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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AUSTINITE

2, t-adelite, f-adamite

CaZn[AsO(4)](OH)


Orthorhombic  P 2(1)2(1)2(1)  Z = 4

P2(1)2(1)2(1)

16 .10 .17

Ref.Str.:

         Giuseppetti G., Tadini C. (1988)

         * Neues Jb. Mineral., Mh., 159-166

         R: Locality - Kamareza, Laurion, Greece.

         N.A.D.

                   Initial data from BDM-file 

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

             a =   7.505    alpha =   90.0 
             b =   9.037    beta  =   90.0 
             c =   5.921    gamma =   90.0 

    Unit cell volume (cub. angs.) =   401.58

    Molar volume ( cub.cm/mol.) =    60.47

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

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

   1 0.3689  0.672   0.522    0.0    Ca    = 1.00
   2 0.764   0.5065  0.757    0.0    Zn    = 1.00
   3 0.3771  0.3232  0.483    0.0    As    = 1.00
   4 0.552   0.4413  0.51     0.0    O     = 1.00
   5 0.2079  0.437   0.411    0.0    O     = 1.00
   6 0.6484  0.7331  0.769    0.0    O     = 1.00
   7 0.6033  0.7094  0.242    0.0    O     = 1.00
   8 0.8905  0.5727  0.492    0.0    OH    = 1.00
   9 0.993   0.523   0.5      0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3689     0.672      0.522 
     2       2     0.764      0.5065     0.757 
     3       3     0.3771     0.3232     0.483 
     4       4     0.552      0.4413     0.51  
     5       5     0.2079     0.437      0.411 
     6       6     0.6484     0.7331     0.769 
     7       7     0.6033     0.7094     0.242 
     8       8     0.8905     0.5727     0.492 
     9       9     0.993      0.523      0.5   
    10       1     0.1311     0.328      0.022 
    11       2     0.736      0.4935     0.257 
    12       3     0.1229     0.6768     0.983 
    13       4     0.948      0.5587     0.01  
    14       5     0.2921     0.563      0.911 
    15       6     0.8516     0.2669     0.269 
    16       7     0.8967     0.2906     0.742 
    17       8     0.6095     0.4273     0.992 
    18       9     0.507      0.477      0.0   
    19       1     0.6311     0.172      0.978 
    20       2     0.236      0.0065     0.743 
    21       3     0.6229     0.8232     0.017 
    22       4     0.448      0.9413     0.99  
    23       5     0.7921     0.937      0.089 
    24       6     0.3516     0.2331     0.731 
    25       7     0.3967     0.2094     0.258 
    26       8     0.1095     0.0727     0.008 
    27       9     0.007      0.023      0.0   
    28       1     0.8689     0.828      0.478 
    29       2     0.264      0.9935     0.243 
    30       3     0.8771     0.1768     0.517 
    31       4     0.052      0.0587     0.49  
    32       5     0.7079     0.063      0.589 
    33       6     0.1484     0.7669     0.231 
    34       7     0.1033     0.7906     0.758 
    35       8     0.3905     0.9273     0.508 
    36       9     0.493      0.977      0.5   


X-ray density (g/cm cub.)   =      4.34

MU (1/cm) =     291.274    Mass attenuation coefficient (cm**2/g) =     67.135

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

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

    1    Ca                  2.928        8
                                                 2.498        4
                                                 2.5302       5
                                                 2.6161       6
                                                 2.4408       7
                                                 2.5705       5
                                                 2.5383       6
                                                 2.6598       7
                                                 2.3143       8
    2    Zn                  2.676        6
                                                 2.24         4
                                                 2.2251       6
                                                 1.929        8
                                                 2.0913       4
                                                 2.1924       7
                                                 1.9475       8
    3    As                  2.508        4
                                                 1.6993       4
                                                 1.6888       5
                                                 1.6899       6
                                                 1.6894       7
    4    O                   3.312       11
                                                 2.6484       5
                                                 3.1351       6
                                                 2.9217       7
                                                 2.8063       8
                                                 3.2637       5
                                                 3.0945       6
                                                 3.2302       7
                                                 2.8891       8
                                                 3.0999       8
                                                 2.7412       6
                                                 2.8243       7
    5    O                   3.312        9
                                                 2.6484       4
                                                 2.7218       8
                                                 3.2637       4
                                                 3.2343       5
                                                 3.2343       5
                                                 3.1969       6
                                                 2.8545       6
                                                 2.6569       7
                                                 3.1974       6
    6    O                   3.312       11
                                                 3.1351       4
                                                 2.8291       7
                                                 3.146        7
                                                 2.8447       8
                                                 3.0945       4
                                                 3.1969       5
                                                 3.0766       8
                                                 2.7412       4
                                                 2.8545       5
                                                 3.1974       5
                                                 3.0355       8
    7    O                   3.312        9
                                                 2.9217       4
                                                 3.146        6
                                                 2.8291       6
                                                 2.8919       8
                                                 3.2302       4
                                                 2.9483       8
                                                 2.8243       4
                                                 2.6569       5
                                                 2.9848       8
    8    OH                  3.36        10
                                                 2.8063       4
                                                 2.7218       5
                                                 2.8447       6
                                                 2.8919       7
                                                 3.0999       4
                                                 2.8891       4
                                                 3.0766       6
                                                 2.9483       7
                                                 3.0355       6
                                                 2.9848       7
    9    H                   1.68         1
                                                 0.892        8

  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  7.667  15.334   0.087  109.41    4       50.9      704.2
    2   0   1   1  8.947  17.895   0.101   79.75    4       54.9      596.9
    3   1   0   1  9.538  19.076   0.108   69.91    4       10.6       19.4
    4   0   2   0  9.815  19.631   0.111   65.9     2        3.5        1.0
    5   1   1   1 10.739  21.479   0.121   54.69    8       54.9      818.1
    6   1   2   0 11.478  22.955   0.129   47.62    4       43.2      220.4
    7   2   0   0 11.845  23.691   0.133   44.58    2       95.3      502.0
    8   0   2   1 12.383  24.765   0.139   40.62    4       25.5       65.7
    9   2   1   0 12.842  25.684   0.144   37.62    4       68.2      433.9
   10   1   2   1 13.753  27.506   0.154   32.55    8       42.5      291.6
   11   2   0   1 14.065  28.13    0.158   31.03    4      172.2     2282.2
   12   2   1   1 14.924  29.848   0.167   27.34    8       23.7       76.0
   13   0   0   2 15.081  30.162   0.169   26.74    2       82.5      225.8
   14   2   2   0 15.476  30.951   0.173   25.29    4       85.8      462.0
   15   0   1   2 15.89   31.78    0.178   23.89    4       29.6       52.1
   16   1   3   0 15.994  31.988   0.179   23.56    4      190.5     2120.9
   17   1   0   2 16.242  32.484   0.182   22.79    4       12.1        8.3
   18   0   3   1 16.672  33.345   0.186   21.53    4        1.0        0.1
   19   1   1   2 17.002  34.003   0.19    20.64    8      138.0     1951.0
   20   2   2   1 17.269  34.537   0.193   19.95    8      103.9     1067.4
   21   1   3   1 17.74   35.481   0.198   18.81    8      106.8     1064.7
   22   0   2   2 18.123  36.246   0.202   17.95    4      100.3      448.1
   23   3   1   0 18.632  37.264   0.207   16.89    4       80.5      271.7
   24   1   2   2 19.12   38.241   0.213   15.95    8       60.7      291.1
   25   2   3   0 19.142  38.284   0.213   15.91    4       93.1      341.9
   26   2   0   2 19.354  38.709   0.215   15.53    4      100.6      389.8
   27   3   0   1 19.528  39.055   0.217   15.22    4        3.8        0.6
   28   0   4   0 19.934  39.869   0.221   14.54    2       67.6       82.5
   29   2   1   2 20.011  40.021   0.222   14.42    8       29.0       60.3
   30   3   1   1 20.179  40.358   0.224   14.15    8       31.8       71.1
   31   3   2   0 20.607  41.213   0.228   13.51    4        1.2        0.0
   32   2   3   1 20.657  41.314   0.229   13.43    8       12.4       10.3
   33   1   4   0 20.858  41.717   0.231   13.14    4       19.2       12.0
   34   0   3   2 21.396  42.791   0.237   12.42    4        8.5        2.2
   35   0   4   1 21.403  42.805   0.237   12.41    4       14.5        6.5
   36   2   2   2 21.881  43.763   0.242   11.81    8       95.5      534.2
   37   3   2   1 22.038  44.076   0.244   11.62    8       35.0       70.7
   38   1   3   2 22.27   44.54    0.246   11.35    8       34.0       65.0
   39   1   4   1 22.277  44.553   0.246   11.34    8        6.5        2.4
   40   2   4   0 23.451  46.903   0.258   10.1     4       79.4      157.7
   41   0   1   3 23.546  47.091   0.259   10.0     4       23.8       14.1
   42   3   3   0 23.593  47.187   0.26     9.96    4       21.5       11.4
   43   3   0   2 23.773  47.546   0.262    9.79    4        1.2        0.0
   44   1   0   3 23.8    47.6     0.262    9.76    4       15.3        5.7
   45   4   0   0 24.239  48.478   0.266    9.37    2       98.8      113.4
   46   3   1   2 24.332  48.665   0.267    9.28    8       65.0      194.7
   47   1   1   3 24.359  48.718   0.268    9.26    8       64.1      188.8
   48   2   3   2 24.746  49.492   0.272    8.94    8       18.6       15.3
   49   2   4   1 24.752  49.504   0.272    8.93    8       49.3      107.7
   50   4   1   0 24.79   49.58    0.272    8.9     4        8.1        1.5
   51   3   3   1 24.888  49.777   0.273    8.82    8      106.5      496.1
   52   0   2   3 25.207  50.413   0.276    8.57    4       46.4       45.8
   53   0   4   2 25.397  50.793   0.278    8.42    4      146.6      448.7
   54   4   0   1 25.51   51.019   0.28     8.34    4        0.6        0.0
   55   3   2   2 25.956  51.912   0.284    8.02    8       16.8       11.3
   56   1   2   3 25.981  51.963   0.284    8.0     8       29.8       35.3
   57   1   5   0 26.0    51.999   0.285    7.98    4       22.2        9.8
   58   4   1   1 26.041  52.082   0.285    7.96    8       42.8       72.4
   59   2   0   3 26.166  52.331   0.286    7.87    4      130.6      333.0
   60   1   4   2 26.167  52.334   0.286    7.87    8       20.8       17.0
   61   4   2   0 26.393  52.786   0.289    7.72    4      181.5      630.7
   62   0   5   1 26.461  52.923   0.289    7.67    4        2.2        0.1
   63   2   1   3 26.688  53.376   0.292    7.52    8       18.3       12.5
   64   1   5   1 27.211  54.421   0.297    7.2     8       74.9      200.1
   65   3   4   0 27.349  54.697   0.298    7.12    4       21.1        7.9
   66   4   2   1 27.592  55.184   0.301    6.97    8        4.0        0.6
   67   0   3   3 27.813  55.626   0.303    6.85    4        8.8        1.3
   68   2   2   3 28.214  56.429   0.307    6.63    8       61.6      124.9
   69   2   5   0 28.232  56.464   0.307    6.62    4       34.5       19.6
   70   2   4   2 28.39   56.781   0.309    6.54    8       85.7      238.4
   71   3   3   2 28.514  57.029   0.31     6.47    8      183.3     1078.5
   72   3   4   1 28.52   57.04    0.31     6.47    8       42.0       56.6
   73   1   3   3 28.538  57.076   0.31     6.46    8       88.1      248.5
   74   4   3   0 28.925  57.85    0.314    6.27    4        2.9        0.1
   75   4   0   2 29.081  58.162   0.316    6.19    4      177.0      480.9
   76   2   5   1 29.38   58.76    0.318    6.05    8       17.3        9.0
   77   4   1   2 29.569  59.137   0.32     5.96    8        9.4        2.6
   78   3   0   3 29.809  59.619   0.323    5.86    4       18.0        4.7
   79   0   5   2 29.955  59.911   0.324    5.79    4        5.9        0.5
   80   4   3   1 30.057  60.113   0.325    5.75    8       50.4       72.3
   81   3   1   3 30.29   60.579   0.327    5.65    8       29.0       23.6
   82   2   3   3 30.647  61.294   0.331    5.51    8        8.2        1.9
   83   1   5   2 30.648  61.296   0.331    5.5     8      154.0      647.3
   84   0   6   0 30.758  61.517   0.332    5.46    2      146.2      144.7
   85   4   2   2 31.002  62.005   0.334    5.37    8       20.6       11.3
   86   0   4   3 31.214  62.427   0.336    5.29    4       50.4       33.3
   87   5   1   0 31.346  62.692   0.338    5.24    4      111.0      160.0
   88   0   0   4 31.357  62.714   0.338    5.23    2      231.6      348.1
   89   1   6   0 31.441  62.881   0.339    5.2     4       14.2        2.6
   90   3   2   3 31.704  63.408   0.341    5.11    8       45.3       51.9
   91   3   5   0 31.72   63.441   0.341    5.1     4      129.8      213.2
   92   0   1   4 31.824  63.647   0.342    5.07    4        1.4        0.0
   93   0   6   1 31.85   63.701   0.343    5.06    4       20.0        5.0
   94   3   4   2 31.868  63.736   0.343    5.05    8       41.0       42.0
   95   1   4   3 31.89   63.781   0.343    5.04    8       23.5       13.8
   96   5   0   1 31.966  63.931   0.344    5.02    4        6.6        0.5
   97   1   0   4 32.032  64.065   0.344    5.0     4       32.6       13.2
   98   4   4   0 32.253  64.506   0.346    4.92    4       90.4       99.8
   99   5   1   1 32.427  64.855   0.348    4.86    8       37.3       33.7
  100   1   1   4 32.493  64.987   0.349    4.84    8       66.3      105.6
  101   1   6   1 32.52   65.04    0.349    4.83    8       26.3       16.5
  102   2   5   2 32.675  65.35    0.35     4.79    8       54.5       70.5
  103   5   2   0 32.735  65.47    0.351    4.77    4       39.2       18.2
  104   3   5   1 32.795  65.589   0.352    4.75    8       72.6      124.3
  105   0   2   4 33.201  66.403   0.355    4.62    4        7.9        0.7
  106   4   3   2 33.313  66.625   0.356    4.59    8       22.3       11.3
  107   4   4   1 33.318  66.636   0.357    4.59    8       22.8       11.9
  108   2   6   0 33.441  66.882   0.358    4.55    4       63.7       45.9
  109   5   2   1 33.792  67.584   0.361    4.46    8       43.7       42.3
  110   1   2   4 33.857  67.714   0.362    4.44    8       34.5       26.1
  111   2   4   3 33.876  67.753   0.362    4.43    8       43.3       41.2
  112   3   3   3 33.989  67.977   0.363    4.4     8       89.3      174.2
  113   2   0   4 34.014  68.028   0.363    4.4     4       45.5       22.6
  114   2   1   4 34.461  68.923   0.367    4.28    8       48.6       50.2
  115   2   6   1 34.487  68.975   0.368    4.27    8      112.3      267.0
  116   4   0   3 34.503  69.006   0.368    4.27    4       12.3        1.6
  117   4   1   3 34.947  69.895   0.372    4.16    8       22.0       10.0
  118   5   3   0 34.985  69.969   0.372    4.15    4       16.2        2.7
  119   0   6   2 35.016  70.031   0.372    4.14    4       33.3       11.4
  120   5   0   2 35.125  70.251   0.373    4.11    4        1.3        0.0
  121   0   5   3 35.302  70.603   0.375    4.07    4       25.2        6.4
  122   0   3   4 35.437  70.874   0.376    4.04    4       18.3        3.3
  123   5   1   2 35.566  71.133   0.378    4.01    8       25.9       13.3
  124   1   6   2 35.655  71.31    0.378    3.99    8       42.4       35.6
  125   2   2   4 35.788  71.577   0.38     3.96    8       62.5       76.7
  126   3   5   2 35.918  71.836   0.381    3.94    8       30.6       18.2
  127   1   5   3 35.939  71.878   0.381    3.93    8       61.3       73.2
  128   5   3   1 36.01   72.021   0.382    3.92    8       79.0      121.4
  129   1   3   4 36.073  72.146   0.382    3.9     8      136.2      359.0
  130   4   2   3 36.267  72.533   0.384    3.86    8       37.1       26.4
  131   4   5   0 36.282  72.563   0.384    3.86    4       12.6        1.5
  132   4   4   2 36.42   72.841   0.385    3.83    8       14.8        4.2
  133   3   6   0 36.652  73.304   0.387    3.79    4        4.9        0.2
  134   5   2   2 36.876  73.753   0.39     3.74    8       48.4       43.5
  135   3   4   3 37.071  74.141   0.391    3.71    8       32.6       19.5
  136   3   0   4 37.203  74.406   0.392    3.68    4        8.0        0.6
  137   1   7   0 37.259  74.518   0.393    3.67    4       34.5       10.8
  138   4   5   1 37.293  74.585   0.393    3.67    8       36.3       23.9
  139   2   6   2 37.547  75.094   0.396    3.62    8       53.0       50.5
  140   3   1   4 37.634  75.269   0.396    3.61    8       84.1      126.4
  141   0   7   1 37.638  75.276   0.396    3.61    4       46.5       19.4
  142   3   6   1 37.659  75.319   0.397    3.6     8       30.0       16.1
  143   2   5   3 37.825  75.651   0.398    3.57    8       25.7       11.7
  144   2   3   4 37.957  75.914   0.399    3.55    8       43.7       33.7
  145   6   0   0 38.011  76.022   0.4      3.54    2       61.5       16.6
  146   5   4   0 38.033  76.066   0.4      3.54    4        3.8        0.1
  147   1   7   1 38.26   76.521   0.402    3.5     8       15.1        4.0
  148   4   3   3 38.425  76.85    0.403    3.48    8       31.3       16.9
  149   6   1   0 38.439  76.878   0.404    3.47    4       53.5       24.7
  150   0   4   4 38.471  76.942   0.404    3.47    4       44.9       17.4
  151   3   2   4 38.919  77.837   0.408    3.4     8       25.8       11.2
  152   6   0   1 39.006  78.012   0.409    3.39    4      145.2      177.1
  153   5   3   2 39.023  78.046   0.409    3.39    8      134.3      302.8
  154   5   4   1 39.028  78.056   0.409    3.39    8       21.0        7.4
  155   1   4   4 39.089  78.178   0.409    3.38    8       16.5        4.6
  156   2   7   0 39.122  78.244   0.41     3.37    4       21.4        3.8
  157   6   1   1 39.431  78.862   0.412    3.33    8       38.1       24.0
  158   6   2   0 39.715  79.431   0.415    3.29    4       62.3       31.7
  159   0   6   3 40.04   80.08    0.418    3.25    4        7.6        0.5
  160   2   7   1 40.109  80.219   0.418    3.24    8        8.1        1.1
  161   5   0   3 40.145  80.29    0.418    3.24    4       32.7        8.6
  162   4   5   2 40.273  80.546   0.42     3.22    8       17.6        4.9
  163   5   1   3 40.567  81.134   0.422    3.19    8       40.5       26.0
  164   0   7   2 40.611  81.221   0.423    3.18    4        7.0        0.4
  165   3   6   2 40.632  81.263   0.423    3.18    8       19.8        6.2
  166   1   6   3 40.652  81.303   0.423    3.18    8       16.7        4.4
  167   6   2   1 40.699  81.398   0.423    3.17    8       43.8       30.2
  168   3   5   3 40.904  81.808   0.425    3.15    8       67.6       71.4
  169   2   4   4 40.928  81.856   0.425    3.15    8       77.5       93.6
  170   4   6   0 40.981  81.963   0.426    3.14    4       37.0       10.6
  171   0   1   5 40.997  81.995   0.426    3.14    4       33.8        8.9
  172   3   3   4 41.033  82.066   0.426    3.13    8       15.0        3.5
  173   1   0   5 41.186  82.373   0.427    3.12    4       11.3        1.0
  174   1   7   2 41.22   82.441   0.428    3.11    8       64.1       63.5
  175   4   4   3 41.387  82.774   0.429    3.1     8       37.9       22.0
  176   4   0   4 41.515  83.031   0.43     3.08    4       70.0       37.5
  177   1   1   5 41.606  83.212   0.431    3.08    8       50.1       38.3
  178   6   3   0 41.82   83.64    0.433    3.06    4        7.8        0.5
  179   5   2   3 41.827  83.654   0.433    3.05    8       41.4       25.9
  180   5   5   0 41.841  83.683   0.433    3.05    4      101.2       77.6
  181   4   1   4 41.934  83.869   0.434    3.04    8       12.1        2.2
  182   6   0   2 41.953  83.906   0.434    3.04    4       43.8       14.5
  183   4   6   1 41.959  83.917   0.434    3.04    8       16.2        4.0
  184   5   4   2 41.974  83.949   0.434    3.04    8       21.8        7.2
  185   3   7   0 42.177  84.353   0.436    3.02    4      102.8       79.3
  186   0   2   5 42.255  84.51    0.436    3.02    4       48.3       17.5
  187   0   5   4 42.27   84.539   0.437    3.01    4        5.5        0.2
  188   6   1   2 42.371  84.743   0.437    3.01    8       17.6        4.6
  189   2   6   3 42.476  84.952   0.438    3.0     8       94.6      133.1
  190   6   3   1 42.794  85.588   0.441    2.97    8       32.0       15.1
  191   5   5   1 42.815  85.631   0.441    2.97    8       54.8       44.3
  192   1   2   5 42.861  85.722   0.442    2.96    8       12.0        2.1
  193   1   5   4 42.875  85.751   0.442    2.96    8       27.5       11.1
  194   0   8   0 42.992  85.983   0.443    2.95    2       60.5       13.4
  195   2   0   5 43.007  86.014   0.443    2.95    4      104.8       80.4
  196   2   7   2 43.041  86.081   0.443    2.95    8       38.3       21.5
  197   3   7   1 43.15   86.299   0.444    2.94    8       41.3       24.8
  198   4   2   4 43.188  86.376   0.444    2.94    8      119.7      208.9
  199   2   1   5 43.424  86.848   0.446    2.92    8        8.4        1.0
  200   1   8   0 43.596  87.192   0.448    2.91    4       20.3        3.0
  201   6   2   2 43.623  87.247   0.448    2.91    8       50.1       36.2
  202   5   3   3 43.914  87.829   0.45     2.89    8       70.9       72.0
  203   3   4   4 43.959  87.918   0.451    2.89    8       10.8        1.7
  204   0   8   1 43.963  87.925   0.451    2.89    4       27.3        5.3
  205   0   3   5 44.341  88.681   0.454    2.86    4       25.0        4.4
  206   1   8   1 44.566  89.133   0.456    2.85    8        3.3        0.2
  207   2   2   5 44.673  89.347   0.456    2.85    8       57.4       46.5
  208   2   5   4 44.688  89.376   0.456    2.84    8       24.9        8.7
  209   6   4   0 44.74   89.481   0.457    2.84    4       45.0       14.3
  210   4   6   2 44.873  89.747   0.458    2.83    8      148.7      310.9
  211   1   3   5 44.944  89.888   0.459    2.83    8       54.0       40.9


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

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

    1   1   1   0   7.667  15.334  5.77361      704.2     30.9     31.1     5.6
    2   0   1   1   8.947  17.895  4.95263      596.9     26.2     26.3     5.6
    3   1   1   1  10.739  21.479  4.13368      818.1     35.8     36.0     5.6
    4   1   2   0  11.478  22.955  3.87105      220.4      9.7      9.7     5.6
    5   2   0   0  11.845  23.691  3.7525       502.0     22.0     22.1     5.6
    6   0   2   1  12.383  24.765  3.59203       65.7      2.9      2.9     5.6
    7   2   1   0  12.842  25.684  3.4656       433.9     19.0     19.0     5.6
    8   1   2   1  13.753  27.506  3.24004      291.6     12.8     12.8     5.6
    9   2   0   1  14.065  28.13   3.16957     2282.2    100.0    100.0     5.6
   10   2   1   1  14.924  29.848  2.99094       76.0      3.3      3.3     5.6
   11   0   0   2  15.081  30.162  2.9605       225.8      9.9      9.9     5.6
   12   2   2   0  15.476  30.951  2.8868       462.0     20.2     20.2     5.6
   13   0   1   2  15.89   31.78   2.81338       52.1      2.3      2.3     5.6
   14   1   3   0  15.994  31.988  2.79555     2120.9     92.9     92.6     5.6
   15   1   1   2  17.002  34.003  2.63437     1951.0     85.5     85.1     5.7
   16   2   2   1  17.269  34.537  2.59483     1067.4     46.8     46.5     5.7
   17   1   3   1  17.74   35.481  2.52795     1064.7     46.6     46.4     5.7
   18   0   2   2  18.123  36.246  2.47632      448.1     19.6     19.5     5.7
   19   3   1   0  18.632  37.264  2.41099      271.7     11.9     11.8     5.7
   20   2   3   0  19.142  38.284  2.34908      633.0     27.7     27.5     5.7
   21   2   0   2  19.354  38.709  2.32425      389.8     17.1     16.9     5.7
   22   0   4   0  19.934  39.869  2.25925       82.5      3.6      3.6     5.7
   23   2   1   2  20.011  40.021  2.25099       60.3      2.6      2.6     5.7
   24   3   1   1  20.179  40.358  2.23297       71.1      3.1      3.1     5.7
   25   2   2   2  21.881  43.763  2.06684      534.2     23.4     23.1     5.7
   26   3   2   1  22.038  44.076  2.05286       70.7      3.1      3.1     5.7
   27   1   3   2  22.27   44.54   2.03257       67.3      3.0      2.9     5.7
   28   2   4   0  23.451  46.903  1.93553      157.7      6.9      6.8     5.7
   29   4   0   0  24.239  48.478  1.87625      113.4      5.0      4.9     5.7
   30   3   1   2  24.332  48.665  1.86948      383.5     16.8     16.5     5.7
   31   2   4   1  24.752  49.504  1.83972      123.0      5.4      5.3     5.7
   32   3   3   1  24.888  49.777  1.83028      496.1     21.7     21.3     5.7
   33   0   2   3  25.207  50.413  1.80866       45.8      2.0      2.0     5.8
   34   0   4   2  25.397  50.793  1.79602      448.7     19.7     19.2     5.8
   35   1   2   3  25.981  51.963  1.75832       56.3      2.5      2.4     5.8
   36   4   1   1  26.041  52.082  1.75456       72.4      3.2      3.1     5.8
   37   2   0   3  26.166  52.331  1.74679      349.9     15.3     15.0     5.8
   38   4   2   0  26.393  52.786  1.7328       630.7     27.6     27.0     5.8
   39   1   5   1  27.211  54.421  1.68455      200.1      8.8      8.5     5.8
   40   2   2   3  28.214  56.429  1.62928      144.5      6.3      6.1     5.8
   41   2   4   2  28.39   56.781  1.62002      238.4     10.4     10.1     5.8
   42   3   3   2  28.514  57.029  1.61356     1383.7     60.6     58.8     5.8
   43   4   0   2  29.081  58.162  1.58479      480.9     21.1     20.4     5.8
   44   4   3   1  30.057  60.113  1.53793       72.3      3.2      3.1     5.8
   45   3   1   3  30.29   60.579  1.52721       23.6      1.0      1.0     5.8
   46   1   5   2  30.648  61.296  1.51105      649.1     28.4     27.4     5.8
   47   0   6   0  30.758  61.517  1.50617      144.7      6.3      6.1     5.8
   48   0   4   3  31.214  62.427  1.48637       33.3      1.5      1.4     5.8
   49   0   0   4  31.357  62.714  1.48025      508.1     22.3     21.4     5.8
   50   3   5   0  31.72   63.441  1.46504      265.1     11.6     11.2     5.9
   51   3   4   2  31.868  63.736  1.45896       60.9      2.7      2.6     5.9
   52   4   4   0  32.253  64.506  1.4434        99.8      4.4      4.2     5.9
   53   5   1   1  32.427  64.855  1.43648       33.7      1.5      1.4     5.9
   54   1   1   4  32.493  64.987  1.43387      122.2      5.4      5.1     5.9
   55   2   5   2  32.675  65.35   1.42678       70.5      3.1      3.0     5.9
   56   3   5   1  32.795  65.589  1.42216      124.3      5.4      5.2     5.9
   57   4   4   1  33.318  66.636  1.40234       23.2      1.0      1.0     5.9
   58   2   6   0  33.441  66.882  1.39778       45.9      2.0      1.9     5.9
   59   5   2   1  33.792  67.584  1.38495       42.3      1.9      1.8     5.9
   60   2   4   3  33.876  67.753  1.38191       67.4      3.0      2.8     5.9
   61   3   3   3  33.989  67.977  1.37789      196.8      8.6      8.2     5.9
   62   2   6   1  34.487  68.975  1.36038      318.8     14.0     13.3     5.9
   63   1   6   2  35.655  71.31   1.32145       35.6      1.6      1.5     5.9
   64   2   2   4  35.788  71.577  1.31718       76.7      3.4      3.2     5.9
   65   1   5   3  35.939  71.878  1.3124        91.4      4.0      3.8     5.9
   66   5   3   1  36.01   72.021  1.31015      121.4      5.3      5.0     5.9
   67   1   3   4  36.073  72.146  1.30818      359.0     15.7     14.9     5.9
   68   4   2   3  36.267  72.533  1.30215       27.9      1.2      1.2     5.9
   69   5   2   2  36.876  73.753  1.28361       43.5      1.9      1.8     6.0
   70   4   5   1  37.293  74.585  1.27133       23.9      1.0      1.0     6.0
   71   2   6   2  37.547  75.094  1.26398       50.5      2.2      2.1     6.0
   72   3   1   4  37.634  75.269  1.26147      161.9      7.1      6.7     6.0
   73   2   3   4  37.957  75.914  1.25235       33.7      1.5      1.4     6.0
   74   6   1   0  38.439  76.878  1.23902       41.6      1.8      1.7     6.0
   75   5   3   2  39.023  78.046  1.22338      487.3     21.4     20.0     6.0
   76   6   1   1  39.431  78.862  1.21275       24.0      1.0      1.0     6.0
   77   6   2   0  39.715  79.431  1.2055        31.7      1.4      1.3     6.0
   78   5   1   3  40.567  81.134  1.18444       26.0      1.1      1.1     6.1
   79   6   2   1  40.699  81.398  1.18126       30.2      1.3      1.2     6.1
   80   2   4   4  40.928  81.856  1.17581      165.1      7.2      6.7     6.1
   81   1   7   2  41.22   82.441  1.16894       63.5      2.8      2.6     6.1
   82   4   0   4  41.515  83.031  1.16212       37.5      1.6      1.5     6.1
   83   1   1   5  41.606  83.212  1.16005       38.3      1.7      1.5     6.1
   84   5   5   0  41.841  83.683  1.15472      103.5      4.5      4.2     6.1
   85   4   6   1  41.959  83.917  1.15209       27.9      1.2      1.1     6.1
   86   3   7   0  42.177  84.353  1.14724       79.3      3.5      3.2     6.1
   87   2   6   3  42.476  84.952  1.14068      133.1      5.8      5.4     6.1
   88   5   5   1  42.815  85.631  1.13337       59.3      2.6      2.4     6.1
   89   2   0   5  43.007  86.014  1.1293        93.8      4.1      3.8     6.1
   90   3   7   1  43.15   86.299  1.1263        24.8      1.1      1.0     6.1
   91   4   2   4  43.188  86.376  1.1255       208.9      9.2      8.4     6.1
   92   6   2   2  43.623  87.247  1.11648       39.1      1.7      1.6     6.2
   93   5   3   3  43.914  87.829  1.11058       72.0      3.2      2.9     6.2
   94   2   2   5  44.673  89.347  1.0956        55.3      2.4      2.2     6.2
   95   4   6   2  44.873  89.747  1.09176      310.9     13.6     12.4     6.2
   96   1   3   5  44.944  89.888  1.0904        40.9      1.8      1.6     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)