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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CLINOFERROSILITE

16, t-pigeonite, syn, at 39.8 GPa, f-pyroxenes, sf-Mg-Fe(Mn)-pyroxenes, s-clinoenstatite

Fe(2)Si(2)O(6)


Monoclinic  P 2(1)/c  Z = 4

R =0.1476          NR =311

16 .6 .17

Ref.Str.:

         A. Pakhomova, L. Ismailova, E. Bykova, M. Bykov, T.B. Ballaran,

         L. Dubrovinsky (2017) * Amer. Mineral., 102, 666-673

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   9.1454   alpha =   90.0 
             b =   7.982    beta  =   99.65
             c =   4.5965   gamma =   90.0 

    Unit cell volume (cub. angs.) =   330.79

    Molar volume ( cub.cm/mol.) =    49.81

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

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

   1 0.2368  0.177   0.4003   0.0    Fe    = 1.00
   2 0.7269  0.0165  0.0835   0.0    Fe    = 1.00
   3 0.5224  0.1644  0.5033   0.0    Si    = 1.00
   4 0.066   0.8443  0.3317   0.0    Si    = 1.00
   5 0.4001  0.1811  0.1275   0.0    O     = 1.00
   6 0.3927  0.4831  0.0993   0.0    O     = 1.00
   7 0.6216  0.3127  0.3476   0.0    O     = 1.00
   8 0.1113  0.3506  0.2076   0.0    O     = 1.00
   9 0.1262  0.0051  0.1946   0.0    O     = 1.00
  10 0.1192  0.6756  0.1871   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2368     0.177      0.4003
     2       2     0.7269     0.0165     0.0835
     3       3     0.5224     0.1644     0.5033
     4       4     0.066      0.8443     0.3317
     5       5     0.4001     0.1811     0.1275
     6       6     0.3927     0.4831     0.0993
     7       7     0.6216     0.3127     0.3476
     8       8     0.1113     0.3506     0.2076
     9       9     0.1262     0.0051     0.1946
    10      10     0.1192     0.6756     0.1871
    11       1     0.7632     0.677      0.0997
    12       2     0.2731     0.5165     0.4165
    13       3     0.4776     0.6644     0.9967
    14       4     0.934      0.3443     0.1683
    15       5     0.5999     0.6811     0.3725
    16       6     0.6073     0.9831     0.4007
    17       7     0.3784     0.8127     0.1524
    18       8     0.8887     0.8506     0.2924
    19       9     0.8738     0.5051     0.3054
    20      10     0.8808     0.1756     0.3129
    21       1     0.2368     0.323      0.9003
    22       2     0.7269     0.4835     0.5835
    23       3     0.5224     0.3356     0.0033
    24       4     0.066      0.6557     0.8317
    25       5     0.4001     0.3189     0.6275
    26       6     0.3927     0.0169     0.5993
    27       7     0.6216     0.1873     0.8476
    28       8     0.1113     0.1494     0.7076
    29       9     0.1262     0.4949     0.6946
    30      10     0.1192     0.8244     0.6871
    31       1     0.7632     0.823      0.5997
    32       2     0.2731     0.9835     0.9165
    33       3     0.4776     0.8356     0.4967
    34       4     0.934      0.1557     0.6683
    35       5     0.5999     0.8189     0.8725
    36       6     0.6073     0.5169     0.9007
    37       7     0.3784     0.6873     0.6524
    38       8     0.8887     0.6494     0.7924
    39       9     0.8738     0.9949     0.8054
    40      10     0.8808     0.3244     0.8129


X-ray density (g/cm cub.)   =      5.3 

MU (1/cm) =     257.879    Mass attenuation coefficient (cm**2/g) =     48.689

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

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

    1    Fe                  2.592        6
                                                 2.1052       5
                                                 1.9181       8
                                                 1.8654       9
                                                 2.0206       5
                                                 2.0167       6
                                                 1.9759       8
    2    Fe                  2.592        6
                                                 1.9818       6
                                                 2.0953       8
                                                 2.0516      10
                                                 1.9          7
                                                 2.0974       5
                                                 2.0113       9
    3    Si                  2.1          6
                                                 1.8984       5
                                                 1.719        7
                                                 1.744        6
                                                 1.8197       5
                                                 1.7783       6
                                                 1.697        7
    4    Si                  2.1          4
                                                 1.5696       9
                                                 1.6127      10
                                                 1.602        8
                                                 1.6322      10
    5    O                   3.264       12
                                                 2.415        6
                                                 2.3543       7
                                                 3.0443       8
                                                 2.933        9
                                                 2.62         6
                                                 2.9502       7
                                                 2.5482       5
                                                 2.5482       5
                                                 2.5442       6
                                                 2.7502       6
                                                 2.5754       7
                                                 3.0092       8
    6    O                   3.264       12
                                                 2.415        5
                                                 2.5948       7
                                                 2.9018       8
                                                 3.0198      10
                                                 2.62         5
                                                 2.6473       7
                                                 2.7502       5
                                                 2.5442       5
                                                 2.8089       9
                                                 2.3142       6
                                                 3.0409       7
                                                 2.608        7
    7    O                   3.264       12
                                                 2.3543       5
                                                 2.5948       6
                                                 2.9502       5
                                                 2.6473       6
                                                 2.8046       9
                                                 2.6406      10
                                                 2.5754       5
                                                 2.5069       7
                                                 2.5069       7
                                                 3.0409       6
                                                 2.608        6
                                                 2.9163      10
    8    O                   3.264       12
                                                 3.0443       5
                                                 2.9018       6
                                                 2.7622       9
                                                 2.5973      10
                                                 2.6019       9
                                                 2.6403      10
                                                 3.0092       5
                                                 2.8034       8
                                                 2.8034       8
                                                 2.5008       9
                                                 2.6487       9
                                                 2.5487      10
    9    O                   3.264       12
                                                 2.933        5
                                                 2.7622       8
                                                 2.631       10
                                                 2.8046       7
                                                 2.6018       8
                                                 2.7555      10
                                                 2.8089       6
                                                 2.6487       8
                                                 2.5008       8
                                                 2.6938      10
                                                 2.734       10
                                                 2.6739       9
   10    O                   3.264       12
                                                 3.0198       6
                                                 2.5973       8
                                                 2.631        9
                                                 2.6406       7
                                                 2.6403       8
                                                 2.7555       9
                                                 2.734        9
                                                 2.6938       9
                                                 2.5873      10
                                                 2.5873      10
                                                 2.9163       7
                                                 2.5487       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   1   0   0  5.694  11.387   0.055  200.23    2       13.7       69.2
    2   1   1   0  8.608  17.215   0.084   86.35    4       50.8      813.4
    3   2   0   0 11.444  22.889   0.111   47.91    2       80.9      572.6
    4   0   2   0 12.951  25.902   0.125   36.96    2       12.7       10.9
    5   0   1   1 13.119  26.239   0.127   35.96    4        2.1        0.6
    6   2   1   0 13.172  26.344   0.127   35.66    4        3.8        1.8
    7   1   1  -1 13.538  27.076   0.131   33.65    4        7.0        6.1
    8   1   2   0 14.187  28.375   0.137   30.46    4        3.4        1.3
    9   1   1   1 15.107  30.215   0.146   26.64    4       14.2       19.6
   10   2   1  -1 16.192  32.383   0.156   22.94    4       43.2      156.7
   11   3   0   0 17.315  34.63    0.166   19.83    2       20.7       15.5
   12   0   2   1 17.377  34.753   0.167   19.68    4        7.3        3.8
   13   2   2   0 17.417  34.835   0.167   19.58    4       61.2      267.8
   14   1   2  -1 17.703  35.406   0.17    18.89    4       27.9       53.7
   15   3   1   0 18.543  37.087   0.178   17.07    4      103.7      670.4
   16   2   1   1 18.815  37.631   0.18    16.53    4       97.3      571.9
   17   1   2   1 18.963  37.926   0.182   16.24    4       83.7      415.9
   18   2   2  -1 19.862  39.723   0.19    14.66    4       70.1      263.5
   19   3   1  -1 20.304  40.607   0.194   13.96    4       78.0      310.7
   20   1   3   0 20.519  41.037   0.196   13.64    4       27.9       38.8
   21   3   2   0 21.874  43.749   0.208   11.81    4       46.9       94.9
   22   2   2   1 22.112  44.224   0.21    11.53    4       62.5      164.8
   23   0   3   1 22.945  45.89    0.218   10.61    4      159.8      989.8
   24   2   3   0 22.977  45.954   0.218   10.57    4        2.3        0.2
   25   1   0  -2 22.991  45.983   0.218   10.56    2      181.7      637.3
   26   1   3  -1 23.205  46.41    0.22    10.34    4       58.5      129.4
   27   0   0   2 23.252  46.504   0.221   10.29    2       30.3       17.3
   28   4   0   0 23.38   46.761   0.222   10.16    2       47.2       41.3
   29   3   2  -1 23.427  46.855   0.222   10.12    4      112.8      470.3
   30   3   1   1 23.562  47.124   0.223    9.99    4       16.1        9.4
   31   1   1  -2 23.976  47.951   0.227    9.6     4       13.6        6.5
   32   1   3   1 24.227  48.453   0.229    9.38    4      101.8      355.0
   33   0   1   2 24.228  48.457   0.229    9.38    4       32.1       35.3
   34   2   0  -2 24.27   48.541   0.23     9.34    2       75.8       98.1
   35   4   1   0 24.353  48.705   0.231    9.27    4       47.5       76.3
   36   2   3  -1 24.971  49.942   0.236    8.75    4        3.6        0.4
   37   1   0   2 25.016  50.032   0.236    8.72    2        4.2        0.3
   38   2   1  -2 25.217  50.434   0.238    8.56    4       64.3      129.3
   39   4   1  -1 25.307  50.615   0.239    8.49    4        4.4        0.6
   40   1   1   2 25.943  51.885   0.245    8.02    4       31.8       29.6
   41   3   2   1 26.383  52.767   0.248    7.72    4       67.7      129.2
   42   0   4   0 26.631  53.261   0.251    7.56    2       15.2        3.2
   43   3   3   0 26.679  53.358   0.251    7.53    4       41.6       47.7
   44   1   2  -2 26.764  53.529   0.252    7.47    4       10.6        3.0
   45   2   3   1 26.884  53.769   0.253    7.4     4      146.7      581.8
   46   3   0  -2 26.924  53.848   0.253    7.37    2      167.8      379.4
   47   0   2   2 26.998  53.996   0.254    7.33    4       21.0       11.8
   48   4   2   0 27.113  54.226   0.255    7.26    4        8.8        2.1
   49   1   4   0 27.328  54.656   0.257    7.13    4       28.8       21.6
   50   3   1  -2 27.806  55.611   0.261    6.85    4       35.4       31.5
   51   2   2  -2 27.916  55.832   0.262    6.79    4       12.4        3.8
   52   4   2  -1 28.0    56.0     0.262    6.75    4       42.6       44.8
   53   3   3  -1 28.032  56.064   0.263    6.73    4        7.3        1.3
   54   2   0   2 28.074  56.149   0.263    6.71    2        5.0        0.3
   55   1   2   2 28.594  57.187   0.268    6.43    4       25.5       15.3
   56   2   1   2 28.932  57.864   0.27     6.26    4       92.4      195.6
   57   4   1   1 29.015  58.029   0.271    6.22    4       30.4       21.1
   58   0   4   1 29.326  58.652   0.274    6.08    4       10.3        2.3
   59   2   4   0 29.353  58.706   0.274    6.06    4       78.5      136.7
   60   1   4  -1 29.545  59.09    0.276    5.97    4        2.2        0.1
   61   5   0   0 29.738  59.477   0.277    5.89    2       55.1       32.7
   62   3   2  -2 30.347  60.695   0.282    5.63    4       62.0       79.2
   63   1   4   1 30.414  60.829   0.283    5.6     4       29.1       17.3
   64   5   1   0 30.567  61.133   0.284    5.54    4       21.2        9.1
   65   3   3   1 30.674  61.348   0.285    5.49    4       88.7      158.0
   66   4   0  -2 30.71   61.42    0.285    5.48    2       65.7       43.2
   67   5   1  -1 30.967  61.933   0.288    5.38    4       36.3       25.9
   68   1   3  -2 31.02   62.041   0.288    5.36    4       22.3        9.7
   69   2   4  -1 31.055  62.111   0.288    5.35    4       16.8        5.5
   70   0   3   2 31.233  62.466   0.29     5.28    4       48.9       46.2
   71   4   3   0 31.338  62.676   0.291    5.24    4       11.2        2.4
   72   2   2   2 31.417  62.833   0.291    5.21    4       65.2       81.0
   73   4   2   1 31.495  62.99    0.292    5.18    4       45.9       40.0
   74   4   1  -2 31.523  63.046   0.292    5.17    4       64.8       79.4
   75   2   3  -2 32.074  64.148   0.297    4.98    4       22.9        9.5
   76   4   3  -1 32.151  64.303   0.297    4.95    4      122.8      273.0
   77   3   0   2 32.191  64.383   0.298    4.94    2      157.2      223.1
   78   3   4   0 32.551  65.102   0.301    4.82    4       42.7       32.2
   79   1   3   2 32.699  65.397   0.302    4.78    4       14.9        3.9
   80   2   4   1 32.733  65.466   0.302    4.77    4       53.3       49.5
   81   5   2   0 32.978  65.957   0.304    4.69    4       44.2       33.4
   82   3   1   2 32.984  65.968   0.304    4.69    4       10.3        1.8
   83   5   2  -1 33.362  66.724   0.307    4.58    4       37.0       23.0
   84   3   4  -1 33.757  67.513   0.311    4.47    4       87.8      125.7
   85   4   2  -2 33.897  67.794   0.312    4.43    4       39.7       25.5
   86   3   3  -2 34.33   68.661   0.315    4.31    4        2.2        0.1
   87   1   5   0 34.681  69.363   0.318    4.22    4       54.6       46.0
   88   5   1   1 35.086  70.172   0.321    4.12    4       33.8       17.2
   89   3   2   2 35.308  70.616   0.323    4.07    4       20.2        6.1
   90   2   3   2 35.335  70.67    0.323    4.07    4       25.2        9.5
   91   4   3   1 35.409  70.818   0.324    4.05    4      144.6      309.5
   92   5   0  -2 35.442  70.883   0.324    4.04    2      150.2      166.7
   93   3   4   1 36.16   72.321   0.33     3.89    4       32.7       15.2
   94   5   1  -2 36.2    72.4     0.33     3.88    4       34.2       16.6
   95   0   5   1 36.445  72.89    0.332    3.83    4        0.5        0.0
   96   2   5   0 36.469  72.939   0.332    3.82    4       10.0        1.4
   97   1   1  -3 36.473  72.946   0.332    3.82    4        3.1        0.1
   98   1   4  -2 36.48   72.96    0.332    3.82    4        3.2        0.1
   99   6   0   0 36.53   73.061   0.333    3.81    2      132.6      122.5
  100   1   5  -1 36.641  73.283   0.334    3.79    4       11.1        1.7
  101   0   4   2 36.677  73.354   0.334    3.78    4       24.5        8.3
  102   4   4   0 36.774  73.548   0.335    3.76    4       10.9        1.6
  103   5   3   0 36.815  73.629   0.335    3.76    4       40.5       22.6
  104   2   1  -3 37.06   74.121   0.337    3.71    4       19.9        5.4
  105   0   1   3 37.062  74.124   0.337    3.71    4        3.7        0.2
  106   5   3  -1 37.18   74.361   0.338    3.69    4      175.4      414.4
  107   4   0   2 37.218  74.437   0.338    3.68    2      154.5      160.4
  108   6   1  -1 37.254  74.508   0.338    3.67    4       27.0        9.8
  109   6   1   0 37.28   74.559   0.339    3.67    4       33.5       15.0
  110   5   2   1 37.351  74.701   0.339    3.66    4       10.7        1.5
  111   1   5   1 37.424  74.847   0.34     3.64    4       16.4        3.6
  112   2   4  -2 37.458  74.915   0.34     3.64    4        6.7        0.6
  113   4   4  -1 37.53   75.06    0.341    3.62    4        3.7        0.2
  114   4   3  -2 37.691  75.383   0.342    3.6     4       15.5        3.2
  115   4   1   2 37.963  75.925   0.344    3.55    4       24.5        7.8
  116   2   5  -1 38.006  76.011   0.344    3.54    4       14.1        2.6
  117   1   4   2 38.041  76.083   0.344    3.54    4       40.3       21.0
  118   5   2  -2 38.439  76.878   0.348    3.47    4        7.0        0.6
  119   1   2  -3 38.706  77.413   0.35     3.43    4        1.5        0.0
  120   3   1  -3 38.805  77.609   0.35     3.42    4       41.7       21.7
  121   1   1   3 38.807  77.615   0.35     3.42    4       75.4       71.0
  122   3   3   2 39.046  78.093   0.352    3.38    4       16.1        3.2
  123   2   2  -3 39.282  78.565   0.354    3.35    4       24.7        7.5
  124   0   2   3 39.284  78.567   0.354    3.35    4       63.6       49.6
  125   3   5   0 39.378  78.757   0.355    3.34    4      105.6      136.1
  126   6   2  -1 39.472  78.945   0.355    3.32    4       17.1        3.5
  127   6   2   0 39.497  78.995   0.356    3.32    4        1.7        0.0
  128   2   5   1 39.547  79.093   0.356    3.31    4       29.4       10.5
  129   3   4  -2 39.579  79.159   0.356    3.31    4       88.6       95.0
  130   4   2   2 40.169  80.337   0.361    3.23    4       26.0        8.0
  131   3   5  -1 40.5    81.0     0.363    3.19    4       54.6       34.8
  132   2   4   2 40.536  81.071   0.363    3.19    4       47.1       25.9
  133   4   4   1 40.606  81.213   0.364    3.18    4       36.9       15.8
  134   3   2  -3 40.998  81.997   0.367    3.14    4       23.0        6.1
  135   1   2   3 41.001  82.002   0.367    3.14    4       14.0        2.2
  136   5   3   1 41.026  82.052   0.367    3.14    4        9.2        1.0
  137   6   0  -2 41.056  82.113   0.367    3.13    2        7.0        0.3
  138   4   1  -3 41.664  83.329   0.372    3.07    4       37.4       15.7
  139   2   1   3 41.668  83.336   0.372    3.07    4       38.4       16.5
  140   6   1  -2 41.782  83.563   0.372    3.06    4       27.0        8.2
  141   6   1   1 41.856  83.711   0.373    3.05    4       50.8       28.8
  142   5   4   0 41.956  83.912   0.374    3.04    4        5.0        0.3
  143   5   3  -2 42.088  84.177   0.375    3.03    4        4.1        0.2
  144   0   6   0 42.249  84.499   0.376    3.02    2      223.3      274.9
  145   5   4  -1 42.309  84.619   0.376    3.01    4       31.7       11.0
  146   1   3  -3 42.351  84.701   0.377    3.01    4      235.0      607.1
  147   3   5   1 42.773  85.546   0.38     2.97    4       26.7        7.8
  148   4   4  -2 42.805  85.609   0.38     2.97    4       20.0        4.3
  149   1   6   0 42.815  85.631   0.38     2.97    4        4.8        0.2
  150   2   3  -3 42.916  85.832   0.381    2.96    4       38.7       16.2
  151   0   3   3 42.917  85.834   0.381    2.96    4       24.0        6.2
  152   1   5  -2 43.079  86.158   0.382    2.95    4        2.2        0.1
  153   6   3  -1 43.103  86.205   0.382    2.95    4      113.6      138.9
  154   6   3   0 43.127  86.254   0.382    2.94    4        4.5        0.2
  155   5   0   2 43.14   86.28    0.382    2.94    2      130.7       91.9
  156   0   5   2 43.268  86.535   0.383    2.93    4       39.3       16.6
  157   4   5   0 43.361  86.722   0.384    2.93    4        9.5        1.0
  158   4   3   2 43.789  87.577   0.387    2.9     4       11.2        1.3
  159   4   2  -3 43.83   87.66    0.387    2.9     4       85.2       76.9
  160   2   2   3 43.834  87.668   0.387    2.89    4       81.1       69.6
  161   5   1   2 43.86   87.721   0.387    2.89    4       24.6        6.4
  162   6   2  -2 43.947  87.893   0.388    2.89    4       24.5        6.3
  163   7   0   0 43.984  87.968   0.388    2.89    2       13.3        0.9
  164   2   5  -2 44.02   88.039   0.388    2.88    4       63.6       42.7
  165   6   2   1 44.02   88.041   0.388    2.88    4       33.5       11.8
  166   4   5  -1 44.09   88.179   0.389    2.88    4       34.1       12.2
  167   3   4   2 44.125  88.251   0.389    2.88    4       18.5        3.6
  168   7   1  -1 44.303  88.606   0.39     2.87    4       80.0       67.0
  169   0   6   1 44.486  88.972   0.392    2.86    4       45.6       21.7
  170   2   6   0 44.509  89.018   0.392    2.85    4       40.9       17.5
  171   1   5   2 44.585  89.17    0.392    2.85    4       49.3       25.3
  172   3   3  -3 44.609  89.217   0.393    2.85    4       63.4       41.9
  173   1   3   3 44.611  89.223   0.393    2.85    4       35.6       13.2
  174   1   6  -1 44.674  89.347   0.393    2.85    4       71.9       53.8
  175   7   1   0 44.704  89.407   0.393    2.84    4       68.8       49.1


  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   1   0   0   5.694  11.387  9.01599       69.2      7.0      7.2     5.6
    2   1   1   0   8.608  17.215  5.97641      813.4     82.2     84.2     5.6
    3   2   0   0  11.444  22.889  4.508        572.6     57.9     59.1     5.6
    4   0   2   0  12.951  25.902  3.991         10.9      1.1      1.1     5.6
    5   1   1   1  15.107  30.215  3.43193       19.6      2.0      2.0     5.6
    6   2   1  -1  16.192  32.383  3.20765      156.7     15.8     16.0     5.6
    7   3   0   0  17.315  34.63   3.00533       15.5      1.6      1.6     5.7
    8   2   2   0  17.417  34.835  2.98821      267.8     27.1     27.4     5.7
    9   1   2  -1  17.703  35.406  2.94146       53.7      5.4      5.5     5.7
   10   3   1   0  18.543  37.087  2.81258      670.4     67.7     68.3     5.7
   11   2   1   1  18.815  37.631  2.77335      571.9     57.8     58.3     5.7
   12   1   2   1  18.963  37.926  2.75252      415.9     42.0     42.4     5.7
   13   2   2  -1  19.862  39.723  2.6327       263.5     26.6     26.8     5.7
   14   3   1  -1  20.304  40.607  2.57774      310.7     31.4     31.6     5.7
   15   1   3   0  20.519  41.037  2.55187       38.8      3.9      3.9     5.7
   16   3   2   0  21.874  43.749  2.40077       94.9      9.6      9.6     5.7
   17   2   2   1  22.112  44.224  2.37623      164.8     16.6     16.7     5.7
   18   0   3   1  22.945  45.89   2.2944       989.8    100.0    100.0     5.7
   19   1   0  -2  22.991  45.983  2.29002      637.3     64.4     64.4     5.7
   20   1   3  -1  23.205  46.41   2.27006      129.4     13.1     13.1     5.7
   21   0   0   2  23.252  46.504  2.26573       17.3      1.7      1.7     5.7
   22   4   0   0  23.38   46.761  2.254         41.3      4.2      4.2     5.7
   23   3   2  -1  23.427  46.855  2.24971      470.3     47.5     47.5     5.7
   24   1   3   1  24.227  48.453  2.17976      390.3     39.4     39.3     5.7
   25   2   0  -2  24.27   48.541  2.17607       98.1      9.9      9.9     5.7
   26   4   1   0  24.353  48.705  2.16917       76.3      7.7      7.7     5.7
   27   2   1  -2  25.217  50.434  2.09945      129.3     13.1     13.0     5.8
   28   1   1   2  25.943  51.885  2.04462       29.6      3.0      3.0     5.8
   29   3   2   1  26.383  52.767  2.01286      129.2     13.1     12.9     5.8
   30   3   3   0  26.679  53.358  1.99214       47.7      4.8      4.8     5.8
   31   2   3   1  26.884  53.769  1.97805      581.8     58.8     58.2     5.8
   32   3   0  -2  26.924  53.848  1.97535      379.4     38.3     38.0     5.8
   33   0   2   2  26.998  53.996  1.97035       11.8      1.2      1.2     5.8
   34   1   4   0  27.328  54.656  1.94835       21.6      2.2      2.2     5.8
   35   3   1  -2  27.806  55.611  1.9175        31.5      3.2      3.1     5.8
   36   4   2  -1  28.0    56.0    1.90523       44.8      4.5      4.5     5.8
   37   1   2   2  28.594  57.187  1.86893       15.3      1.5      1.5     5.8
   38   2   1   2  28.932  57.864  1.84892      195.6     19.8     19.5     5.8
   39   4   1   1  29.015  58.029  1.84412       21.1      2.1      2.1     5.8
   40   2   4   0  29.353  58.706  1.82472      139.1     14.1     13.8     5.8
   41   5   0   0  29.738  59.477  1.8032        32.7      3.3      3.2     5.8
   42   3   2  -2  30.347  60.695  1.77036       79.2      8.0      7.8     5.8
   43   1   4   1  30.414  60.829  1.76684       17.3      1.7      1.7     5.8
   44   3   3   1  30.674  61.348  1.75332      158.0     16.0     15.6     5.8
   45   4   0  -2  30.71   61.42   1.75148       43.2      4.4      4.3     5.8
   46   5   1  -1  30.967  61.933  1.73837       25.9      2.6      2.6     5.8
   47   0   3   2  31.233  62.466  1.72502       46.2      4.7      4.6     5.8
   48   2   2   2  31.417  62.833  1.71597       81.0      8.2      8.0     5.9
   49   4   1  -2  31.523  63.046  1.71077      119.4     12.1     11.8     5.9
   50   4   3  -1  32.151  64.303  1.68081      273.0     27.6     26.9     5.9
   51   3   0   2  32.191  64.383  1.67895      223.1     22.5     22.0     5.9
   52   3   4   0  32.551  65.102  1.66241       32.2      3.2      3.2     5.9
   53   2   4   1  32.733  65.466  1.6542        49.5      5.0      4.9     5.9
   54   5   2   0  32.978  65.957  1.64326       35.3      3.6      3.5     5.9
   55   5   2  -1  33.362  66.724  1.6265        23.0      2.3      2.3     5.9
   56   3   4  -1  33.757  67.513  1.60971      125.7     12.7     12.3     5.9
   57   4   2  -2  33.897  67.794  1.60383       25.5      2.6      2.5     5.9
   58   1   5   0  34.681  69.363  1.57195       46.0      4.7      4.5     5.9
   59   5   1   1  35.086  70.172  1.55611       17.2      1.7      1.7     5.9
   60   2   3   2  35.335  70.67   1.54656       15.5      1.6      1.5     5.9
   61   4   3   1  35.409  70.818  1.54374      309.5     31.3     30.2     5.9
   62   5   0  -2  35.442  70.883  1.54251      166.7     16.8     16.2     5.9
   63   3   4   1  36.16   72.321  1.51591       15.2      1.5      1.5     5.9
   64   5   1  -2  36.2    72.4    1.51449       16.6      1.7      1.6     5.9
   65   6   0   0  36.53   73.061  1.50267      122.5     12.4     11.9     6.0
   66   5   3   0  36.815  73.629  1.49269       22.6      2.3      2.2     6.0
   67   5   3  -1  37.18   74.361  1.4801       414.4     41.9     40.1     6.0
   68   4   0   2  37.218  74.437  1.4788       160.4     16.2     15.5     6.0
   69   6   1   0  37.28   74.559  1.47673       24.8      2.5      2.4     6.0
   70   1   4   2  38.041  76.083  1.4515        21.0      2.1      2.0     6.0
   71   1   1   3  38.807  77.615  1.42725       92.7      9.4      8.9     6.0
   72   0   2   3  39.284  78.567  1.41269       57.1      5.8      5.5     6.0
   73   3   5   0  39.378  78.757  1.40984      136.1     13.7     13.1     6.0
   74   2   5   1  39.547  79.093  1.40482       10.5      1.1      1.0     6.0
   75   3   4  -2  39.579  79.159  1.40385       95.0      9.6      9.1     6.0
   76   3   5  -1  40.5    81.0    1.37726       34.8      3.5      3.3     6.1
   77   2   4   2  40.536  81.071  1.37626       25.9      2.6      2.5     6.1
   78   4   4   1  40.606  81.213  1.37428       15.8      1.6      1.5     6.1
   79   2   1   3  41.668  83.336  1.34543       32.3      3.3      3.1     6.1
   80   6   1   1  41.856  83.711  1.3405        28.8      2.9      2.7     6.1
   81   0   6   0  42.249  84.499  1.33033      274.9     27.8     26.0     6.1
   82   5   4  -1  42.309  84.619  1.3288        11.0      1.1      1.0     6.1
   83   1   3  -3  42.351  84.701  1.32775      607.1     61.3     57.4     6.1
   84   2   3  -3  42.916  85.832  1.3136        22.4      2.3      2.1     6.1
   85   6   3  -1  43.103  86.205  1.30902      139.1     14.1     13.1     6.1
   86   5   0   2  43.14   86.28   1.30811       91.9      9.3      8.7     6.1
   87   0   5   2  43.268  86.535  1.305         16.6      1.7      1.6     6.1
   88   4   2  -3  43.83   87.66   1.2916       152.9     15.4     14.3     6.2
   89   2   5  -2  44.02   88.039  1.28717       54.5      5.5      5.1     6.2
   90   4   5  -1  44.09   88.179  1.28555       12.2      1.2      1.1     6.2
   91   7   1  -1  44.303  88.606  1.28063       67.0      6.8      6.3     6.2
   92   0   6   1  44.486  88.972  1.27646       39.2      4.0      3.7     6.2
   93   3   3  -3  44.609  89.217  1.27369       80.4      8.1      7.5     6.2
   94   1   6  -1  44.674  89.347  1.27222      103.0     10.4      9.6     6.2

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