.1     6.1
  127   3   9  -1  42.883  85.766  1.31441       38.5      2.6      2.4     6.1
  128   3   8  -2  42.961  85.922  1.31248      105.6      7.1      6.6     6.1
  129   5   3  -2  43.216  86.432  1.30626       19.9      1.3      1.2     6.1
  130   1   7  -3  43.974  87.948  1.28823       21.9      1.5      1.4     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)