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       ***
                  ***********************
DIOPSIDE

3, t-diopside, f-pyroxenes, sf-Ca-Na-pyroxenes, s-diopside

CaMgSi(2)O(6)


Monoclinic  C 2/c  Z = 4

C2/c

24 .4 .1990

Ref.Str.:

         M.T.Dove (1989)

         * Amer. Mineral., 74, 774-779

                   Initial data from BDM-file 

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

             a =   9.5848   alpha =   90.0 
             b =   8.6365   beta  =  103.98
             c =   5.1355   gamma =   90.0 

    Unit cell volume (cub. angs.) =   412.52

    Molar volume ( cub.cm/mol.) =    62.12

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

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

   1 0.284   0.0983  0.2317   0.0    Si    = 1.00
   2 0.1135  0.0962  0.1426   0.0    O     = 1.00
   3 0.3594  0.2558  0.3297   0.0    O     = 1.00
   4 0.3571  0.0175  0.9982   0.0    O     = 1.00
   5 0.0     0.9065  0.25     0.0    Mg    = 1.00
   6 0.0     0.3069  0.25     0.0    Ca    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.284      0.0983     0.2317
     2       2     0.1135     0.0962     0.1426
     3       3     0.3594     0.2558     0.3297
     4       4     0.3571     0.0175     0.9982
     5       5     0.0        0.9065     0.25  
     6       6     0.0        0.3069     0.25  
     7       1     0.716      0.9017     0.7683
     8       2     0.8865     0.9038     0.8574
     9       3     0.6406     0.7442     0.6703
    10       4     0.6429     0.9825     0.0018
    11       5     0.0        0.0935     0.75  
    12       6     0.0        0.6931     0.75  
    13       1     0.284      0.9017     0.7317
    14       2     0.1135     0.9038     0.6426
    15       3     0.3594     0.7442     0.8297
    16       4     0.3571     0.9825     0.4982
    17       1     0.716      0.0983     0.2683
    18       2     0.8865     0.0962     0.3574
    19       3     0.6406     0.2558     0.1703
    20       4     0.6429     0.0175     0.5018
    21       1     0.784      0.4017     0.7317
    22       2     0.6135     0.4038     0.6426
    23       3     0.8594     0.2442     0.8297
    24       4     0.8571     0.4825     0.4982
    25       5     0.5        0.5935     0.75  
    26       6     0.5        0.1931     0.75  
    27       1     0.216      0.5983     0.2683
    28       2     0.3865     0.5962     0.3574
    29       3     0.1406     0.7558     0.1703
    30       4     0.1429     0.5175     0.5018
    31       5     0.5        0.4065     0.25  
    32       6     0.5        0.8069     0.25  
    33       1     0.784      0.5983     0.2317
    34       2     0.6135     0.5962     0.1426
    35       3     0.8594     0.7558     0.3297
    36       4     0.8571     0.5175     0.9982
    37       1     0.216      0.4017     0.7683
    38       2     0.3865     0.4038     0.8574
    39       3     0.1406     0.2442     0.6703
    40       4     0.1429     0.4825     0.0018


X-ray density (g/cm cub.)   =      3.49

MU (1/cm) =     192.174    Mass attenuation coefficient (cm**2/g) =     55.133

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

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

    1    Si                  2.1          4
                                                 1.5871       2
                                                 1.5653       3
                                                 1.6798       4
                                                 1.7032       4
    2    O                   3.264       11
                                                 2.6989       3
                                                 2.7019       4
                                                 2.8461       2
                                                 3.0585       2
                                                 3.0585       2
                                                 2.7732       4
                                                 2.6665       2
                                                 2.8734       3
                                                 2.9517       3
                                                 2.9505       3
                                                 2.8087       3
    3    O                   3.264       10
                                                 2.6989       2
                                                 2.6676       4
                                                 2.5159       4
                                                 3.0001       3
                                                 2.8734       2
                                                 2.9517       2
                                                 2.9505       2
                                                 2.8087       2
                                                 3.0397       3
                                                 3.0474       4
    4    O                   3.264        8
                                                 2.7019       2
                                                 2.6676       3
                                                 2.7516       4
                                                 2.7732       2
                                                 2.5159       3
                                                 2.5855       4
                                                 2.5855       4
                                                 3.0474       3
    5    Mg                  2.52         6
                                                 2.1123       2
                                                 2.0468       2
                                                 2.0468       2
                                                 2.1123       2
                                                 1.986        3
                                                 1.986        3
    6    Ca                  2.88         8
                                                 2.2559       2
                                                 2.2559       2
                                                 2.3158       3
                                                 2.5776       4
                                                 2.4496       4
                                                 2.4496       4
                                                 2.3158       3
                                                 2.5776       4

  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  6.991  13.982   0.079  132.05    4        5.2        8.5
    2   2   0   0  9.534  19.068   0.108   69.98    2        7.4        4.5
    3   0   2   0 10.275  20.551   0.116   59.94    2       14.3       14.4
    4   1   1  -1 10.389  20.778   0.117   58.59    4       14.1       27.6
    5   1   1   1 12.232  24.464   0.138   41.68    4       20.0       39.1
    6   0   2   1 13.652  27.305   0.153   33.06    4       39.0      118.5
    7   2   2   0 14.089  28.177   0.158   30.92    4       57.8      242.7
    8   3   1   0 15.306  30.612   0.171   25.9     4       71.1      307.7
    9   2   2  -1 15.429  30.857   0.173   25.46    4      153.2     1403.9
   10   3   1  -1 15.896  31.793   0.178   23.87    4       89.9      453.2
   11   1   3   0 16.266  32.531   0.182   22.72    4       11.0        6.5
   12   2   2   1 18.002  36.005   0.201   18.21    4      122.3      640.2
   13   0   0   2 18.007  36.015   0.201   18.2     2      160.6      551.9
   14   1   3  -1 18.065  36.13    0.201   18.07    4       82.5      289.3
   15   1   1  -2 18.244  36.488   0.203   17.69    4        7.9        2.6
   16   2   0  -2 18.268  36.537   0.203   17.64    2       43.4       39.1
   17   1   3   1 19.234  38.469   0.214   15.74    4       24.5       22.3
   18   4   0   0 19.346  38.692   0.215   15.54    2       22.0        8.9
   19   3   1   1 19.564  39.128   0.217   15.16    4       84.5      254.7
   20   1   1   2 20.509  41.018   0.227   13.65    4       64.2      132.1
   21   0   4   0 20.901  41.802   0.232   13.08    2       27.8       11.9
   22   0   2   2 20.911  41.821   0.232   13.07    4       63.7      124.7
   23   3   1  -2 20.975  41.951   0.232   12.98    4       13.8        5.8
   24   2   2  -2 21.141  42.282   0.234   12.75    4       15.6        7.3
   25   3   3   0 21.416  42.831   0.237   12.39    4       73.0      155.0
   26   3   3  -1 21.862  43.723   0.242   11.83    4       92.1      236.1
   27   4   2  -1 22.031  44.063   0.243   11.63    4       63.1      108.8
   28   4   2   0 22.101  44.202   0.244   11.54    4       23.7       15.3
   29   2   0   2 22.605  45.21    0.25    10.97    2       91.3      107.6
   30   0   4   1 22.88   45.76    0.252   10.68    4       98.8      244.9
   31   2   4   0 23.162  46.324   0.255   10.38    4       16.8        6.9
   32   4   0  -2 23.25   46.501   0.256   10.29    2      128.6      200.2
   33   1   3  -2 23.707  47.413   0.261    9.85    4       76.6      135.8
   34   2   4  -1 24.061  48.123   0.265    9.52    4       10.1        2.3
   35   5   1  -1 24.532  49.064   0.27     9.11    4       20.6        9.1
   36   3   3   1 24.787  49.574   0.272    8.9     4       32.7       22.4
   37   5   1   0 25.061  50.122   0.275    8.68    4       61.0       75.9
   38   2   2   2 25.071  50.143   0.275    8.67    4       53.4       58.1
   39   1   3   2 25.577  51.154   0.28     8.29    4       47.5       43.9
   40   4   2  -2 25.67   51.339   0.281    8.22    4       16.3        5.1
   41   4   2   1 25.856  51.712   0.283    8.09    4       26.0       12.8
   42   2   4   1 25.913  51.826   0.284    8.05    4       10.0        1.9
   43   3   3  -2 25.972  51.943   0.284    8.0     4        4.9        0.5
   44   3   1   2 26.734  53.468   0.292    7.49    4       19.7        6.9
   45   1   5   0 26.973  53.946   0.294    7.34    4      102.8      182.5
   46   1   1  -3 27.365  54.73    0.298    7.11    4       17.2        5.0
   47   5   1  -2 27.495  54.99    0.3      7.03    4       46.6       35.9
   48   0   4   2 28.168  56.336   0.306    6.65    4       83.3      108.5
   49   1   5  -1 28.209  56.418   0.307    6.63    4       35.9       20.1
   50   2   4  -2 28.353  56.707   0.308    6.56    4       25.9       10.3
   51   3   1  -3 28.593  57.186   0.311    6.43    4       69.3       72.5
   52   5   1   1 28.946  57.892   0.314    6.26    4        2.1        0.1
   53   1   5   1 29.051  58.103   0.315    6.21    4       28.5       11.9
   54   5   3  -1 29.067  58.133   0.315    6.2     4      108.4      171.3
   55   4   4  -1 29.076  58.152   0.315    6.19    4       20.8        6.3
   56   4   4   0 29.133  58.266   0.316    6.17    4       80.3       93.5
   57   2   2  -3 29.144  58.287   0.316    6.16    4      135.7      266.5
   58   5   3   0 29.539  59.078   0.32     5.98    4       65.7       60.7
   59   0   2   3 29.791  59.582   0.323    5.86    4       11.4        1.8
   60   6   0   0 29.796  59.591   0.323    5.86    2       80.3       44.5
   61   1   1   3 29.894  59.787   0.324    5.82    4        8.8        1.1
   62   4   0   2 30.316  60.632   0.328    5.64    2      132.3      116.1
   63   3   5   0 30.696  61.392   0.331    5.49    4       77.4       77.3
   64   6   2  -1 31.016  62.033   0.334    5.36    4       67.2       57.0
   65   3   5  -1 31.043  62.087   0.335    5.35    4        5.8        0.4
   66   3   3   2 31.048  62.095   0.335    5.35    4        3.3        0.1
   67   6   0  -2 31.194  62.388   0.336    5.29    2      105.0       68.6
   68   1   3  -3 31.623  63.246   0.34     5.14    4      122.1      180.1
   69   2   4   2 31.629  63.258   0.34     5.14    4       41.3       20.6
   70   5   3  -2 31.742  63.484   0.341    5.1     4       40.9       20.1
   71   6   2   0 31.867  63.735   0.343    5.05    4       31.4       11.7
   72   4   2  -3 32.099  64.197   0.345    4.97    4       26.9        8.5
   73   4   4  -2 32.146  64.291   0.345    4.96    4        7.9        0.7
   74   4   4   1 32.307  64.615   0.347    4.9     4       43.6       21.9
   75   0   6   0 32.353  64.706   0.347    4.89    2       86.7       43.1
   76   4   2   2 32.368  64.736   0.348    4.88    4       43.4       21.6
   77   1   5  -2 32.515  65.029   0.349    4.84    4       15.9        2.9
   78   3   3  -3 32.752  65.504   0.351    4.76    4       22.4        5.6
   79   5   3   1 33.078  66.156   0.354    4.66    4      152.7      255.5
   80   6   2  -2 33.216  66.432   0.356    4.62    4       59.8       38.9
   81   5   1  -3 33.315  66.631   0.357    4.59    4       27.5        8.2
   82   3   5   1 33.401  66.802   0.357    4.57    4        8.1        0.7
   83   0   6   1 33.849  67.698   0.362    4.44    4       74.6       58.0
   84   2   2   3 33.919  67.838   0.362    4.42    4       87.5       79.5
   85   1   3   3 33.959  67.918   0.363    4.41    4       17.7        3.2
   86   1   5   2 34.06   68.119   0.364    4.38    4       72.4       54.0
   87   2   6   0 34.068  68.137   0.364    4.38    4       43.0       19.1
   88   3   5  -2 34.392  68.783   0.367    4.3     4      115.4      134.5
   89   7   1  -1 34.734  69.468   0.37     4.21    4       48.5       23.3
   90   2   6  -1 34.776  69.552   0.37     4.2     4       28.9        8.3
   91   2   4  -3 35.221  70.443   0.374    4.09    4       36.3       12.7
   92   5   1   2 35.477  70.955   0.377    4.03    4       48.8       22.6
   93   6   2   1 35.653  71.305   0.378    3.99    4       92.2       79.9
   94   3   1   3 35.691  71.382   0.379    3.99    4       37.6       13.2
   95   0   4   3 35.808  71.615   0.38     3.96    4       51.4       24.6
   96   7   1   0 35.912  71.824   0.381    3.94    4       38.4       13.6
   97   2   6   1 36.275  72.55    0.384    3.86    4       19.5        3.4
   98   7   1  -2 36.452  72.904   0.386    3.83    4      103.2       95.8
   99   2   0  -4 36.883  73.766   0.39     3.74    2       10.2        0.5
  100   6   4  -1 36.928  73.856   0.39     3.73    4       14.3        1.8
  101   5   5  -1 37.067  74.134   0.391    3.71    4       10.7        1.0
  102   5   3  -3 37.186  74.373   0.392    3.69    4       68.0       40.1
  103   5   5   0 37.485  74.97    0.395    3.63    4       13.7        1.6
  104   1   1  -4 37.604  75.208   0.396    3.61    4       60.0       30.5
  105   6   4   0 37.713  75.427   0.397    3.59    4       36.3       11.1
  106   3   1  -4 37.923  75.845   0.399    3.56    4       74.6       46.5
  107   4   4  -3 37.928  75.856   0.399    3.56    4       43.2       15.6
  108   0   6   2 38.171  76.342   0.401    3.52    4       87.7       63.6
  109   4   4   2 38.178  76.357   0.401    3.51    4       51.5       21.9
  110   0   0   4 38.191  76.381   0.401    3.51    2      111.1       50.9
  111   6   2  -3 38.2    76.4     0.401    3.51    4       21.1        3.7
  112   2   6  -2 38.33   76.659   0.403    3.49    4       84.1       58.0
  113   7   3  -1 38.544  77.088   0.404    3.46    4       54.5       24.1
  114   2   2  -4 38.765  77.531   0.406    3.42    4       22.2        4.0
  115   4   0  -4 38.824  77.649   0.407    3.42    2       93.3       34.9
  116   3   5   2 38.838  77.675   0.407    3.41    4      122.8      120.9
  117   4   6  -1 38.954  77.908   0.408    3.4     4       34.4        9.5
  118   6   4  -2 38.97   77.941   0.408    3.39    4       13.0        1.4
  119   4   6   0 39.004  78.008   0.409    3.39    4        9.7        0.7
  120   1   7   0 39.035  78.069   0.409    3.38    4        8.6        0.6
  121   5   3   2 39.26   78.519   0.411    3.35    4       43.6       15.0
  122   1   5  -3 39.36   78.72    0.412    3.34    4        8.6        0.6
  123   3   3   3 39.466  78.932   0.413    3.32    4        2.6        0.1
  124   5   5  -2 39.468  78.937   0.413    3.32    4       13.1        1.3
  125   2   4   3 39.631  79.263   0.414    3.3     4       10.8        0.9
  126   7   3   0 39.68   79.359   0.414    3.3     4       12.9        1.3
  127   7   1   1 39.886  79.773   0.416    3.27    4       31.8        7.8
  128   0   2   4 40.053  80.106   0.418    3.25    4       22.2        3.8
  129   1   7  -1 40.068  80.136   0.418    3.25    4       56.9       24.7
  130   7   3  -2 40.202  80.404   0.419    3.23    4       28.4        6.1
  131   6   0   2 40.205  80.41    0.419    3.23    2       12.3        0.6
  132   3   5  -3 40.394  80.788   0.421    3.21    4        5.5        0.2
  133   1   1   4 40.502  81.005   0.422    3.19    4        2.5        0.0
  134   4   2  -4 40.679  81.358   0.423    3.17    4       46.4       16.0
  135   5   5   1 40.695  81.391   0.423    3.17    4       14.0        1.5
  136   1   7   1 40.786  81.572   0.424    3.16    4       69.2       35.6
  137   7   1  -3 40.928  81.857   0.425    3.15    4       60.7       27.3
  138   4   2   3 41.023  82.045   0.426    3.14    4       12.8        1.2
  139   2   6   2 41.214  82.428   0.428    3.12    4       14.6        1.6
  140   6   4   1 41.276  82.553   0.428    3.11    4        1.1        0.0
  141   8   0  -2 41.298  82.596   0.428    3.11    2       38.7        5.5
  142   1   3  -4 41.322  82.643   0.429    3.1     4       32.6        7.8
  143   5   1  -4 41.438  82.876   0.43     3.09    4       14.8        1.6
  144   8   0   0 41.494  82.988   0.43     3.09    2      103.3       38.7
  145   1   5   3 41.514  83.028   0.43     3.08    4       39.5       11.3
  146   3   3  -4 41.633  83.266   0.431    3.07    4       33.0        7.9
  147   4   6  -2 41.681  83.361   0.432    3.07    4        5.6        0.2
  148   4   6   1 41.827  83.655   0.433    3.05    4       28.8        5.9
  149   8   2  -1 41.853  83.707   0.433    3.05    4       36.4        9.5
  150   6   2   2 42.045  84.091   0.435    3.03    4       41.6       12.3
  151   3   7   0 42.217  84.434   0.436    3.02    4       21.2        3.2
  152   3   7  -1 42.524  85.049   0.439    2.99    4        4.2        0.1
  153   2   0   4 42.659  85.318   0.44     2.98    2       26.6        2.5
  154   8   2  -2 43.13   86.26    0.444    2.94    4       29.4        6.0
  155   8   2   0 43.325  86.65    0.445    2.93    4       17.5        2.1
  156   7   3   1 43.559  87.118   0.447    2.91    4       22.0        3.3
  157   6   4  -3 43.733  87.465   0.449    2.9     4       46.6       14.8
  158   1   7  -2 43.844  87.689   0.45     2.89    4       34.5        8.1
  159   6   0  -4 43.896  87.793   0.45     2.89    2      110.1       41.2
  160   1   3   4 44.167  88.333   0.452    2.87    4       13.6        1.2
  161   5   1   3 44.268  88.536   0.453    2.87    4       24.0        3.9
  162   2   4  -4 44.284  88.567   0.453    2.87    4        5.0        0.2
  163   2   2   4 44.484  88.969   0.455    2.86    4       61.2       25.1
  164   2   6  -3 44.525  89.051   0.455    2.85    4        0.1        0.0
  165   5   5  -3 44.575  89.15    0.456    2.85    4       43.7       12.8
  166   7   3  -3 44.588  89.176   0.456    2.85    4       29.9        6.0
  167   3   7   1 44.654  89.307   0.456    2.85    4       15.7        1.6


  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   2   0  10.275  20.551  4.31825       14.4      1.0      1.0     5.6
    2   1   1  -1  10.389  20.778  4.27142       27.6      2.0      2.0     5.6
    3   1   1   1  12.232  24.464  3.63557       39.1      2.8      2.8     5.6
    4   0   2   1  13.652  27.305  3.26348      118.5      8.4      8.5     5.6
    5   2   2   0  14.089  28.177  3.16439      242.7     17.3     17.3     5.6
    6   3   1   0  15.306  30.612  2.91798      307.7     21.9     21.9     5.6
    7   2   2  -1  15.429  30.857  2.89539     1403.9    100.0    100.0     5.6
    8   3   1  -1  15.896  31.793  2.81228      453.2     32.3     32.3     5.6
    9   2   2   1  18.002  36.005  2.49236     1192.1     84.9     84.5     5.7
   10   1   3  -1  18.065  36.13   2.48403      289.3     20.6     20.5     5.7
   11   2   0  -2  18.268  36.537  2.45729       41.7      3.0      3.0     5.7
   12   1   3   1  19.234  38.469  2.33818       22.3      1.6      1.6     5.7
   13   3   1   1  19.564  39.128  2.30031      254.7     18.1     18.0     5.7
   14   1   1   2  20.509  41.018  2.19855      132.1      9.4      9.3     5.7
   15   0   2   2  20.911  41.821  2.15818      136.6      9.7      9.6     5.7
   16   3   3   0  21.416  42.831  2.1096       155.0     11.0     10.9     5.7
   17   3   3  -1  21.862  43.723  2.0686       236.1     16.8     16.6     5.7
   18   4   2  -1  22.031  44.063  2.05345      108.8      7.8      7.7     5.7
   19   4   2   0  22.101  44.202  2.04729       15.3      1.1      1.1     5.7
   20   2   0   2  22.605  45.21   2.00399      107.6      7.7      7.6     5.7
   21   0   4   1  22.88   45.76   1.98117      244.9     17.4     17.2     5.7
   22   4   0  -2  23.25   46.501  1.95131      200.2     14.3     14.0     5.7
   23   1   3  -2  23.707  47.413  1.91586      135.8      9.7      9.5     5.7
   24   3   3   1  24.787  49.574  1.83729       22.4      1.6      1.6     5.7
   25   5   1   0  25.061  50.122  1.81848      134.0      9.5      9.4     5.7
   26   1   3   2  25.577  51.154  1.78418       43.9      3.1      3.1     5.8
   27   1   5   0  26.973  53.946  1.69826      182.5     13.0     12.7     5.8
   28   5   1  -2  27.495  54.99   1.66846       35.9      2.6      2.5     5.8
   29   0   4   2  28.168  56.336  1.63174      108.5      7.7      7.5     5.8
   30   1   5  -1  28.209  56.418  1.62958       20.1      1.4      1.4     5.8
   31   3   1  -3  28.593  57.186  1.60949       72.5      5.2      5.0     5.8
   32   5   3  -1  29.067  58.133  1.5855       189.5     13.5     13.1     5.8
   33   2   2  -3  29.144  58.287  1.58168      360.1     25.6     24.9     5.8
   34   5   3   0  29.539  59.078  1.56239       60.7      4.3      4.2     5.8
   35   6   0   0  29.796  59.591  1.55015       46.3      3.3      3.2     5.8
   36   4   0   2  30.316  60.632  1.52602      116.1      8.3      8.0     5.8
   37   3   5   0  30.696  61.392  1.50892       77.3      5.5      5.3     5.8
   38   6   2  -1  31.016  62.033  1.49487       57.4      4.1      3.9     5.8
   39   6   0  -2  31.194  62.388  1.4872        68.6      4.9      4.7     5.8
   40   1   3  -3  31.623  63.246  1.46908      200.7     14.3     13.8     5.9
   41   5   3  -2  31.742  63.484  1.46414       20.1      1.4      1.4     5.9
   42   4   4   1  32.307  64.615  1.44123       21.9      1.6      1.5     5.9
   43   0   6   0  32.353  64.706  1.43942       64.7      4.6      4.4     5.9
   44   5   3   1  33.078  66.156  1.41133      255.5     18.2     17.4     5.9
   45   6   2  -2  33.216  66.432  1.40614       38.9      2.8      2.7     5.9
   46   0   6   1  33.849  67.698  1.38288       58.0      4.1      4.0     5.9
   47   2   2   3  33.919  67.838  1.38037       79.5      5.7      5.4     5.9
   48   1   5   2  34.06   68.119  1.37536       73.1      5.2      5.0     5.9
   49   3   5  -2  34.392  68.783  1.3637       134.5      9.6      9.1     5.9
   50   7   1  -1  34.734  69.468  1.35193       23.3      1.7      1.6     5.9
   51   5   1   2  35.477  70.955  1.3272        22.6      1.6      1.5     5.9
   52   6   2   1  35.653  71.305  1.32153       79.9      5.7      5.4     5.9
   53   0   4   3  35.808  71.615  1.31657       24.6      1.7      1.7     5.9
   54   7   1  -2  36.452  72.904  1.29645       95.8      6.8      6.5     6.0
   55   5   3  -3  37.186  74.373  1.27443       40.1      2.9      2.7     6.0
   56   1   1  -4  37.604  75.208  1.26235       30.5      2.2      2.1     6.0
   57   3   1  -4  37.923  75.845  1.25331       62.2      4.4      4.2     6.0
   58   0   6   2  38.171  76.342  1.24639      140.1     10.0      9.4     6.0
   59   2   6  -2  38.33   76.659  1.24202       58.0      4.1      3.9     6.0
   60   7   3  -1  38.544  77.088  1.23618       24.1      1.7      1.6     6.0
   61   3   5   2  38.838  77.675  1.22829      155.8     11.1     10.4     6.0
   62   5   3   2  39.26   78.519  1.21719       15.0      1.1      1.0     6.0
   63   1   7  -1  40.068  80.136  1.19665       28.5      2.0      1.9     6.0
   64   4   2  -4  40.679  81.358  1.18174       17.5      1.2      1.2     6.1
   65   1   7   1  40.786  81.572  1.17918       35.6      2.5      2.4     6.1
   66   7   1  -3  40.928  81.857  1.17579       27.3      1.9      1.8     6.1
   67   8   0   0  41.494  82.988  1.16261       50.0      3.6      3.3     6.1
   68   8   2  -1  41.853  83.707  1.15445       15.4      1.1      1.0     6.1
   69   6   4  -3  43.733  87.465  1.11426       14.8      1.1      1.0     6.2
   70   6   0  -4  43.896  87.793  1.11094       41.2      2.9      2.7     6.2
   71   2   2   4  44.484  88.969  1.09928       25.1      1.8      1.6     6.2
   72   5   5  -3  44.575  89.15   1.09751       18.8      1.3      1.2     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)