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       ***
                  ***********************
HIBBINGITE

1, gamma, t-atacamite

Fe(2)(OH)(3)Cl


Orthorhombic  P nma  Z = 36

Pnma

26 .9 .1995

Ref.Str.:

         Sokolova E.V., Egorov-Tismenko Jr.K. (1990)

         * Kristallogr., 35, 995-997

Ref.Composition & Lattice:

         Saini-Eidukat B. et al. (1994)

         * Amer. Mineral., 79, 555-561

Reserv:

         The coordinates of atoms are consididered to equal to those

         of atacamite.       N.A.D.

                   Initial data from BDM-file 

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

             a =   6.31     alpha =   90.0 
             b =   7.1      beta  =   90.0 
             c =   9.2      gamma =   90.0 

    Unit cell volume (cub. angs.) =   412.17

    Molar volume ( cub.cm/mol.) =     6.9 

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

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

   1 0.0     0.0     0.0      1.48   Fe    = 1.00
   2 0.1915  0.25    0.261    1.09   Fe    = 1.00
   3 0.189   0.25    0.5388   1.3    Cl    = 1.00
   4 0.444   0.052   0.283    1.0    O     = 1.00
   5 0.179   0.25    0.026    1.3    O     = 1.00
   6 0.097   0.074   0.691    2.0    H     = 1.00
   7 0.366   0.25    0.998    2.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.1915     0.25       0.261 
     3       3     0.189      0.25       0.5388
     4       4     0.444      0.052      0.283 
     5       5     0.179      0.25       0.026 
     6       6     0.097      0.074      0.691 
     7       7     0.366      0.25       0.998 
     8       1     0.5        0.0        0.5   
     9       2     0.3085     0.75       0.761 
    10       3     0.311      0.75       0.0388
    11       4     0.056      0.948      0.783 
    12       5     0.321      0.75       0.526 
    13       6     0.403      0.926      0.191 
    14       7     0.134      0.75       0.498 
    15       1     0.5        0.5        0.5   
    16       4     0.056      0.552      0.783 
    17       6     0.403      0.574      0.191 
    18       1     0.0        0.5        0.0   
    19       4     0.444      0.448      0.283 
    20       6     0.097      0.426      0.691 
    21       2     0.6915     0.25       0.239 
    22       3     0.689      0.25       0.9612
    23       4     0.944      0.052      0.217 
    24       5     0.679      0.25       0.474 
    25       6     0.597      0.074      0.809 
    26       7     0.866      0.25       0.502 
    27       2     0.8085     0.75       0.739 
    28       3     0.811      0.75       0.4612
    29       4     0.556      0.948      0.717 
    30       5     0.821      0.75       0.974 
    31       6     0.903      0.926      0.309 
    32       7     0.634      0.75       0.002 
    33       4     0.556      0.552      0.717 
    34       6     0.903      0.574      0.309 
    35       4     0.944      0.448      0.217 
    36       6     0.597      0.426      0.809 


X-ray density (g/cm cub.)   =      3.19

MU (1/cm) =     623.663    Mass attenuation coefficient (cm**2/g) =    195.355

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

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

    1    Fe                  3.132        6
                                                 2.1174       5
                                                 2.67         3
                                                 2.0608       4
                                                 2.67         3
                                                 2.0608       4
                                                 2.1174       5
    2    Fe                  3.132        6
                                                 2.5558       3
                                                 2.1344       4
                                                 2.1634       5
                                                 2.1344       4
                                                 2.1399       4
                                                 2.1399       4
    3    Cl                  4.344       14
                                                 3.1786       4
                                                 3.217        4
                                                 3.6483       5
                                                 3.6483       5
                                                 3.217        4
                                                 3.1786       4
                                                 3.6237       4
                                                 3.1488       5
                                                 3.2729       5
                                                 4.336        3
                                                 4.336        3
                                                 3.5564       4
                                                 3.5564       4
                                                 3.6237       4
    4    O                   3.804       10
                                                 3.1786       3
                                                 3.2191       5
                                                 3.217        3
                                                 3.1934       5
                                                 2.8116       4
                                                 3.6237       3
                                                 3.2129       4
                                                 3.2129       4
                                                 2.695        5
                                                 3.5564       3
    5    O                   3.804       10
                                                 3.2191       4
                                                 3.6483       3
                                                 3.6483       3
                                                 3.1934       4
                                                 3.1934       4
                                                 3.2191       4
                                                 3.2729       3
                                                 3.1488       3
                                                 2.695        4
                                                 2.695        4
    6    H                   2.172        2
                                                 1.9645       3
                                                 1.2584       4
    7    H                   2.172        2
                                                 1.2078       5
                                                 2.0661       3

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

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

    1   0   1   1  7.877  15.753   0.089  103.55    4       96.1     2249.8
    2   1   0   1  8.513  17.025   0.096   88.34    4       84.2     1474.5
    3   0   0   2  9.64   19.279   0.109   68.4     2       27.1       59.2
    4   1   1   1 10.575  21.15    0.119   56.47    8       33.5      299.1
    5   1   0   2 11.96   23.92    0.135   43.69    4       16.3       27.5
    6   0   2   0 12.532  25.063   0.141   39.61    2       40.2       75.3
    7   1   1   2 13.527  27.054   0.152   33.71    8       16.5       43.3
    8   2   0   0 14.131  28.263   0.158   30.72    2        5.5        1.1
    9   2   0   1 14.958  29.915   0.168   27.21    4       11.5        8.5
   10   1   2   1 15.228  30.456   0.17    26.18    8       95.1     1114.1
   11   2   1   0 15.496  30.991   0.173   25.22    4       94.9      535.0
   12   0   1   3 15.879  31.758   0.178   23.93    4      108.6      663.9
   13   0   2   2 15.907  31.815   0.178   23.84    4       45.9      118.4
   14   1   0   3 16.217  32.433   0.181   22.87    4       51.7      143.9
   15   2   1   1 16.259  32.518   0.182   22.74    8       39.2      164.7
   16   2   0   2 17.221  34.441   0.192   20.07    4       50.7      121.5
   17   1   1   3 17.434  34.868   0.194   19.54    8        4.1        1.6
   18   1   2   2 17.46   34.92    0.195   19.47    8       21.5       42.3
   19   2   1   2 18.379  36.759   0.205   17.4     8        1.2        0.1
   20   2   2   0 19.064  38.129   0.212   16.05    4      193.7     1418.8
   21   0   0   4 19.567  39.133   0.217   15.16    2      206.7      762.0
   22   0   3   1 19.637  39.275   0.218   15.03    4       32.2       36.6
   23   2   2   1 19.706  39.412   0.219   14.92    8       64.1      289.1
   24   2   0   3 20.505  41.009   0.227   13.66    4       35.3       40.0
   25   1   2   3 20.711  41.422   0.23    13.35    8       51.7      167.9
   26   1   0   4 20.883  41.766   0.231   13.11    4       68.5      144.9
   27   1   3   1 20.95   41.9     0.232   13.02    8       21.5       28.3
   28   2   1   3 21.512  43.024   0.238   12.27    8       55.6      178.3
   29   2   2   2 21.534  43.068   0.238   12.24    8       32.6       61.3
   30   1   1   4 21.876  43.752   0.242   11.81    8       14.7       12.0
   31   3   0   1 22.066  44.131   0.244   11.58    4       92.5      233.2
   32   1   3   2 22.696  45.392   0.25    10.87    8        6.7        2.3
   33   3   1   1 23.018  46.036   0.254   10.53    8       12.2        7.4
   34   0   2   4 23.519  47.038   0.259   10.03    4       17.6        7.3
   35   3   0   2 23.746  47.492   0.261    9.81    4       15.3        5.4
   36   2   3   0 24.008  48.016   0.264    9.57    4       96.7      210.8
   37   0   3   3 24.275  48.551   0.267    9.33    4       56.7       70.6
   38   2   2   3 24.333  48.666   0.267    9.28    8       67.3      197.9
   39   2   0   4 24.485  48.969   0.269    9.15    4        9.5        1.9
   40   2   3   1 24.544  49.088   0.27     9.1     8       60.7      157.8
   41   3   1   2 24.648  49.296   0.271    9.02    8       12.1        6.2
   42   1   2   4 24.665  49.329   0.271    9.0     8       48.1       98.3
   43   2   1   4 25.367  50.734   0.278    8.45    8       57.6      131.9
   44   1   3   3 25.395  50.791   0.278    8.42    8        7.4        2.2
   45   0   1   5 25.624  51.248   0.281    8.25    4       38.4       28.6
   46   3   2   1 25.711  51.421   0.282    8.19    8       38.1       56.0
   47   0   4   0 25.719  51.438   0.282    8.18    2      179.5      310.3
   48   1   0   5 25.853  51.706   0.283    8.09    4       73.5      102.9
   49   2   3   2 26.102  52.205   0.286    7.91    8       20.4       15.5
   50   3   0   3 26.364  52.729   0.288    7.74    4       48.9       43.5
   51   1   1   5 26.703  53.405   0.292    7.51    8       23.2       19.1
   52   3   1   3 27.203  54.405   0.297    7.2     8        9.0        2.8
   53   3   2   2 27.221  54.442   0.297    7.19    8        3.2        0.4
   54   1   4   1 27.291  54.582   0.298    7.15    8       48.2       78.2
   55   0   4   2 27.72   55.44    0.302    6.9     4       37.9       23.4
   56   2   2   4 27.892  55.785   0.304    6.8     8      128.2      526.9
   57   2   3   3 28.565  57.129   0.31     6.45    8       67.2      137.2
   58   1   4   2 28.744  57.488   0.312    6.36    8       10.6        3.4
   59   1   3   4 28.862  57.723   0.313    6.3     8       37.8       42.5
   60   2   0   5 28.988  57.975   0.315    6.24    4       11.3        1.9
   61   1   2   5 29.148  58.296   0.316    6.16    8       77.3      173.1
   62   4   0   0 29.228  58.457   0.317    6.12    2       58.2       24.4
   63   3   2   3 29.621  59.241   0.321    5.94    8       42.9       51.5
   64   4   0   1 29.697  59.395   0.322    5.91    4       75.4       79.0
   65   3   0   4 29.753  59.506   0.322    5.88    4        3.8        0.2
   66   2   1   5 29.776  59.553   0.322    5.87    8       17.3        8.3
   67   3   3   1 29.805  59.61    0.323    5.86    8       17.2        8.2
   68   2   4   0 29.863  59.726   0.323    5.83    4       15.6        3.3
   69   4   1   0 30.013  60.026   0.325    5.77    4      107.2      156.0
   70   0   0   6 30.156  60.312   0.326    5.71    2        6.5        0.3
   71   2   4   1 30.326  60.651   0.328    5.64    8       27.4       19.9
   72   4   1   1 30.475  60.949   0.329    5.57    8        6.5        1.1
   73   3   1   4 30.53   61.059   0.33     5.55    8       48.3       61.1
   74   1   4   3 31.068  62.136   0.335    5.34    8       44.4       49.7
   75   4   0   2 31.078  62.156   0.335    5.34    4       39.0       19.1
   76   1   0   6 31.13   62.259   0.336    5.32    4       12.1        1.8
   77   3   3   2 31.183  62.366   0.336    5.3     8       15.6        6.0
   78   2   4   2 31.69   63.381   0.341    5.11    8       53.5       68.8
   79   2   3   4 31.801  63.602   0.342    5.07    8       61.2       89.6
   80   4   1   2 31.836  63.671   0.342    5.06    8       17.6        7.4
   81   1   1   6 31.886  63.773   0.343    5.05    8       16.8        6.7
   82   0   3   5 32.023  64.047   0.344    5.0     4       15.3        2.8
   83   2   2   5 32.072  64.143   0.345    4.98    8       24.6       14.2
   84   4   2   0 32.299  64.597   0.347    4.91    4       47.4       26.0
   85   4   2   1 32.742  65.483   0.351    4.76    8       23.8       12.7
   86   3   2   4 32.794  65.589   0.352    4.75    8       30.1       20.3
   87   1   3   5 32.966  65.931   0.353    4.7     8       10.6        2.5
   88   0   2   6 33.176  66.352   0.355    4.63    4       74.8       61.1
   89   0   4   4 33.241  66.482   0.356    4.61    4      125.0      169.8
   90   0   5   1 33.29   66.58    0.356    4.6     4       66.0       47.1
   91   4   0   3 33.306  66.612   0.356    4.59    4       82.6       73.7
   92   3   3   3 33.407  66.814   0.357    4.56    8        8.6        1.6
   93   3   0   5 33.794  67.588   0.361    4.45    4       73.2       56.2
   94   2   4   3 33.896  67.793   0.362    4.43    8       38.2       30.4
   95   2   0   6 33.955  67.91    0.363    4.41    4       65.9       45.1
   96   4   1   3 34.037  68.073   0.363    4.39    8        7.8        1.3
   97   4   2   2 34.053  68.105   0.363    4.38    8       49.7       51.0
   98   1   2   6 34.102  68.203   0.364    4.37    8       24.3       12.1
   99   1   4   4 34.166  68.332   0.365    4.35    8       43.3       38.5
  100   1   5   1 34.214  68.428   0.365    4.34    8       21.5        9.4
  101   3   1   5 34.52   69.039   0.368    4.26    8        3.8        0.3
  102   2   1   6 34.679  69.358   0.369    4.22    8       20.5        8.3
  103   3   4   1 35.028  70.056   0.373    4.14    8       63.7       79.0
  104   1   5   2 35.499  70.997   0.377    4.03    8       13.5        3.4
  105   2   3   5 35.716  71.433   0.379    3.98    8       24.4       11.2
  106   4   3   0 35.932  71.864   0.381    3.93    4       67.0       41.6
  107   4   2   3 36.187  72.374   0.383    3.88    8       44.0       35.4
  108   3   4   2 36.3    72.6     0.384    3.86    8        5.8        0.6
  109   4   0   4 36.307  72.613   0.384    3.86    4       47.4       20.4
  110   4   3   1 36.353  72.707   0.385    3.85    8        0.1        0.0
  111   3   3   4 36.404  72.807   0.385    3.84    8       32.6       19.2
  112   2   5   0 36.503  73.005   0.386    3.82    4       44.1       17.5
  113   0   1   7 36.587  73.174   0.387    3.8     4       59.7       31.9
  114   3   2   5 36.658  73.315   0.388    3.79    8       33.5       20.0
  115   0   5   3 36.711  73.422   0.388    3.77    4       75.0       50.0
  116   1   0   7 36.774  73.548   0.389    3.76    4       32.4        9.3
  117   2   2   6 36.813  73.626   0.389    3.76    8       13.5        3.2
  118   2   4   4 36.875  73.751   0.39     3.74    8        3.7        0.2
  119   2   5   1 36.922  73.844   0.39     3.73    8       13.0        3.0
  120   4   1   4 37.011  74.021   0.391    3.72    8       70.6       87.3
  121   1   1   7 37.475  74.949   0.395    3.63    8       29.1       14.5
  122   1   5   3 37.598  75.196   0.396    3.61    8        2.1        0.1
  123   4   3   2 37.607  75.215   0.396    3.61    8        6.5        0.7
  124   1   3   6 37.654  75.309   0.397    3.6     8        8.5        1.2
  125   1   4   5 37.967  75.933   0.399    3.55    8       38.8       25.2
  126   5   0   1 38.03   76.061   0.4      3.54    4       19.7        3.2
  127   2   5   2 38.169  76.338   0.401    3.52    8        7.1        0.8
  128   3   4   3 38.383  76.765   0.403    3.48    8       41.4       28.2
  129   3   0   6 38.438  76.877   0.404    3.47    4       21.6        3.8
  130   5   1   1 38.723  77.447   0.406    3.43    8        2.1        0.1
  131   4   2   4 39.095  78.19    0.409    3.38    8       38.4       23.4
  132   3   1   6 39.129  78.258   0.41     3.37    8       14.5        3.4
  133   5   0   2 39.266  78.531   0.411    3.35    4       12.5        1.2
  134   2   0   7 39.413  78.825   0.412    3.33    4       35.7       10.0
  135   1   2   7 39.551  79.103   0.413    3.31    8       14.5        3.3
  136   4   3   3 39.667  79.333   0.414    3.3     8        3.2        0.2
  137   5   1   2 39.952  79.904   0.417    3.26    8        8.0        1.0
  138   4   0   5 40.029  80.059   0.417    3.25    4       29.4        6.6
  139   2   1   7 40.099  80.197   0.418    3.24    8       39.8       24.2
  140   3   3   5 40.123  80.247   0.418    3.24    8       21.8        7.2
  141   2   5   3 40.219  80.439   0.419    3.23    8       27.6       11.6
  142   2   3   6 40.275  80.549   0.42     3.22    8       23.2        8.2
  143   1   5   4 40.473  80.946   0.421    3.2     8        0.7        0.0
  144   2   4   5 40.581  81.162   0.422    3.18    8       11.6        2.0
  145   0   6   0 40.613  81.225   0.423    3.18    2       46.9        8.2
  146   4   1   5 40.713  81.425   0.423    3.17    8        1.9        0.1
  147   5   2   1 40.781  81.563   0.424    3.16    8       56.4       47.4
  148   4   4   0 40.788  81.576   0.424    3.16    4       41.0       12.5
  149   3   2   6 41.182  82.364   0.427    3.12    8        6.8        0.7
  150   4   4   1 41.194  82.387   0.428    3.12    8       39.1       22.4
  151   3   4   4 41.242  82.484   0.428    3.11    8       11.6        2.0
  152   3   5   1 41.287  82.574   0.428    3.11    8        6.2        0.6
  153   5   0   3 41.302  82.604   0.428    3.11    4       34.1        8.5
  154   0   4   6 41.593  83.187   0.431    3.08    4        7.0        0.4
  155   1   6   1 41.879  83.758   0.433    3.05    8       42.0       25.3
  156   5   1   3 41.981  83.962   0.434    3.04    8        2.7        0.1
  157   5   2   2 41.996  83.992   0.434    3.04    8        1.4        0.0
  158   0   0   8 42.052  84.105   0.435    3.03    2       59.7       12.7
  159   0   3   7 42.097  84.194   0.435    3.03    4       49.4       17.4
  160   2   2   7 42.141  84.282   0.436    3.03    8       35.2       17.6
  161   0   6   2 42.232  84.464   0.436    3.02    4       49.7       17.6
  162   4   4   2 42.406  84.812   0.438    3.0     8       29.7       12.5
  163   1   4   6 42.452  84.904   0.438    3.0     8       13.9        2.7
  164   3   5   2 42.499  84.999   0.439    2.99    8        5.4        0.4
  165   4   3   4 42.506  85.011   0.439    2.99    8       47.6       31.9
  166   4   2   5 42.749  85.499   0.441    2.97    8       10.8        1.6
  167   1   0   8 42.909  85.819   0.442    2.96    4       53.9       20.3
  168   1   3   7 42.954  85.909   0.442    2.96    8       17.8        4.4
  169   2   5   4 43.052  86.103   0.443    2.95    8       31.3       13.6
  170   1   6   2 43.089  86.177   0.443    2.95    8        7.9        0.9
  171   0   5   5 43.252  86.503   0.445    2.94    4       27.1        5.1
  172   1   1   8 43.585  87.17    0.448    2.91    8       13.9        2.6
  173   3   0   7 43.717  87.433   0.449    2.9     4        4.1        0.1
  174   5   2   3 44.009  88.019   0.451    2.88    8       39.4       21.1
  175   2   6   0 44.045  88.09    0.451    2.88    4       79.3       42.7
  176   1   5   5 44.106  88.213   0.452    2.88    8       19.7        5.3
  177   5   0   4 44.124  88.247   0.452    2.88    4        0.1        0.0
  178   5   3   1 44.168  88.337   0.452    2.87    8        6.5        0.6
  179   3   1   7 44.391  88.783   0.454    2.86    8        4.7        0.3
  180   4   4   3 44.418  88.836   0.454    2.86    8       51.9       36.3
  181   2   6   1 44.447  88.893   0.455    2.86    8       16.6        3.7
  182   4   0   6 44.472  88.945   0.455    2.86    4       27.9        5.2
  183   3   5   3 44.511  89.021   0.455    2.85    8       11.8        1.9
  184   3   3   6 44.565  89.13    0.455    2.85    8       22.3        6.7
  185   0   2   8 44.755  89.51    0.457    2.84    4        7.6        0.4
  186   5   1   4 44.798  89.596   0.457    2.84    8       33.5       15.0
  187   3   4   5 44.868  89.735   0.458    2.84    8       48.8       31.8


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

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

    1   0   1   1   7.877  15.753  5.62081     2249.8    100.0    100.0     5.6
    2   1   0   1   8.513  17.025  5.20366     1474.5     65.5     65.5     5.6
    3   0   0   2   9.64   19.279  4.6           59.2      2.6      2.6     5.6
    4   1   1   1  10.575  21.15   4.19711      299.1     13.3     13.2     5.6
    5   1   0   2  11.96   23.92   3.71713       27.5      1.2      1.2     5.6
    6   0   2   0  12.532  25.063  3.55          75.3      3.3      3.3     5.6
    7   1   1   2  13.527  27.054  3.29311       43.3      1.9      1.9     5.6
    8   1   2   1  15.228  30.456  2.93257     1114.1     49.5     49.0     5.6
    9   2   1   0  15.496  30.991  2.88316      535.0     23.8     23.5     5.6
   10   0   1   3  15.879  31.758  2.81528      663.9     29.5     29.2     5.6
   11   0   2   2  15.907  31.815  2.81041      118.4      5.3      5.2     5.6
   12   1   0   3  16.217  32.433  2.75818      143.9      6.4      6.3     5.6
   13   2   1   1  16.259  32.518  2.75122      164.7      7.3      7.2     5.6
   14   2   0   2  17.221  34.441  2.60183      121.5      5.4      5.3     5.7
   15   1   2   2  17.46   34.92   2.56728       43.9      2.0      1.9     5.7
   16   2   2   0  19.064  38.129  2.35826     1418.8     63.1     62.0     5.7
   17   0   0   4  19.567  39.133  2.3          762.0     33.9     33.2     5.7
   18   0   3   1  19.637  39.275  2.29204       36.6      1.6      1.6     5.7
   19   2   2   1  19.706  39.412  2.2844       289.1     12.8     12.6     5.7
   20   2   0   3  20.505  41.009  2.19903       40.0      1.8      1.7     5.7
   21   1   2   3  20.711  41.422  2.17805      167.9      7.5      7.3     5.7
   22   1   0   4  20.883  41.766  2.16092      144.9      6.4      6.3     5.7
   23   1   3   1  20.95   41.9    2.15432       28.3      1.3      1.2     5.7
   24   2   1   3  21.512  43.024  2.10058      239.6     10.7     10.4     5.7
   25   3   0   1  22.066  44.131  2.05043      233.2     10.4     10.1     5.7
   26   2   3   0  24.008  48.016  1.89321      210.8      9.4      9.1     5.7
   27   0   3   3  24.275  48.551  1.8736        70.6      3.1      3.0     5.7
   28   2   2   3  24.333  48.666  1.86942      197.9      8.8      8.5     5.7
   29   2   3   1  24.544  49.088  1.85436      157.8      7.0      6.8     5.7
   30   1   2   4  24.665  49.329  1.84585      104.5      4.6      4.5     5.7
   31   2   1   4  25.367  50.734  1.79798      134.0      6.0      5.8     5.8
   32   0   1   5  25.624  51.248  1.78116       28.6      1.3      1.2     5.8
   33   0   4   0  25.719  51.438  1.775        366.3     16.3     15.8     5.8
   34   1   0   5  25.853  51.706  1.76643      102.9      4.6      4.4     5.8
   35   3   0   3  26.364  52.729  1.73455       43.5      1.9      1.9     5.8
   36   1   4   1  27.291  54.582  1.67995       78.2      3.5      3.4     5.8
   37   0   4   2  27.72   55.44   1.65599       23.4      1.0      1.0     5.8
   38   2   2   4  27.892  55.785  1.64656      526.9     23.4     22.6     5.8
   39   2   3   3  28.565  57.129  1.61095      137.2      6.1      5.9     5.8
   40   1   3   4  28.862  57.723  1.59579       42.5      1.9      1.8     5.8
   41   1   2   5  29.148  58.296  1.58147      173.1      7.7      7.4     5.8
   42   4   0   0  29.228  58.457  1.5775        24.4      1.1      1.0     5.8
   43   3   2   3  29.621  59.241  1.55847       51.5      2.3      2.2     5.8
   44   4   0   1  29.697  59.395  1.55481       79.0      3.5      3.4     5.8
   45   4   1   0  30.013  60.026  1.53995      156.0      6.9      6.6     5.8
   46   3   1   4  30.53   61.059  1.51635       61.1      2.7      2.6     5.8
   47   1   4   3  31.068  62.136  1.49263       68.8      3.1      2.9     5.8
   48   2   4   2  31.69   63.381  1.46628       68.8      3.1      2.9     5.9
   49   2   3   4  31.801  63.602  1.46171       89.6      4.0      3.8     5.9
   50   4   2   0  32.299  64.597  1.44158       26.0      1.2      1.1     5.9
   51   0   2   6  33.176  66.352  1.40764       61.1      2.7      2.6     5.9
   52   0   4   4  33.241  66.482  1.4052       169.8      7.5      7.1     5.9
   53   4   0   3  33.306  66.612  1.40278      120.8      5.4      5.1     5.9
   54   3   0   5  33.794  67.588  1.38488       56.2      2.5      2.4     5.9
   55   2   4   3  33.896  67.793  1.38119       30.4      1.3      1.3     5.9
   56   2   0   6  33.955  67.91   1.37909       45.1      2.0      1.9     5.9
   57   4   2   2  34.053  68.105  1.37561       52.3      2.3      2.2     5.9
   58   1   4   4  34.166  68.332  1.3716        38.5      1.7      1.6     5.9
   59   3   4   1  35.028  70.056  1.34201       79.0      3.5      3.3     5.9
   60   4   3   0  35.932  71.864  1.31263       41.6      1.8      1.7     5.9
   61   4   2   3  36.187  72.374  1.30462       35.4      1.6      1.5     5.9
   62   0   1   7  36.587  73.174  1.29233       31.9      1.4      1.3     6.0
   63   0   5   3  36.711  73.422  1.28856       50.0      2.2      2.1     6.0
   64   4   1   4  37.011  74.021  1.27961       87.3      3.9      3.6     6.0
   65   1   4   5  37.967  75.933  1.25207       25.2      1.1      1.0     6.0
   66   3   4   3  38.383  76.765  1.24057       28.2      1.3      1.2     6.0
   67   4   2   4  39.095  78.19   1.22148       23.4      1.0      1.0     6.0
   68   2   1   7  40.099  80.197  1.19589       31.5      1.4      1.3     6.0
   69   5   2   1  40.781  81.563  1.17929       59.9      2.7      2.4     6.1
   70   1   6   1  41.879  83.758  1.15387       25.3      1.1      1.0     6.1
   71   4   3   4  42.506  85.011  1.14004       31.9      1.4      1.3     6.1
   72   2   6   0  44.045  88.09   1.10797       42.7      1.9      1.7     6.2
   73   4   4   3  44.418  88.836  1.10058       40.0      1.8      1.6     6.2
   74   3   4   5  44.868  89.735  1.09187       31.8      1.4      1.3     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)