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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MIKASAITE

1, syn

Fe(2)[SO(4)](3)


Hexagonal  R 3(-)  Z = 6

R3(-)

30 .11 .1907

Ref.Str.:

         Christidis P.C., Rentzeperis P.J. (1976)

         * Z. Kristallogr., 144, 341-352

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   8.2362   alpha =   90.0 
             b =   8.2362   beta  =   90.0 
             c =  22.1786   gamma =  120.0 

    Unit cell volume (cub. angs.) =  1302.92

    Molar volume ( cub.cm/mol.) =   130.8 

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

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

   1 0.0     0.0     0.1441   0.0    Fe    = 1.00
   2 0.0     0.0     0.3507   0.0    Fe    = 1.00
   3 0.2904  0.2882  0.2507   0.0    S     = 1.00
   4 0.1943  0.2048  0.1938   0.0    O     = 1.00
   5 0.224   0.1456  0.2984   0.0    O     = 1.00
   6 0.4922  0.3634  0.2436   0.0    O     = 1.00
   7 0.2527  0.4393  0.2659   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.1441
     2       2     0.0        0.0        0.3507
     3       3     0.2904     0.2882     0.2507
     4       4     0.1943     0.2048     0.1938
     5       5     0.224      0.1456     0.2984
     6       6     0.4922     0.3634     0.2436
     7       7     0.2527     0.4393     0.2659
     8       3     0.7118     0.0022     0.2507
     9       3     0.9978     0.7096     0.2507
    10       4     0.7952     0.9895     0.1938
    11       4     0.0105     0.8057     0.1938
    12       5     0.8544     0.0784     0.2984
    13       5     0.9216     0.776      0.2984
    14       6     0.6366     0.1288     0.2436
    15       6     0.8712     0.5078     0.2436
    16       7     0.5607     0.8134     0.2659
    17       7     0.1866     0.7473     0.2659
    18       1     0.6667     0.3333     0.4774
    19       1     0.3333     0.6667     0.8108
    20       2     0.6667     0.3333     0.684 
    21       2     0.3333     0.6667     0.0174
    22       3     0.3785     0.3356     0.584 
    23       3     0.3311     0.3762     0.9174
    24       4     0.4619     0.3228     0.5272
    25       4     0.3438     0.4724     0.8605
    26       5     0.5211     0.4117     0.6318
    27       5     0.2549     0.4427     0.9651
    28       6     0.3033     0.4621     0.5769
    29       6     0.2045     0.1745     0.9102
    30       7     0.2274     0.1467     0.5992
    31       7     0.5199     0.414      0.9326
    32       3     0.6644     0.0429     0.584 
    33       3     0.6238     0.9548     0.9174
    34       3     0.9571     0.6215     0.584 
    35       3     0.0451     0.6689     0.9174
    36       4     0.6772     0.139      0.5272
    37       4     0.5276     0.8715     0.8605
    38       4     0.861      0.5381     0.5272
    39       4     0.1285     0.6562     0.8605
    40       5     0.5883     0.1093     0.6318
    41       5     0.5573     0.8123     0.9651
    42       5     0.8907     0.4789     0.6318
    43       5     0.1877     0.745      0.9651
    44       6     0.5379     0.8411     0.5769
    45       6     0.8255     0.0301     0.9102
    46       6     0.1589     0.6967     0.5769
    47       6     0.9699     0.7954     0.9102
    48       7     0.8533     0.0806     0.5992
    49       7     0.586      0.106      0.9326
    50       7     0.9194     0.7726     0.5992
    51       7     0.894      0.4801     0.9326
    52       1     0.0        0.0        0.8559
    53       2     0.0        0.0        0.6493
    54       3     0.7096     0.7118     0.7493
    55       4     0.8057     0.7952     0.8062
    56       5     0.776      0.8544     0.7016
    57       6     0.5078     0.6366     0.7564
    58       7     0.7473     0.5607     0.7341
    59       3     0.2882     0.9978     0.7493
    60       3     0.0022     0.2904     0.7493
    61       4     0.2048     0.0105     0.8062
    62       4     0.9895     0.1943     0.8062
    63       5     0.1456     0.9216     0.7016
    64       5     0.0784     0.224      0.7016
    65       6     0.3634     0.8712     0.7564
    66       6     0.1288     0.4922     0.7564
    67       7     0.4393     0.1866     0.7341
    68       7     0.8134     0.2527     0.7341
    69       1     0.3333     0.6667     0.5226
    70       1     0.6667     0.3333     0.1892
    71       2     0.3333     0.6667     0.316 
    72       2     0.6667     0.3333     0.9826
    73       3     0.6215     0.6644     0.416 
    74       3     0.6689     0.6238     0.0826
    75       4     0.5381     0.6772     0.4728
    76       4     0.6562     0.5276     0.1395
    77       5     0.4789     0.5883     0.3682
    78       5     0.7451     0.5573     0.0349
    79       6     0.6967     0.5379     0.4231
    80       6     0.7955     0.8255     0.0898
    81       7     0.7726     0.8533     0.4008
    82       7     0.4801     0.586      0.0674
    83       3     0.3356     0.9571     0.416 
    84       3     0.3762     0.0452     0.0826
    85       3     0.0429     0.3785     0.416 
    86       3     0.9549     0.3311     0.0826
    87       4     0.3228     0.861      0.4728
    88       4     0.4724     0.1285     0.1395
    89       4     0.139      0.4619     0.4728
    90       4     0.8715     0.3438     0.1395
    91       5     0.4117     0.8907     0.3682
    92       5     0.4427     0.1877     0.0349
    93       5     0.1093     0.5211     0.3682
    94       5     0.8123     0.255      0.0349
    95       6     0.4621     0.1589     0.4231
    96       6     0.1745     0.9699     0.0898
    97       6     0.8411     0.3033     0.4231
    98       6     0.0301     0.2046     0.0898
    99       7     0.1467     0.9194     0.4008
   100       7     0.414      0.894      0.0674
   101       7     0.0806     0.2274     0.4008
   102       7     0.106      0.5199     0.0674


X-ray density (g/cm cub.)   =      3.06

MU (1/cm) =     171.198    Mass attenuation coefficient (cm**2/g) =     56.008

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

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

    1    Fe                  2.592        6
                                                 1.9805       4
                                                 1.9805       4
                                                 1.9805       4
                                                 1.9836       6
                                                 1.9837       6
                                                 1.9838       6
    2    Fe                  2.592        6
                                                 1.9933       5
                                                 1.9933       5
                                                 1.9933       5
                                                 1.9842       7
                                                 1.9843       7
                                                 1.9842       7
    3    S                   1.98         4
                                                 1.4654       4
                                                 1.4682       5
                                                 1.4631       6
                                                 1.4649       7
    4    O                   3.264        8
                                                 2.4083       5
                                                 2.3957       6
                                                 2.364        7
                                                 2.8496       4
                                                 2.8496       4
                                                 2.9204       4
                                                 2.9629       6
                                                 2.6745       6
    5    O                   3.264        8
                                                 2.4083       4
                                                 2.3695       6
                                                 2.4199       7
                                                 2.8085       5
                                                 2.8085       5
                                                 3.2197       7
                                                 2.8005       7
                                                 2.7919       7
    6    O                   3.264        7
                                                 2.3957       4
                                                 2.3695       5
                                                 2.4          7
                                                 2.7288       6
                                                 2.7288       6
                                                 2.6746       4
                                                 2.9629       4
    7    O                   3.264        8
                                                 2.364        4
                                                 2.4199       5
                                                 2.4          6
                                                 3.2197       5
                                                 2.8482       7
                                                 2.8482       7
                                                 2.8005       5
                                                 2.7919       5

  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   0   3  6.949  13.898   0.068  133.67    2       21.9        7.6
    2   1   0   1  7.569  15.139   0.074  112.31    6       14.0        7.8
    3   1   0  -2  8.575  17.15    0.083   87.02    6      182.5     1023.9
    4   1   0   4 11.79   23.58    0.114   45.02    6      243.9      946.9
    5   1   1   0 12.545  25.09    0.121   39.53    6      145.5      295.9
    6   1   0  -5 13.737  27.474   0.133   32.63    6       26.3        8.0
    7   0   0   6 14.003  28.007   0.135   31.32    2      163.7       98.9
    8   1   1  -3 14.396  28.793   0.139   29.53    6      300.4      941.6
    9   1   1   3 14.396  28.793   0.139   29.53    6      289.9      877.4
   10   2   0  -1 14.716  29.432   0.142   28.18    6        6.8        0.5
   11   2   0   2 15.275  30.55    0.147   26.01    6        4.2        0.2
   12   2   0  -4 17.35   34.7     0.167   19.74    6      328.1      751.0
   13   1   0   7 17.993  35.987   0.173   18.23    6       13.1        1.1
   14   2   0   5 18.773  37.545   0.18    16.61    6       26.3        4.1
   15   1   1  -6 18.975  37.951   0.182   16.22    6      265.9      405.4
   16   1   1   6 18.975  37.951   0.182   16.22    6      286.2      469.7
   17   1   2  -1 19.525  39.051   0.187   15.23    6      141.3      107.5
   18   2   1   1 19.525  39.051   0.187   15.23    6      131.9       93.7
   19   1   2   2 19.965  39.93    0.191   14.49    6        3.5        0.1
   20   2   1  -2 19.965  39.93    0.191   14.49    6        7.3        0.3
   21   1   0  -8 20.252  40.504   0.193   14.04    6       52.0       13.4
   22   0   0   9 21.283  42.565   0.203   12.56    2       62.2        5.7
   23   1   2  -4 21.649  43.298   0.206   12.09    6       82.8       29.3
   24   2   1   4 21.649  43.298   0.206   12.09    6      203.2      176.4
   25   3   0   0 22.099  44.198   0.21    11.55    6      253.9      263.1
   26   2   0  -7 22.187  44.373   0.211   11.44    6       77.2       24.1
   27   1   2   5 22.846  45.692   0.217   10.71    6       23.3        2.1
   28   2   1  -5 22.846  45.692   0.217   10.71    6       60.9       14.1
   29   3   0  -3 23.277  46.555   0.221   10.27    6      123.4       55.3
   30   3   0   3 23.277  46.555   0.221   10.27    6      158.1       90.7
   31   2   0   8 24.12   48.241   0.228    9.47    6       93.9       29.5
   32   1   0  10 24.983  49.965   0.236    8.74    6       62.9       12.2
   33   1   1  -9 25.024  50.047   0.236    8.71    6       96.1       28.4
   34   1   1   9 25.024  50.047   0.236    8.71    6      171.8       90.9
   35   2   2   0 25.747  51.495   0.243    8.16    6       69.5       13.9
   36   1   2  -7 25.826  51.651   0.244    8.11    6       16.1        0.7
   37   2   1   7 25.826  51.651   0.244    8.11    6      123.6       43.8
   38   3   0  -6 26.571  53.142   0.25     7.6     6      159.1       67.9
   39   3   0   6 26.571  53.142   0.25     7.6     6       44.6        5.3
   40   2   2  -3 26.804  53.608   0.252    7.45    6       68.6       12.4
   41   2   2   3 26.804  53.608   0.252    7.45    6        0.7        0.0
   42   1   3   1 26.997  53.993   0.254    7.33    6       22.8        1.3
   43   3   1  -1 26.997  53.993   0.254    7.33    6       30.9        2.5
   44   1   3  -2 27.341  54.681   0.257    7.12    6      116.0       33.9
   45   3   1   2 27.341  54.681   0.257    7.12    6      119.1       35.7
   46   1   0 -11 27.452  54.905   0.258    7.05    6        5.9        0.1
   47   1   2   8 27.567  55.135   0.259    6.99    6      153.9       58.5
   48   2   1  -8 27.567  55.135   0.259    6.99    6       97.2       23.3
   49   2   0 -10 28.354  56.709   0.265    6.56    6      233.3      126.1
   50   1   3   4 28.689  57.378   0.268    6.38    6      214.6      103.9
   51   3   1  -4 28.689  57.378   0.268    6.38    6      106.3       25.5
   52   0   0  12 28.944  57.889   0.271    6.26    2      178.3       23.4
   53   1   3  -5 29.674  59.349   0.277    5.92    6       15.4        0.5
   54   3   1   5 29.674  59.349   0.277    5.92    6       47.2        4.7
   55   2   2  -6 29.818  59.637   0.278    5.85    6      214.0       94.8
   56   2   2   6 29.818  59.637   0.278    5.85    6      252.3      131.7
   57   4   0   1 30.214  60.427   0.281    5.68    6       47.2        4.5
   58   4   0  -2 30.534  61.068   0.284    5.55    6      177.2       61.6
   59   2   0  11 30.638  61.277   0.285    5.51    6       21.5        0.9
   60   1   2 -10 31.482  62.965   0.292    5.19    6      274.4      138.0
   61   2   1  10 31.482  62.965   0.292    5.19    6      287.1      151.1
   62   3   0  -9 31.517  63.035   0.292    5.18    6       35.0        2.2
   63   3   0   9 31.517  63.035   0.292    5.18    6       70.2        9.0
   64   4   0   4 31.797  63.594   0.295    5.08    6       30.2        1.6
   65   1   1 -12 32.037  64.074   0.297    4.99    6       89.0       14.0
   66   1   1  12 32.037  64.074   0.297    4.99    6       29.0        1.5
   67   1   3   7 32.211  64.422   0.298    4.94    6       67.8        8.0
   68   3   1  -7 32.211  64.422   0.298    4.94    6      172.3       51.8
   69   1   0  13 32.621  65.242   0.301    4.8     6       17.0        0.5
   70   4   0  -5 32.726  65.452   0.302    4.77    6        1.8        0.0
   71   2   3  -1 33.237  66.473   0.306    4.61    6       28.0        1.3
   72   3   2   1 33.237  66.473   0.306    4.61    6      118.7       23.0
   73   2   3   2 33.541  67.082   0.309    4.53    6        8.4        0.1
   74   3   2  -2 33.541  67.082   0.309    4.53    6        7.7        0.1
   75   1   2  11 33.64   67.28    0.31     4.5     6       71.8        8.2
   76   2   1 -11 33.64   67.28    0.31     4.5     6       38.6        2.4
   77   1   3  -8 33.742  67.484   0.31     4.47    6      144.0       32.8
   78   3   1   8 33.742  67.484   0.31     4.47    6      179.9       51.1
   79   2   2  -9 34.478  68.955   0.316    4.27    6      128.0       24.7
   80   2   2   9 34.478  68.955   0.316    4.27    6       81.9       10.1
   81   2   3  -4 34.745  69.489   0.319    4.21    6      253.4       95.5
   82   3   2   4 34.745  69.489   0.319    4.21    6      221.3       72.8
   83   1   4   0 35.076  70.152   0.321    4.13    6      324.7      153.8
   84   4   1   0 35.076  70.152   0.321    4.13    6      159.8       37.3
   85   4   0   7 35.141  70.282   0.322    4.11    6        2.1        0.0
   86   1   0 -14 35.336  70.673   0.323    4.07    6      119.9       20.7
   87   2   0 -13 35.534  71.068   0.325    4.02    6       39.4        2.2
   88   2   3   5 35.635  71.27    0.326    4.0     6      118.4       19.8
   89   3   2  -5 35.635  71.27    0.326    4.0     6       90.8       11.7
   90   1   4  -3 35.963  71.926   0.328    3.93    6       95.8       12.7
   91   1   4   3 35.963  71.926   0.328    3.93    6       57.1        4.5
   92   4   1  -3 35.963  71.926   0.328    3.93    6        6.3        0.1
   93   4   1   3 35.963  71.926   0.328    3.93    6      117.3       19.1
   94   4   0  -8 36.613  73.226   0.333    3.79    6      152.4       31.1
   95   0   0  15 37.225  74.45    0.338    3.68    2       71.4        2.2
   96   1   3  10 37.292  74.583   0.339    3.67    6      225.7       66.0
   97   3   1 -10 37.292  74.583   0.339    3.67    6      305.2      120.7
   98   3   0 -12 37.805  75.611   0.343    3.58    6      129.9       21.3
   99   3   0  12 37.805  75.611   0.343    3.58    6      139.0       24.4
  100   2   3  -7 37.967  75.935   0.344    3.55    6       21.9        0.6
  101   3   2   7 37.967  75.935   0.344    3.55    6      128.1       20.6
  102   2   0  14 38.157  76.314   0.345    3.52    6      256.8       82.0
  103   1   2 -13 38.349  76.698   0.347    3.49    6       59.9        4.4
  104   2   1  13 38.349  76.698   0.347    3.49    6       99.5       12.2
  105   1   4  -6 38.574  77.149   0.349    3.45    6      106.5       13.8
  106   1   4   6 38.574  77.149   0.349    3.45    6      105.1       13.5
  107   4   1  -6 38.574  77.149   0.349    3.45    6      182.4       40.6
  108   4   1   6 38.574  77.149   0.349    3.45    6      218.6       58.3
  109   5   0  -1 38.925  77.85    0.351    3.4     6       68.3        5.6
  110   5   0   2 39.211  78.422   0.353    3.36    6       38.7        1.8
  111   1   3 -11 39.304  78.608   0.354    3.35    6       76.9        7.0
  112   3   1  11 39.304  78.608   0.354    3.35    6       56.2        3.7
  113   2   3   8 39.4    78.8     0.355    3.33    6       28.2        0.9
  114   3   2  -8 39.4    78.8     0.355    3.33    6       25.2        0.7
  115   1   1 -15 39.998  79.996   0.359    3.25    6      184.1       39.0
  116   1   1  15 39.998  79.996   0.359    3.25    6      118.5       16.2
  117   4   0  10 40.063  80.126   0.36     3.25    6      246.8       69.9
  118   5   0  -4 40.348  80.696   0.362    3.21    6      179.6       36.6
  119   2   2 -12 40.566  81.132   0.364    3.19    6       76.1        6.5
  120   2   2  12 40.566  81.132   0.364    3.19    6       32.5        1.2
  121   3   3   0 40.663  81.326   0.364    3.18    6      281.1       88.7
  122   1   2  14 40.911  81.822   0.366    3.15    6      116.0       15.0
  123   2   1 -14 40.911  81.822   0.366    3.15    6      223.7       55.7
  124   1   0  16 41.098  82.196   0.367    3.13    6      110.7       13.5
  125   5   0   5 41.196  82.392   0.368    3.12    6        5.6        0.0
  126   3   3  -3 41.509  83.019   0.37     3.09    6        8.0        0.1
  127   3   3   3 41.509  83.019   0.37     3.09    6      142.6       22.2
  128   2   4   1 41.666  83.332   0.372    3.07    6        6.1        0.0
  129   4   2  -1 41.666  83.332   0.372    3.07    6       57.6        3.6
  130   2   4  -2 41.947  83.895   0.374    3.04    6       11.5        0.1
  131   4   2   2 41.947  83.895   0.374    3.04    6       33.5        1.2
  132   4   0 -11 42.039  84.078   0.374    3.03    6       23.1        0.6
  133   2   3 -10 42.788  85.576   0.38     2.97    6       45.1        2.1
  134   3   2  10 42.788  85.576   0.38     2.97    6      107.1       12.0
  135   1   4  -9 42.82   85.639   0.38     2.97    6       78.5        6.5
  136   1   4   9 42.82   85.639   0.38     2.97    6       74.3        5.8
  137   4   1  -9 42.82   85.639   0.38     2.97    6       25.4        0.7
  138   4   1   9 42.82   85.639   0.38     2.97    6      117.0       14.4
  139   2   4   4 43.07   86.14    0.382    2.95    6      180.0       33.8
  140   4   2  -4 43.07   86.14    0.382    2.95    6      146.0       22.2
  141   5   0  -7 43.443  86.886   0.384    2.92    6       28.0        0.8
  142   2   0 -16 43.813  87.626   0.387    2.9     6       72.7        5.4
  143   1   3  13 43.814  87.629   0.387    2.9     6       27.5        0.8
  144   3   1 -13 43.814  87.629   0.387    2.9     6       69.7        5.0
  145   2   4  -5 43.91   87.82    0.388    2.89    6      132.6       18.0
  146   4   2   5 43.91   87.82    0.388    2.89    6       87.1        7.8
  147   3   3  -6 44.034  88.068   0.389    2.88    6       72.1        5.3
  148   3   3   6 44.034  88.068   0.389    2.88    6        8.7        0.1
  149   1   0 -17 44.185  88.371   0.39     2.87    6        8.6        0.1
  150   1   5  -1 44.377  88.753   0.391    2.86    6       76.1        5.9
  151   5   1   1 44.377  88.753   0.391    2.86    6      155.6       24.5
  152   1   5   2 44.656  89.312   0.393    2.85    6        4.9        0.0
  153   5   1  -2 44.656  89.312   0.393    2.85    6        4.7        0.0
  154   2   3  11 44.747  89.495   0.394    2.84    6        1.8        0.0
  155   3   2 -11 44.747  89.495   0.394    2.84    6      134.9       18.3
  156   5   0   8 44.842  89.683   0.394    2.84    6       15.6        0.2


  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   1   0   2   8.575  17.15   5.99896     1023.9     56.3     56.8     5.6
    2   1   0   4  11.79   23.58   4.37759      946.9     52.1     52.3     5.6
    3   1   1   0  12.545  25.09   4.1181       295.9     16.3     16.3     5.6
    4   0   0   6  14.003  28.007  3.69643       98.9      5.4      5.4     5.6
    5   1   1   3  14.396  28.793  3.5976      1819.0    100.0    100.0     5.6
    6   2   0   4  17.35   34.7    2.99948      751.0     41.3     41.1     5.7
    7   1   1   6  18.975  37.951  2.75081      875.1     48.1     47.7     5.7
    8   1   2   1  19.525  39.051  2.67623      201.2     11.1     11.0     5.7
    9   2   1   4  21.649  43.298  2.42453      205.8     11.3     11.2     5.7
   10   3   0   0  22.099  44.198  2.37759      263.1     14.5     14.3     5.7
   11   2   0   7  22.187  44.373  2.36865       24.1      1.3      1.3     5.7
   12   3   0   3  23.277  46.555  2.26341      146.0      8.0      7.9     5.7
   13   2   0   8  24.12   48.241  2.18879       29.5      1.6      1.6     5.7
   14   1   1   9  25.024  50.047  2.1146       119.3      6.6      6.4     5.7
   15   2   1   7  25.826  51.651  2.05323       43.8      2.4      2.4     5.8
   16   3   0   6  26.571  53.142  1.99965       73.3      4.0      3.9     5.8
   17   3   1   2  27.341  54.681  1.94752       69.5      3.8      3.7     5.8
   18   1   2   8  27.567  55.135  1.93275       81.8      4.5      4.4     5.8
   19   2   0  10  28.354  56.709  1.88338      126.1      6.9      6.7     5.8
   20   1   3   4  28.689  57.378  1.86323      129.4      7.1      6.9     5.8
   21   0   0  12  28.944  57.889  1.84822       23.4      1.3      1.2     5.8
   22   2   2   6  29.818  59.637  1.7988       226.5     12.5     12.0     5.8
   23   4   0   2  30.534  61.068  1.76057       61.6      3.4      3.3     5.8
   24   2   1  10  31.482  62.965  1.71276      289.1     15.9     15.3     5.9
   25   3   1   7  32.211  64.422  1.67804       59.8      3.3      3.2     5.9
   26   3   2   1  33.237  66.473  1.63193       24.3      1.3      1.3     5.9
   27   3   1   8  33.742  67.484  1.61032       83.9      4.6      4.4     5.9
   28   2   2   9  34.478  68.955  1.58008       34.9      1.9      1.8     5.9
   29   2   3   4  34.745  69.489  1.56945      168.3      9.3      8.8     5.9
   30   1   4   0  35.076  70.152  1.5565       191.0     10.5     10.0     5.9
   31   1   0  14  35.336  70.673  1.5465        20.7      1.1      1.1     5.9
   32   2   3   5  35.635  71.27   1.53523       31.5      1.7      1.6     5.9
   33   4   1   3  35.963  71.926  1.5231        36.4      2.0      1.9     5.9
   34   4   0   8  36.613  73.226  1.49974       31.1      1.7      1.6     6.0
   35   3   1  10  37.292  74.583  1.47632      186.8     10.3      9.7     6.0
   36   3   0  12  37.805  75.611  1.4592        45.7      2.5      2.4     6.0
   37   3   2   7  37.967  75.935  1.45391       20.6      1.1      1.1     6.0
   38   2   0  14  38.157  76.314  1.44778       82.0      4.5      4.2     6.0
   39   4   1   6  38.574  77.149  1.43451      126.3      6.9      6.5     6.0
   40   1   1  15  39.998  79.996  1.3916        55.2      3.0      2.8     6.0
   41   4   0  10  40.063  80.126  1.38971       69.9      3.8      3.6     6.0
   42   5   0   4  40.348  80.696  1.38156       36.6      2.0      1.9     6.1
   43   3   3   0  40.663  81.326  1.3727        88.7      4.9      4.5     6.1
   44   2   1  14  40.911  81.822  1.36583       70.7      3.9      3.6     6.1
   45   3   3   3  41.509  83.019  1.34963       22.2      1.2      1.1     6.1
   46   4   1   9  42.82   85.639  1.31598       27.3      1.5      1.4     6.1
   47   2   4   4  43.07   86.14   1.30981       56.0      3.1      2.8     6.1
   48   2   4   5  43.91   87.82   1.28973       25.7      1.4      1.3     6.2
   49   5   1   1  44.377  88.753  1.27895       30.3      1.7      1.5     6.2
   50   3   2  11  44.747  89.495  1.27057       18.3      1.0      0.9     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)