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

                            ***

          ***      W W W - X R A Y P O L       ***
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ZIRCONOLITE_3O

1, DF

(Ca,Na,TR,Th,U)(2.22)Zr(1.87)(Fe,Al,Ti,Nb)(4.06)O(14)


Orthorhombic  A cam  Z = 4

R =0.031          NR =826

4 .10 .1990

Ref.Str.:

         Mazzi F., Munno R. (1983)

         * Amer. Mineral., 68, 262-276

Reserv:

         In original - polymignite[1].

                   Initial data from BDM-file 

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

             a =  10.148    alpha =   90.0 
             b =  14.147    beta  =   90.0 
             c =   7.278    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1044.86

    Molar volume ( cub.cm/mol.) =   157.34

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

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

   1 0.75    0.1159  0.25     0.63   Ca    = 0.57, Ce    = 0.43
   2 0.0151  0.2332  0.5      0.55   Zr    = 1.00
   3 0.0     0.0     0.0      0.79   Ti    = 0.52, Nb    = 0.48
   4 0.25    0.1332  0.25     0.56   Ti    = 0.88, Ta    = 0.12
   5 0.0     0.0     0.4306   1.97   Fe    = 0.46, Fe    = 0.0 
   6 0.039   0.015   0.5      0.3    Fe    = 0.03, Fe    = 0.0 
   7 0.1259  0.0333  0.1903   0.96   O     = 1.00
   8 0.1197  0.2331  0.2104   0.92   O     = 1.00
   9 0.8993  0.1089  0.5      0.97   O     = 1.00
  10 0.9096  0.1295  0.0      0.84   O     = 1.00
  11 0.1799  0.1396  0.5      0.94   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.75       0.1159     0.25  
     2       2     0.0151     0.2332     0.5   
     3       3     0.0        0.0        0.0   
     4       4     0.25       0.1332     0.25  
     5       5     0.0        0.0        0.4306
     6       6     0.039      0.015      0.5   
     7       7     0.1259     0.0333     0.1903
     8       8     0.1197     0.2331     0.2104
     9       9     0.8993     0.1089     0.5   
    10      10     0.9096     0.1295     0.0   
    11      11     0.1799     0.1396     0.5   
    12       1     0.25       0.8841     0.75  
    13       2     0.9849     0.7668     0.5   
    14       4     0.75       0.8668     0.75  
    15       5     0.0        0.0        0.5694
    16       6     0.961      0.985      0.5   
    17       7     0.8741     0.9667     0.8097
    18       8     0.8803     0.7669     0.7896
    19       9     0.1007     0.8911     0.5   
    20      10     0.0904     0.8705     0.0   
    21      11     0.8201     0.8604     0.5   
    22       1     0.75       0.1159     0.75  
    23       4     0.25       0.1332     0.75  
    24       7     0.1259     0.0333     0.8097
    25       8     0.1197     0.2331     0.7896
    26       1     0.25       0.8841     0.25  
    27       4     0.75       0.8668     0.25  
    28       7     0.8741     0.9667     0.1903
    29       8     0.8803     0.7669     0.2104
    30       2     0.4849     0.2332     0.0   
    31       3     0.5        0.0        0.5   
    32       5     0.5        0.0        0.9306
    33       6     0.461      0.015      0.0   
    34       7     0.3741     0.0333     0.6903
    35       8     0.3803     0.2331     0.7104
    36       9     0.6007     0.1089     0.0   
    37      10     0.5904     0.1295     0.5   
    38      11     0.3201     0.1396     0.0   
    39       2     0.5151     0.7668     0.0   
    40       5     0.5        0.0        0.0694
    41       6     0.539      0.985      0.0   
    42       7     0.6259     0.9667     0.3097
    43       8     0.6197     0.7669     0.2896
    44       9     0.3993     0.8911     0.0   
    45      10     0.4096     0.8705     0.5   
    46      11     0.6799     0.8604     0.0   
    47       7     0.3741     0.0333     0.3097
    48       8     0.3803     0.2331     0.2896
    49       7     0.6259     0.9667     0.6903
    50       8     0.6197     0.7669     0.7104
    51       1     0.75       0.6159     0.25  
    52       2     0.4849     0.7332     0.5   
    53       3     0.5        0.5        0.0   
    54       4     0.25       0.6332     0.25  
    55       5     0.5        0.5        0.4306
    56       6     0.461      0.515      0.5   
    57       7     0.3741     0.5333     0.1903
    58       8     0.3803     0.7331     0.2104
    59       9     0.6007     0.6089     0.5   
    60      10     0.5904     0.6295     0.0   
    61      11     0.3201     0.6396     0.5   
    62       1     0.25       0.3841     0.75  
    63       2     0.5151     0.2668     0.5   
    64       4     0.75       0.3668     0.75  
    65       5     0.5        0.5        0.5694
    66       6     0.539      0.485      0.5   
    67       7     0.6259     0.4667     0.8097
    68       8     0.6197     0.2669     0.7896
    69       9     0.3993     0.3911     0.5   
    70      10     0.4096     0.3705     0.0   
    71      11     0.6799     0.3604     0.5   
    72       1     0.75       0.6159     0.75  
    73       4     0.25       0.6332     0.75  
    74       7     0.3741     0.5333     0.8097
    75       8     0.3803     0.7331     0.7896
    76       1     0.25       0.3841     0.25  
    77       4     0.75       0.3668     0.25  
    78       7     0.6259     0.4667     0.1903
    79       8     0.6197     0.2669     0.2104
    80       2     0.0151     0.7332     0.0   
    81       3     0.0        0.5        0.5   
    82       5     0.0        0.5        0.9306
    83       6     0.039      0.515      0.0   
    84       7     0.1259     0.5333     0.6903
    85       8     0.1197     0.7331     0.7104
    86       9     0.8993     0.6089     0.0   
    87      10     0.9096     0.6295     0.5   
    88      11     0.1799     0.6396     0.0   
    89       2     0.9849     0.2668     0.0   
    90       5     0.0        0.5        0.0694
    91       6     0.961      0.485      0.0   
    92       7     0.8741     0.4667     0.3097
    93       8     0.8803     0.2669     0.2896
    94       9     0.1007     0.3911     0.0   
    95      10     0.0904     0.3705     0.5   
    96      11     0.8201     0.3604     0.0   
    97       7     0.1259     0.5333     0.3097
    98       8     0.1197     0.7331     0.2896
    99       7     0.8741     0.4667     0.6903
   100       8     0.8803     0.2669     0.7104


X-ray density (g/cm cub.)   =      5.24

MU (1/cm) =    1081.09     Mass attenuation coefficient (cm**2/g) =    206.313

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

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

    1   Ca   ,Ce             2.88         8
                                                 2.3698       9
                                                 2.4435      10
                                                 2.4965       7
                                                 2.3698       9
                                                 2.4435      10
                                                 2.4965       7
                                                 2.5283       8
                                                 2.5283       8
    2    Zr                  2.616        7
                                                 2.3599       8
                                                 2.115        9
                                                 2.1331      11
                                                 2.3599       8
                                                 2.1079       8
                                                 2.0873      10
                                                 2.1079       8
    3   Ti   ,Nb             2.568        6
                                                 1.9423       7
                                                 2.0489      10
                                                 1.9423       7
                                                 2.0489      10
                                                 1.9423       7
                                                 1.9423       7
    4   Ti   ,Ta             2.568        6
                                                 1.9422       7
                                                 1.9568       8
                                                 1.9557      11
                                                 1.9557      11
                                                 1.9422       7
                                                 1.9568       8
    5   Fe   ,Fe             2.592        4
                                                 2.2165       7
                                                 1.9165       9
                                                 1.9165       9
                                                 2.2165       7
    6   Fe   ,Fe             2.592        5
                                                 2.4342       7
                                                 1.9428       9
                                                 2.2697      11
                                                 1.8613       9
                                                 2.4342       7
    7    O                   3.264        9
                                                 2.8311       8
                                                 2.9306      10
                                                 2.7645      11
                                                 3.032        9
                                                 2.7115      10
                                                 2.77         7
                                                 2.7234       7
                                                 2.8396      11
                                                 2.6644       7
    8    O                   3.264        9
                                                 2.8311       7
                                                 3.0065      10
                                                 2.5623      11
                                                 3.0626       8
                                                 2.8688      11
                                                 2.7067       8
                                                 2.5423       8
                                                 2.7163       9
                                                 2.8826      10
    9    O                   3.264        6
                                                 2.8805      11
                                                 3.032        7
                                                 3.032        7
                                                 3.1482      10
                                                 2.7163       8
                                                 2.7163       8
   10    O                   3.264        9
                                                 2.9306       7
                                                 3.0065       8
                                                 2.7115       7
                                                 2.9306       7
                                                 3.0065       8
                                                 2.7115       7
                                                 3.1482       9
                                                 2.8826       8
                                                 2.8826       8
   11    O                   3.264        9
                                                 2.7645       7
                                                 2.5623       8
                                                 2.8805       9
                                                 2.7645       7
                                                 2.5623       8
                                                 2.8396       7
                                                 2.8688       8
                                                 2.8396       7
                                                 2.8688       8

  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  7.265  14.529   0.071  122.12    2       83.4      155.4
    2   1   2   0  8.867  17.734   0.086   81.24    4       13.2        5.2
    3   1   1   1  9.435  18.869   0.092   71.51    8       11.5        7.0
    4   2   0   0 10.153  20.307   0.099   61.45    2       37.1       15.5
    5   2   2   0 12.53   25.06    0.121   39.63    4       82.1       97.8
    6   2   1   1 12.944  25.889   0.125   37.0     8       52.8       75.7
    7   1   3   1 14.04   28.079   0.136   31.15    8      133.8      408.4
    8   0   0   2 14.229  28.458   0.137   30.27    2       11.0        0.7
    9   0   4   0 14.649  29.299   0.141   28.45    2       30.9        5.0
   10   1   4   0 15.535  31.07    0.15    25.09    4      101.7       95.1
   11   0   2   2 16.047  32.093   0.155   23.39    4       94.1       76.0
   12   2   3   1 16.656  33.313   0.16    21.58    8       38.7       23.7
   13   1   2   2 16.866  33.732   0.162   21.0     8       12.3        2.3
   14   3   2   0 17.044  34.088   0.164   20.53    4        5.1        0.2
   15   3   1   1 17.359  34.719   0.167   19.72    8       12.8        2.3
   16   2   0   2 17.606  35.213   0.169   19.12    4      812.0     4618.9
   17   2   4   0 17.956  35.911   0.172   18.32    4      802.2     4318.4
   18   2   2   2 19.138  38.276   0.183   15.92    8       76.1       67.5
   19   3   3   1 20.356  40.712   0.194   13.88    8       47.5       22.9
   20   1   5   1 20.515  41.029   0.196   13.64    8       60.2       36.2
   21   4   0   0 20.644  41.289   0.197   13.45    2      535.9      707.7
   22   0   4   2 20.651  41.302   0.197   13.44    4      508.7     1274.3
   23   1   4   2 21.316  42.633   0.203   12.52    8       41.1       15.5
   24   3   4   0 21.463  42.926   0.205   12.33    4       65.6       19.4
   25   4   2   0 21.997  43.994   0.209   11.67    4       51.1       11.2
   26   4   1   1 22.252  44.505   0.212   11.37    8       63.2       33.2
   27   0   6   0 22.294  44.588   0.212   11.32    2       90.3       16.9
   28   2   5   1 22.473  44.947   0.214   11.12    8       53.1       23.0
   29   3   2   2 22.49   44.981   0.214   11.1     8      150.7      184.6
   30   1   1   3 22.602  45.203   0.215   10.97    8       25.0        5.0
   31   1   6   0 22.921  45.842   0.218   10.63    4      155.0       93.6
   32   2   4   2 23.221  46.442   0.22    10.32    8       24.8        4.7
   33   2   1   3 24.427  48.854   0.231    9.2     8      136.2      125.1
   34   2   6   0 24.728  49.456   0.234    8.95    4       31.8        3.3
   35   4   3   1 24.758  49.516   0.234    8.93    8       96.7       61.2
   36   1   3   3 25.081  50.161   0.237    8.67    8      113.8       82.2
   37   4   0   2 25.454  50.908   0.24     8.38    4       39.9        4.9
   38   3   5   1 25.472  50.944   0.24     8.37    8      120.2       88.6
   39   4   4   0 25.715  51.43    0.243    8.19    4       65.3       12.8
   40   3   4   2 26.154  52.309   0.246    7.88    8      115.2       76.6
   41   4   2   2 26.616  53.232   0.25     7.57    8      103.7       59.6
   42   2   3   3 26.779  53.557   0.252    7.47    8       43.6       10.4
   43   0   6   2 26.874  53.748   0.253    7.41    4        2.7        0.0
   44   3   1   3 27.265  54.529   0.256    7.17    8      117.4       72.4
   45   5   2   0 27.29   54.579   0.256    7.15    4       81.5       17.4
   46   1   6   2 27.422  54.844   0.257    7.07    8       78.3       31.7
   47   5   1   1 27.508  55.016   0.258    7.02    8       26.1        3.5
   48   3   6   0 27.543  55.087   0.258    7.0     4      146.6       55.1
   49   1   7   1 27.886  55.772   0.261    6.81    8      175.2      153.2
   50   2   6   2 29.025  58.049   0.271    6.22    8       82.7       31.2
   51   4   5   1 29.29   58.58    0.273    6.09    8       85.0       32.3
   52   0   0   4 29.446  58.891   0.275    6.02    2      765.0      645.5
   53   3   3   3 29.457  58.914   0.275    6.01    8      122.9       66.5
   54   2   7   1 29.472  58.944   0.275    6.01    8       30.0        4.0
   55   1   5   3 29.578  59.156   0.276    5.96    8       70.9       22.0
   56   5   3   1 29.688  59.377   0.277    5.91    8      109.9       52.3
   57   4   4   2 29.913  59.825   0.279    5.81    8      757.7     2444.9
   58   0   8   0 30.385  60.77    0.283    5.61    2      689.3      488.5
   59   0   2   4 30.504  61.008   0.284    5.56    4      160.3       52.4
   60   5   4   0 30.539  61.077   0.284    5.55    4      120.7       29.6
   61   1   8   0 30.893  61.785   0.287    5.41    4      165.0       53.9
   62   4   1   3 30.933  61.867   0.287    5.39    8       65.9       17.2
   63   1   2   4 31.011  62.021   0.288    5.36    8       37.9        5.7
   64   2   5   3 31.109  62.219   0.289    5.33    8       83.1       27.0
   65   4   6   0 31.191  62.382   0.29     5.29    4        4.8        0.0
   66   5   2   2 31.347  62.694   0.291    5.24    8       55.3       11.7
   67   2   0   4 31.483  62.966   0.292    5.19    4       42.7        3.5
   68   3   6   2 31.58   63.16    0.293    5.15    8       79.7       24.0
   69   6   0   0 31.928  63.855   0.296    5.03    2       54.7        2.8
   70   3   7   1 32.006  64.011   0.296    5.0     8      191.8      134.9
   71   2   8   0 32.388  64.776   0.299    4.88    4       17.6        0.6
   72   2   2   4 32.503  65.005   0.3      4.84    8      132.2       62.0
   73   6   2   0 32.94   65.88    0.304    4.7     4       43.1        3.2
   74   4   3   3 32.974  65.948   0.304    4.69    8       91.5       28.8
   75   6   1   1 33.135  66.27    0.306    4.64    8      145.0       71.5
   76   0   4   4 33.562  67.124   0.309    4.52    4      103.2       17.6
   77   3   5   3 33.572  67.145   0.309    4.52    8       24.0        1.9
   78   5   5   1 33.788  67.575   0.311    4.46    8       80.3       21.1
   79   1   4   4 34.043  68.087   0.313    4.39    8       95.6       29.4
   80   0   8   2 34.22   68.44    0.314    4.34    4        0.3        0.0
   81   5   4   2 34.364  68.728   0.316    4.3     8       48.3        7.3
   82   1   8   2 34.697  69.394   0.318    4.22    8      121.6       45.7
   83   3   8   0 34.803  69.606   0.319    4.19    4      155.8       37.3
   84   3   2   4 34.914  69.828   0.32     4.17    8        3.0        0.0
   85   4   6   2 34.978  69.956   0.32     4.15    8       45.9        6.4
   86   6   3   1 35.108  70.216   0.321    4.12    8       85.0       21.8
   87   5   1   3 35.315  70.629   0.323    4.07    8       64.7       12.5
   88   4   7   1 35.383  70.766   0.324    4.06    8       42.8        5.4
   89   2   4   4 35.469  70.938   0.324    4.04    8      538.6      858.0
   90   5   6   0 35.556  71.111   0.325    4.02    4       55.5        4.5
   91   1   7   3 35.644  71.287   0.326    4.0     8      209.1      128.0
   92   6   0   2 35.674  71.349   0.326    3.99    4      555.1      450.4
   93   6   4   0 35.889  71.777   0.328    3.94    4      579.5      485.1
   94   1   9   1 36.071  72.142   0.329    3.9     8      138.8       55.1
   95   2   8   2 36.111  72.222   0.329    3.9     8      505.4      729.3
   96   6   2   2 36.636  73.272   0.334    3.79    8       71.1       14.0
   97   4   5   3 36.881  73.761   0.335    3.74    8       78.8       17.0
   98   2   7   3 37.042  74.085   0.337    3.71    8        3.3        0.0
   99   4   0   4 37.226  74.451   0.338    3.68    4      463.1      289.0
  100   5   3   3 37.236  74.471   0.338    3.68    8      152.2       62.4
  101   2   9   1 37.464  74.928   0.34     3.64    8       40.4        4.3
  102   3   4   4 37.794  75.587   0.343    3.58    8       30.9        2.5
  103   4   8   0 38.065  76.131   0.345    3.53    4      434.5      244.4
  104   4   2   4 38.172  76.345   0.345    3.52    8       83.6       18.0
  105   0   6   4 38.386  76.771   0.347    3.48    4      124.1       19.7
  106   3   8   2 38.421  76.842   0.347    3.48    8       92.1       21.6
  107   1   1   5 38.609  77.217   0.349    3.45    8       98.7       24.6
  108   1   6   4 38.842  77.684   0.351    3.41    8       64.9       10.5
  109   6   5   1 38.923  77.845   0.351    3.4     8      105.2       27.6
  110   7   2   0 39.037  78.073   0.352    3.38    4      105.6       13.8
  111   5   6   2 39.147  78.294   0.353    3.37    8       77.3       14.7
  112   0  10   0 39.217  78.434   0.353    3.36    2        7.7        0.0
  113   7   1   1 39.219  78.437   0.353    3.36    8       20.7        1.1
  114   3   7   3 39.333  78.666   0.354    3.34    8      185.2       84.0
  115   6   4   2 39.469  78.937   0.355    3.32    8       11.6        0.3
  116   5   7   1 39.536  79.071   0.356    3.31    8      106.7       27.6
  117   1  10   0 39.671  79.342   0.357    3.3     4       39.8        1.9
  118   3   9   1 39.747  79.493   0.357    3.29    8      116.8       32.9
  119   2   1   5 39.971  79.942   0.359    3.26    8        3.9        0.0
  120   2   6   4 40.202  80.405   0.361    3.23    8       80.9       15.5
  121   6   1   3 40.374  80.749   0.362    3.21    8       72.2       12.2
  122   1   3   5 40.475  80.95    0.363    3.2     8      161.7       61.2
  123   6   6   0 40.605  81.21    0.364    3.18    4       24.9        0.7
  124   4   4   4 40.972  81.944   0.367    3.14    8       45.9        4.8
  125   5   5   3 40.982  81.964   0.367    3.14    8        3.8        0.0
  126   2  10   0 41.024  82.048   0.367    3.14    4        8.3        0.1
  127   7   3   1 41.078  82.156   0.367    3.13    8       88.8       18.1
  128   4   8   2 41.586  83.173   0.371    3.08    8       53.8        6.5
  129   7   4   0 41.821  83.643   0.373    3.05    4        6.7        0.1
  130   2   3   5 41.823  83.645   0.373    3.05    8       13.5        0.4
  131   5   8   0 42.134  84.268   0.375    3.03    4       32.8        1.2
  132   3   1   5 42.218  84.436   0.376    3.02    8       51.0        5.8
  133   6   3   3 42.222  84.445   0.376    3.02    8       73.2       11.8
  134   5   2   4 42.239  84.477   0.376    3.02    8       41.7        3.8
  135   3   6   4 42.447  84.894   0.377    3.0     8       55.8        6.8
  136   4   7   3 42.483  84.965   0.378    3.0     8       45.2        4.5
  137   7   2   2 42.538  85.076   0.378    2.99    8       63.7        8.9
  138   0  10   2 42.716  85.431   0.379    2.98    4        8.0        0.1
  139   4   9   1 42.89   85.78    0.38     2.96    8       34.7        2.6
  140   1   9   3 43.137  86.274   0.382    2.94    8      110.6       26.4
  141   1  10   2 43.162  86.324   0.382    2.94    8        6.9        0.1
  142   3  10   0 43.261  86.523   0.383    2.93    4       93.1        9.3
  143   3   3   5 44.055  88.109   0.389    2.88    8       99.9       21.1
  144   6   6   2 44.084  88.167   0.389    2.88    8       38.1        3.1
  145   1   5   5 44.158  88.317   0.389    2.87    8       31.3        2.1
  146   6   7   1 44.465  88.93    0.392    2.86    8       71.3       10.6
  147   2   9   3 44.474  88.947   0.392    2.86    8      109.5       25.1
  148   2  10   2 44.498  88.997   0.392    2.85    8       42.5        3.8
  149   7   5   1 44.755  89.51    0.394    2.84    8       30.8        2.0
  150   8   0   0 44.84   89.68    0.394    2.84    2      556.4      160.8
  151   0   8   4 44.857  89.715   0.394    2.84    4      478.5      237.9
  152   5   4   4 44.991  89.983   0.395    2.83    8       79.4       13.1


  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   7.265  14.529  7.0735       155.4      3.4      3.4     5.6
    2   2   2   0  12.53   25.06   4.12295       97.8      2.1      2.1     5.6
    3   2   1   1  12.944  25.889  3.99307       75.7      1.6      1.7     5.6
    4   1   3   1  14.04   28.079  3.68709      408.4      8.8      8.9     5.6
    5   1   4   0  15.535  31.07   3.33973       95.1      2.1      2.1     5.6
    6   0   2   2  16.047  32.093  3.2359        76.0      1.6      1.6     5.6
    7   2   0   2  17.606  35.213  2.95711     4618.9    100.0    100.0     5.7
    8   2   4   0  17.956  35.911  2.90146     4318.4     93.5     93.4     5.7
    9   2   2   2  19.138  38.276  2.7283        67.5      1.5      1.5     5.7
   10   0   4   2  20.651  41.302  2.53624     1982.0     42.9     42.7     5.7
   11   3   2   2  22.49   44.981  2.33829      207.6      4.5      4.4     5.7
   12   1   6   0  22.921  45.842  2.29666       93.6      2.0      2.0     5.7
   13   2   1   3  24.427  48.854  2.16296      125.1      2.7      2.7     5.7
   14   4   3   1  24.758  49.516  2.13582       61.2      1.3      1.3     5.7
   15   1   3   3  25.081  50.161  2.11011       82.2      1.8      1.8     5.7
   16   3   5   1  25.472  50.944  2.07978       93.5      2.0      2.0     5.8
   17   3   4   2  26.154  52.309  2.02921       76.6      1.7      1.6     5.8
   18   4   2   2  26.616  53.232  1.99653       59.6      1.3      1.3     5.8
   19   3   1   3  27.265  54.529  1.95254       89.8      1.9      1.9     5.8
   20   3   6   0  27.543  55.087  1.9343        55.1      1.2      1.2     5.8
   21   1   7   1  27.886  55.772  1.91242      153.2      3.3      3.2     5.8
   22   0   0   4  29.446  58.891  1.8195       716.0     15.5     15.1     5.8
   23   5   3   1  29.688  59.377  1.80596       52.3      1.1      1.1     5.8
   24   4   4   2  29.913  59.825  1.79366     2444.9     52.9     51.4     5.8
   25   0   8   0  30.385  60.77   1.76838      488.5     10.6     10.3     5.8
   26   0   2   4  30.504  61.008  1.76214       52.4      1.1      1.1     5.8
   27   1   8   0  30.893  61.785  1.74212       53.9      1.2      1.1     5.8
   28   3   7   1  32.006  64.011  1.68765      134.9      2.9      2.8     5.9
   29   2   2   4  32.503  65.005  1.66461       62.0      1.3      1.3     5.9
   30   6   1   1  33.135  66.27   1.63638       71.5      1.5      1.5     5.9
   31   2   4   4  35.469  70.938  1.54148      858.0     18.6     17.7     5.9
   32   1   7   3  35.644  71.287  1.53492      128.0      2.8      2.6     5.9
   33   6   0   2  35.674  71.349  1.53377      450.4      9.8      9.3     5.9
   34   6   4   0  35.889  71.777  1.52584      485.1     10.5     10.0     5.9
   35   1   9   1  36.071  72.142  1.51915       55.1      1.2      1.1     5.9
   36   2   8   2  36.111  72.222  1.5177       729.3     15.8     15.0     5.9
   37   4   0   4  37.226  74.451  1.47856      351.4      7.6      7.2     6.0
   38   4   8   0  38.065  76.131  1.45073      244.4      5.3      5.0     6.0
   39   3   7   3  39.333  78.666  1.4112        84.0      1.8      1.7     6.0
   40   1   3   5  40.475  80.95   1.37797       61.2      1.3      1.2     6.1
   41   0   8   4  44.857  89.715  1.26812      398.7      8.6      7.9     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)