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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ORTHOCLASE

1, f-feldspar, sf-Na-K-feldspar

KAlSi(3)O(8)


Monoclinic  C 2/m  Z = 4

R =0.072          NR =465

17 .5 .1988

Ref.Str.:

         Colville A.A., Ribbe P.H. (1968)

         * Amer. Mineral., 53, 25-37

                   Initial data from BDM-file 

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

             a =   8.561    alpha =   90.0 
             b =  12.996    beta  =  116.1 
             c =   7.192    gamma =   90.0 

    Unit cell volume (cub. angs.) =   718.58

    Molar volume ( cub.cm/mol.) =   108.21

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

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

   1 0.2838  0.0     0.1373   0.0    K     = 1.00
   2 0.0     0.1459  0.0      0.0    O     = 1.00
   3 0.6346  0.0     0.2851   0.0    O     = 1.00
   4 0.0095  0.1844  0.2239   0.0    Al    = 0.25, Si    = 0.75
   5 0.7089  0.1178  0.3443   0.0    Al    = 0.25, Si    = 0.75
   6 0.828   0.147   0.2282   0.0    O     = 1.00
   7 0.0349  0.3106  0.2607   0.0    O     = 1.00
   8 0.1815  0.1258  0.4065   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2838     0.0        0.1373
     2       2     0.0        0.1459     0.0   
     3       3     0.6346     0.0        0.2851
     4       4     0.0095     0.1844     0.2239
     5       5     0.7089     0.1178     0.3443
     6       6     0.828      0.147      0.2282
     7       7     0.0349     0.3106     0.2607
     8       8     0.1815     0.1258     0.4065
     9       1     0.7162     0.0        0.8627
    10       2     0.0        0.8541     0.0   
    11       3     0.3654     0.0        0.7149
    12       4     0.9905     0.8156     0.7761
    13       5     0.2911     0.8822     0.6557
    14       6     0.172      0.853      0.7718
    15       7     0.9651     0.6894     0.7393
    16       8     0.8185     0.8742     0.5935
    17       4     0.0095     0.8156     0.2239
    18       5     0.7089     0.8822     0.3443
    19       6     0.828      0.853      0.2282
    20       7     0.0349     0.6894     0.2607
    21       8     0.1815     0.8742     0.4065
    22       4     0.9905     0.1844     0.7761
    23       5     0.2911     0.1178     0.6557
    24       6     0.172      0.147      0.7718
    25       7     0.9651     0.3106     0.7393
    26       8     0.8185     0.1258     0.5935
    27       1     0.7838     0.5        0.1373
    28       2     0.5        0.3541     0.0   
    29       3     0.1346     0.5        0.2851
    30       4     0.5095     0.3156     0.2239
    31       5     0.2089     0.3822     0.3443
    32       6     0.328      0.353      0.2282
    33       7     0.5349     0.1894     0.2607
    34       8     0.6815     0.3742     0.4065
    35       1     0.2162     0.5        0.8627
    36       2     0.5        0.6459     0.0   
    37       3     0.8654     0.5        0.7149
    38       4     0.4905     0.6844     0.7761
    39       5     0.7911     0.6178     0.6557
    40       6     0.672      0.647      0.7718
    41       7     0.4651     0.8106     0.7393
    42       8     0.3185     0.6258     0.5935
    43       4     0.5095     0.6844     0.2239
    44       5     0.2089     0.6178     0.3443
    45       6     0.328      0.647      0.2282
    46       7     0.5349     0.8106     0.2607
    47       8     0.6815     0.6258     0.4065
    48       4     0.4905     0.3156     0.7761
    49       5     0.7911     0.3822     0.6557
    50       6     0.672      0.353      0.7718
    51       7     0.4651     0.1894     0.7393
    52       8     0.3185     0.3742     0.5935


X-ray density (g/cm cub.)   =      2.57

MU (1/cm) =     124.564    Mass attenuation coefficient (cm**2/g) =     48.433

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

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

    1    K                   3.228        9
                                                 2.8918       2
                                                 2.7093       3
                                                 2.9462       8
                                                 2.8918       2
                                                 3.0433       6
                                                 2.9462       8
                                                 3.0433       6
                                                 3.1287       7
                                                 3.1287       7
    2    O                   3.264        6
                                                 2.6436       6
                                                 2.7737       7
                                                 2.6519       8
                                                 2.6436       6
                                                 2.7737       7
                                                 2.6519       8
    3    O                   3.264        6
                                                 2.6748       6
                                                 2.6455       8
                                                 2.6748       6
                                                 2.6455       8
                                                 2.5858       7
                                                 2.5858       7
    4   Al   ,Si             2.316        4
                                                 1.6537       2
                                                 1.6413       6
                                                 1.6603       7
                                                 1.6647       8
    5   Al   ,Si             2.316        4
                                                 1.6405       3
                                                 1.6217       6
                                                 1.6198       8
                                                 1.6304       7
    6    O                   3.264        6
                                                 2.6436       2
                                                 2.6748       3
                                                 2.7108       7
                                                 2.7321       8
                                                 2.6782       8
                                                 2.6778       7
    7    O                   3.264        6
                                                 2.7737       2
                                                 2.7108       6
                                                 2.699        8
                                                 2.5858       3
                                                 2.6778       6
                                                 2.6821       8
    8    O                   3.264        6
                                                 2.6519       2
                                                 2.7321       6
                                                 2.699        7
                                                 2.6455       3
                                                 2.6782       6
                                                 2.6821       7

  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  6.685  13.37    0.076  144.62    4       18.0       36.3
    2   0   2   0  6.808  13.616   0.077  139.37    2       27.6       41.1
    3   0   0   1  6.85   13.699   0.077  137.65    2       16.6       14.8
    4   1   1  -1  7.55   15.099   0.085  112.91    4       22.8       45.4
    5   0   2   1  9.681  19.361   0.109   67.81    4       15.9       13.3
    6   2   0  -1 10.522  21.045   0.119   57.06    2      129.4      370.3
    7   1   1   1 11.284  22.569   0.127   49.34    4       55.0      115.4
    8   2   0   0 11.559  23.119   0.13    46.92    2       40.5       29.8
    9   1   3   0 11.777  23.553   0.132   45.13    4      119.8      501.9
   10   1   3  -1 12.298  24.595   0.138   41.21    4       57.0      103.6
   11   2   2  -1 12.575  25.15    0.141   39.33    4       49.1       73.4
   12   1   1  -2 12.844  25.689   0.144   37.61    4      107.6      337.3
   13   2   2   0 13.463  26.927   0.151   34.05    4      157.7      656.1
   14   2   0  -2 13.563  27.125   0.152   33.52    2      170.6      377.7
   15   0   4   0 13.714  27.429   0.154   32.74    2      118.8      178.9
   16   0   0   2 13.8    27.599   0.155   32.31    2      201.4      507.5
   17   1   3   1 14.932  29.864   0.167   27.31    4      136.3      393.3
   18   2   2  -2 15.234  30.468   0.171   26.16    4       50.0       50.6
   19   0   4   1 15.39   30.78    0.172   25.6     4       91.7      166.8
   20   0   2   2 15.448  30.896   0.173   25.39    4       60.4       71.8
   21   2   0   1 15.938  31.876   0.178   23.74    2       13.3        1.6
   22   3   1  -1 16.061  32.122   0.18    23.35    4       17.8        5.7
   23   1   3  -2 16.167  32.333   0.181   23.02    4       91.7      150.1
   24   3   1  -2 17.223  34.446   0.192   20.06    4       91.8      131.1
   25   2   2   1 17.403  34.807   0.194   19.61    4       38.9       23.0
   26   2   4  -1 17.413  34.827   0.194   19.59    4      128.6      251.0
   27   1   1   2 17.605  35.209   0.196   19.13    4       67.5       67.6
   28   3   1   0 17.84   35.681   0.199   18.58    4       66.3       63.3
   29   2   4   0 18.085  36.169   0.201   18.03    4       40.0       22.4
   30   1   5   0 18.23   36.46    0.203   17.72    4        0.5        0.0
   31   1   5  -1 18.585  37.169   0.207   16.98    4       68.5       61.7
   32   3   3  -1 18.874  37.748   0.21    16.41    4       79.4       80.2
   33   2   0  -3 18.915  37.83    0.21    16.33    2        7.6        0.4
   34   1   1  -3 19.372  38.744   0.215   15.5     4       59.9       43.1
   35   2   4  -2 19.479  38.959   0.216   15.31    4        2.7        0.1
   36   0   4   2 19.652  39.304   0.218   15.01    4        3.9        0.2
   37   3   3  -2 19.893  39.785   0.221   14.61    4       42.6       20.6
   38   2   2  -3 20.192  40.383   0.224   14.13    4       26.2        7.5
   39   1   3   2 20.231  40.462   0.224   14.07    4       16.6        3.0
   40   3   3   0 20.44   40.881   0.227   13.75    4       26.1        7.3
   41   1   5   1 20.496  40.992   0.227   13.67    4       52.3       29.0
   42   0   6   0 20.832  41.663   0.231   13.18    2      185.3      175.3
   43   3   1  -3 20.899  41.798   0.232   13.09    4       11.4        1.3
   44   0   0   3 20.965  41.929   0.232   13.0     2       25.5        3.3
   45   2   4   1 21.271  42.543   0.235   12.58    4       88.9       77.1
   46   4   0  -1 21.37   42.741   0.237   12.45    2       74.7       26.9
   47   4   0  -2 21.422  42.845   0.237   12.38    2       85.5       35.0
   48   1   5  -2 21.45   42.9     0.237   12.35    4        5.7        0.3
   49   1   3  -3 21.818  43.636   0.241   11.88    4       25.4        5.9
   50   2   0   2 21.899  43.798   0.242   11.78    2       59.3       16.1
   51   3   1   1 21.942  43.884   0.243   11.73    4       48.4       21.3
   52   0   6   1 22.03   44.06    0.243   11.63    4       64.7       37.7
   53   0   2   3 22.143  44.286   0.245   11.49    4        8.4        0.6
   54   4   2  -1 22.532  45.063   0.249   11.05    4        9.9        0.8
   55   4   2  -2 22.581  45.163   0.249   11.0     4      105.7       95.2
   56   2   2   2 23.039  46.077   0.254   10.51    4      100.6       82.5
   57   3   3  -3 23.213  46.426   0.256   10.33    4       53.6       23.0
   58   2   6  -1 23.564  47.128   0.259    9.99    4       29.3        6.6
   59   4   0   0 23.626  47.253   0.26     9.93    2      142.8       78.4
   60   3   5  -1 23.645  47.29    0.26     9.91    4       54.8       23.1
   61   2   4  -3 23.679  47.358   0.261    9.88    4        4.3        0.1
   62   4   0  -3 23.77   47.54    0.262    9.79    2      108.3       44.5
   63   2   6   0 24.091  48.183   0.265    9.5     4       43.6       14.0
   64   3   3   1 24.176  48.353   0.266    9.42    4       42.2       13.0
   65   3   5  -2 24.501  49.002   0.269    9.14    4       24.2        4.2
   66   1   1   3 24.586  49.173   0.27     9.07    4       86.0       52.0
   67   4   2   0 24.704  49.408   0.271    8.97    4       46.2       14.8
   68   1   5   2 24.788  49.577   0.272    8.9     4       46.5       14.9
   69   4   2  -3 24.843  49.687   0.273    8.86    4       37.1        9.5
   70   3   5   0 24.967  49.935   0.274    8.76    4       60.6       24.9
   71   2   6  -2 25.213  50.426   0.277    8.56    4       67.5       30.2
   72   1   7   0 25.266  50.532   0.277    8.52    4       13.6        1.2
   73   0   6   2 25.354  50.708   0.278    8.46    4      103.1       69.7
   74   2   0  -4 25.373  50.747   0.278    8.44    2      224.4      164.6
   75   0   4   3 25.418  50.835   0.279    8.41    4      103.4       69.6
   76   1   7  -1 25.54   51.08    0.28     8.32    4       10.1        0.7
   77   4   4  -1 25.768  51.536   0.282    8.15    4       87.5       48.3
   78   4   4  -2 25.813  51.627   0.283    8.12    4       53.5       18.0
   79   1   5  -3 26.157  52.314   0.286    7.88    4        3.2        0.1
   80   3   1  -4 26.225  52.45    0.287    7.83    4        5.6        0.2
   81   2   4   2 26.228  52.456   0.287    7.83    4       66.9       27.1
   82   2   2  -4 26.398  52.797   0.289    7.71    4        2.6        0.0
   83   1   1  -4 26.499  52.998   0.29     7.65    4       32.9        6.4
   84   1   3   3 26.652  53.304   0.291    7.55    4       44.9       11.8
   85   2   6   1 26.699  53.398   0.292    7.52    4        7.9        0.4
   86   5   1  -2 27.009  54.018   0.295    7.32    4       52.6       15.7
   87   1   7   1 27.057  54.114   0.295    7.29    4       23.7        3.2
   88   3   5  -3 27.384  54.769   0.299    7.09    4       89.7       44.2
   89   3   1   2 27.544  55.088   0.3      7.0     4       31.6        5.4
   90   5   1  -1 27.704  55.407   0.302    6.91    4       24.0        3.1
   91   4   4   0 27.752  55.504   0.302    6.88    4       22.5        2.7
   92   4   0   1 27.757  55.514   0.302    6.88    2        4.6        0.1
   93   1   7  -2 27.837  55.673   0.303    6.84    4       68.6       24.9
   94   4   4  -3 27.88   55.76    0.304    6.81    4        4.8        0.1
   95   4   0  -4 27.97   55.941   0.304    6.76    2       31.3        2.6
   96   3   3  -4 28.205  56.41    0.307    6.63    4       35.9        6.6
   97   3   5   1 28.244  56.487   0.307    6.61    4      103.1       54.4
   98   5   1  -3 28.301  56.603   0.308    6.58    4       37.9        7.3
   99   0   8   0 28.305  56.61    0.308    6.58    2       80.1       16.4
  100   1   3  -4 28.466  56.932   0.309    6.5     4       37.7        7.2
  101   0   0   4 28.493  56.987   0.31     6.48    2       24.5        1.5
  102   4   2   1 28.723  57.445   0.312    6.37    4       29.5        4.3
  103   2   0   3 28.743  57.487   0.312    6.36    2       41.5        4.2
  104   2   6  -3 28.764  57.528   0.312    6.35    4       24.8        3.0
  105   4   2  -4 28.931  57.863   0.314    6.26    4      100.6       49.1
  106   5   3  -2 28.952  57.905   0.314    6.25    4        2.5        0.0
  107   0   8   1 29.27   58.541   0.317    6.1     4       33.9        5.4
  108   2   4  -4 29.323  58.645   0.318    6.08    4       20.0        1.9
  109   0   2   4 29.443  58.887   0.319    6.02    4      104.1       50.6
  110   3   3   2 29.464  58.928   0.319    6.01    4       13.4        0.8
  111   5   3  -1 29.617  59.234   0.321    5.94    4       29.0        3.9
  112   3   7  -1 29.679  59.358   0.321    5.91    4       16.0        1.2
  113   2   2   3 29.688  59.377   0.321    5.91    4       52.2       12.5
  114   5   3  -3 30.191  60.381   0.326    5.69    4      119.4       62.8
  115   5   1   0 30.295  60.59    0.327    5.65    4       18.1        1.4
  116   0   6   3 30.296  60.591   0.327    5.65    4       62.3       17.0
  117   3   7  -2 30.415  60.83    0.329    5.6     4       28.7        3.6
  118   1   5   3 30.489  60.977   0.329    5.57    4       44.3        8.5
  119   2   8  -1 30.538  61.077   0.33     5.55    4       25.8        2.9
  120   4   6  -1 30.608  61.217   0.331    5.52    4      123.3       65.1
  121   4   6  -2 30.649  61.297   0.331    5.5     4        0.3        0.0
  122   1   7   2 30.664  61.328   0.331    5.5     4       25.7        2.8
  123   3   7   0 30.819  61.638   0.333    5.44    4       17.4        1.3
  124   2   8   0 30.982  61.964   0.334    5.37    4      201.9      169.6
  125   2   6   2 31.02   62.04    0.335    5.36    4       20.3        1.7
  126   5   1  -4 31.421  62.842   0.338    5.21    4       81.4       26.7
  127   4   4   1 31.506  63.013   0.339    5.18    4       35.1        5.0
  128   4   4  -4 31.704  63.408   0.341    5.11    4        5.4        0.1
  129   1   7  -3 31.862  63.724   0.343    5.05    4       79.7       24.8
  130   3   5  -4 31.922  63.843   0.343    5.03    4       16.6        1.1
  131   2   8  -2 31.937  63.874   0.343    5.03    4       44.2        7.6
  132   0   8   2 32.058  64.116   0.345    4.99    4       51.7       10.3
  133   5   3   0 32.112  64.225   0.345    4.97    4       85.7       28.3
  134   1   1   4 32.151  64.302   0.345    4.96    4       89.4       30.7
  135   1   5  -4 32.164  64.328   0.346    4.95    4       37.3        5.3
  136   0   4   4 32.189  64.379   0.346    4.94    4        1.7        0.0
  137   4   6   0 32.398  64.797   0.348    4.87    4       66.9       16.9
  138   2   4   3 32.422  64.844   0.348    4.87    4      138.3       72.1
  139   4   6  -3 32.515  65.03    0.349    4.84    4       68.2       17.4
  140   5   5  -2 32.617  65.234   0.35     4.8     4       65.3       15.9
  141   2   0  -5 32.621  65.243   0.35     4.8     2       43.2        3.5
  142   3   1  -5 32.693  65.386   0.351    4.78    4       34.2        4.3
  143   6   0  -2 32.716  65.432   0.351    4.77    2      171.5       54.4
  144   1   9   0 32.872  65.744   0.352    4.72    4       62.1       14.1
  145   3   7  -3 32.952  65.905   0.353    4.7     4       16.0        0.9
  146   3   5   2 33.095  66.19    0.354    4.66    4       34.3        4.2
  147   1   9  -1 33.105  66.209   0.355    4.65    4       20.3        1.5
  148   5   3  -4 33.204  66.407   0.355    4.62    4        6.7        0.2
  149   6   0  -3 33.22   66.441   0.356    4.62    2       30.3        1.6
  150   2   8   1 33.226  66.452   0.356    4.62    4       10.2        0.4
  151   5   5  -1 33.239  66.477   0.356    4.61    4        3.4        0.0
  152   4   0   2 33.312  66.625   0.356    4.59    2      171.8       52.5
  153   2   2  -5 33.502  67.004   0.358    4.54    4        3.6        0.0
  154   4   0  -5 33.581  67.162   0.359    4.51    2      104.4       19.0
  155   6   2  -2 33.595  67.191   0.359    4.51    4        3.5        0.0
  156   3   7   1 33.725  67.449   0.36     4.47    4       36.3        4.6
  157   5   5  -3 33.777  67.554   0.361    4.46    4       76.4       20.2
  158   2   6  -4 33.839  67.678   0.361    4.44    4       94.7       30.8
  159   1   3   4 33.913  67.826   0.362    4.42    4       54.3       10.1
  160   6   0  -1 33.989  67.979   0.363    4.4     2       58.8        5.9
  161   6   2  -3 34.093  68.186   0.364    4.37    4       50.7        8.7
  162   4   2   2 34.184  68.368   0.365    4.35    4       19.1        1.2
  163   3   1   3 34.235  68.469   0.365    4.34    4       24.6        2.0
  164   1   1  -5 34.24   68.479   0.365    4.34    4       49.3        8.1
  165   1   9   1 34.409  68.817   0.367    4.29    4        6.9        0.2
  166   3   3  -5 34.441  68.882   0.367    4.28    4       17.4        1.0
  167   4   2  -5 34.449  68.898   0.367    4.28    4       76.9       19.6
  168   5   1   1 34.528  69.056   0.368    4.26    4       20.1        1.3
  169   6   2  -1 34.853  69.706   0.371    4.18    4       86.8       24.4
  170   2   8  -3 35.057  70.113   0.373    4.13    4       43.4        6.0
  171   1   9  -2 35.09   70.179   0.373    4.12    4      121.7       47.3
  172   6   0  -4 35.465  70.929   0.377    4.04    2      116.5       21.2
  173   5   5   0 35.595  71.19    0.378    4.01    4       42.6        5.6
  174   1   7   3 35.773  71.546   0.379    3.97    4       44.2        6.0
  175   4   6   1 35.872  71.743   0.38     3.95    4       32.7        3.3
  176   3   3   3 35.947  71.893   0.381    3.93    4       12.2        0.5
  177   1   3  -5 35.951  71.903   0.381    3.93    4      125.3       47.8
  178   4   6  -4 36.057  72.115   0.382    3.91    4        9.6        0.3
  179   2   4  -5 36.08   72.16    0.382    3.9     4       74.9       16.9
  180   5   1  -5 36.104  72.209   0.382    3.9     4       66.4       13.3
  181   6   4  -2 36.17   72.341   0.383    3.88    4       38.3        4.4
  182   5   3   1 36.234  72.467   0.384    3.87    4       79.0       18.7
  183   6   2  -4 36.312  72.625   0.384    3.85    4       20.8        1.3
  184   0  10   0 36.349  72.698   0.385    3.85    2       92.6       12.8
  185   2   0   4 36.382  72.764   0.385    3.84    2      120.8       21.7
  186   0   8   3 36.442  72.884   0.386    3.83    4       59.2       10.4
  187   0   6   4 36.514  73.028   0.386    3.81    4       60.4       10.8
  188   0   0   5 36.607  73.214   0.387    3.8     2       51.9        4.0
  189   5   5  -4 36.636  73.273   0.387    3.79    4       29.4        2.5
  190   6   4  -3 36.652  73.305   0.387    3.79    4       29.9        2.6
  191   3   9  -1 36.725  73.451   0.388    3.77    4        7.0        0.1
  192   4   8  -1 36.728  73.455   0.388    3.77    4       53.3        8.3
  193   2   6   3 36.734  73.468   0.388    3.77    4       53.6        8.4
  194   4   4   2 36.74   73.481   0.388    3.77    4       50.4        7.4
  195   4   8  -2 36.764  73.529   0.389    3.76    4      173.9       88.2
  196   6   0   0 36.953  73.905   0.39     3.73    2      112.6       18.3
  197   4   4  -5 36.998  73.995   0.391    3.72    4       86.8       21.7
  198   3   7  -4 37.102  74.205   0.392    3.7     4        4.7        0.1
  199   2   8   2 37.105  74.209   0.392    3.7     4      175.7       88.5
  200   0  10   1 37.199  74.398   0.392    3.68    4        2.6        0.0
  201   2   2   4 37.221  74.443   0.393    3.68    4       26.2        2.0
  202   1   5   4 37.317  74.633   0.394    3.66    4        7.1        0.1
  203   1   7  -4 37.329  74.657   0.394    3.66    4       12.9        0.5
  204   3   9  -2 37.388  74.777   0.394    3.65    4       86.9       21.3
  205   6   4  -1 37.39   74.78    0.394    3.65    4       96.7       26.5
  206   0   2   5 37.444  74.888   0.395    3.64    4       58.1        9.5
  207   1   9   2 37.614  75.228   0.396    3.61    4       37.7        4.0
  208   5   7  -2 37.753  75.505   0.397    3.59    4       53.0        7.8
  209   3   9   0 37.755  75.511   0.397    3.58    4       35.5        3.5
  210   5   3  -5 37.781  75.561   0.398    3.58    4      101.6       28.7
  211   6   2   0 37.787  75.574   0.398    3.58    4       58.9        9.6
  212   3   5  -5 37.824  75.648   0.398    3.57    4      101.5       28.5
  213   3   7   2 38.202  76.404   0.401    3.51    4       55.2        8.3
  214   2  10  -1 38.331  76.662   0.403    3.49    4       25.4        1.7
  215   5   7  -1 38.337  76.674   0.403    3.49    4       27.4        2.0
  216   4   8   0 38.378  76.756   0.403    3.48    4       32.2        2.8
  217   4   8  -3 38.487  76.973   0.404    3.47    4       34.4        3.2
  218   1   9  -3 38.708  77.416   0.406    3.43    4       24.8        1.6
  219   2  10   0 38.731  77.462   0.406    3.43    4        6.2        0.1
  220   6   4  -4 38.812  77.625   0.407    3.42    4       33.5        3.0
  221   5   7  -3 38.845  77.691   0.407    3.41    4        9.3        0.2
  222   3   5   3 39.279  78.558   0.411    3.35    4       65.6       11.2
  223   1   5  -5 39.284  78.567   0.411    3.35    4       44.8        5.2
  224   6   0  -5 39.323  78.646   0.411    3.34    2       89.9       10.5
  225   7   1  -3 39.385  78.769   0.412    3.34    4       19.4        1.0
  226   7   1  -2 39.529  79.059   0.413    3.32    4       38.9        3.9
  227   5   5   1 39.558  79.115   0.413    3.31    4       63.7       10.4
  228   2  10  -2 39.599  79.198   0.414    3.31    4       81.0       16.8
  229   2   4   4 39.702  79.404   0.415    3.29    4       16.6        0.7
  230   0  10   2 39.71   79.42    0.415    3.29    4       64.1       10.5
  231   3   9  -3 39.715  79.431   0.415    3.29    4       22.7        1.3
  232   2   8  -4 39.725  79.45    0.415    3.29    4       36.8        3.5
  233   0   4   5 39.92   79.84    0.417    3.26    4       64.0       10.3
  234   4   0   3 40.094  80.189   0.418    3.24    2       57.4        4.1
  235   6   2  -5 40.142  80.284   0.418    3.24    4       33.1        2.7
  236   5   1   2 40.194  80.388   0.419    3.23    4       36.3        3.3
  237   3   1  -6 40.203  80.406   0.419    3.23    4      109.3       29.9
  238   2   6  -5 40.227  80.454   0.419    3.23    4       67.2       11.3
  239   6   4   0 40.257  80.514   0.419    3.22    4       58.4        8.5
  240   6   6  -2 40.314  80.628   0.42     3.22    4       67.5       11.4
  241   4   0  -6 40.416  80.833   0.421    3.2     2       13.5        0.2
  242   3   9   1 40.435  80.87    0.421    3.2     4        2.3        0.0
  243   1   1   5 40.496  80.993   0.422    3.19    4       53.2        7.0
  244   5   7   0 40.576  81.153   0.422    3.19    4       20.5        1.0
  245   2   0  -6 40.747  81.494   0.424    3.17    2       68.1        5.7
  246   6   6  -3 40.78   81.561   0.424    3.16    4       43.1        4.5
  247   2  10   1 40.785  81.571   0.424    3.16    4       54.5        7.3
  248   4   6   2 40.866  81.731   0.425    3.15    4       49.8        6.1
  249   7   1  -4 40.895  81.789   0.425    3.15    4       57.9        8.2
  250   4   2   3 40.91   81.819   0.425    3.15    4       54.8        7.3
  251   7   3  -3 41.018  82.036   0.426    3.14    4       93.4       21.2
  252   5   5  -5 41.065  82.13    0.426    3.13    4       10.0        0.2
  253   4   6  -5 41.115  82.23    0.427    3.13    4       24.9        1.5
  254   7   3  -2 41.161  82.323   0.427    3.12    4       56.7        7.8
  255   4   2  -6 41.23   82.46    0.428    3.11    4       11.3        0.3
  256   1  11   0 41.272  82.543   0.428    3.11    4        1.4        0.0
  257   7   1  -1 41.324  82.649   0.429    3.1     4        5.7        0.1
  258   6   0   1 41.479  82.957   0.43     3.09    2       54.1        3.5
  259   1  11  -1 41.486  82.972   0.43     3.09    4       37.3        3.3
  260   6   6  -1 41.496  82.992   0.43     3.09    4       14.4        0.5
  261   2   2  -6 41.56   83.119   0.431    3.08    4       16.9        0.7
  262   5   7  -4 41.577  83.154   0.431    3.08    4       58.2        8.1
  263   4   8   1 41.654  83.307   0.431    3.07    4       55.6        7.3
  264   5   3   2 41.82   83.64    0.433    3.06    4       39.4        3.7
  265   3   3  -6 41.829  83.658   0.433    3.05    4       29.4        2.0
  266   4   8  -4 41.831  83.662   0.433    3.05    4      128.1       38.8
  267   3   1   4 41.993  83.985   0.434    3.04    4       41.3        4.0
  268   1   3   5 42.12   84.24    0.435    3.03    4        4.9        0.1
  269   5   1  -6 42.195  84.389   0.436    3.02    4       88.3       18.2
  270   1   7   4 42.235  84.47    0.436    3.02    4       54.0        6.8
  271   0   8   4 42.269  84.539   0.437    3.01    4      131.2       40.2
  272   6   2   1 42.288  84.577   0.437    3.01    4       42.8        4.3
  273   1   9   3 42.369  84.738   0.437    3.01    4       17.2        0.7
  274   2   8   3 42.481  84.961   0.438    3.0     4       18.4        0.8
  275   2  10  -3 42.498  84.996   0.439    2.99    4       62.3        9.0
  276   7   3  -4 42.516  85.031   0.439    2.99    4       42.4        4.2
  277   6   4  -5 42.578  85.155   0.439    2.99    4       39.1        3.5
  278   1  11   1 42.697  85.394   0.44     2.98    4       35.7        2.9
  279   3   7  -5 42.727  85.454   0.44     2.98    4       39.2        3.5
  280   1   1  -6 42.851  85.702   0.441    2.97    4       60.3        8.4
  281   6   6  -4 42.884  85.768   0.442    2.96    4       56.8        7.4
  282   7   3  -1 42.943  85.886   0.442    2.96    4       40.7        3.8
  283   1  11  -2 43.336  86.673   0.445    2.93    4       11.8        0.3
  284   4   4   3 43.338  86.676   0.445    2.93    4      125.5       35.7
  285   3   3   4 43.608  87.216   0.448    2.91    4       20.8        1.0
  286   3   9  -4 43.642  87.285   0.448    2.91    4        7.8        0.1
  287   4   4  -6 43.656  87.312   0.448    2.91    4       35.9        2.9
  288   2   6   4 43.757  87.514   0.449    2.9     4       54.7        6.7
  289   5   3  -6 43.809  87.618   0.449    2.9     4        4.5        0.0
  290   0  10   3 43.814  87.629   0.449    2.9     4       13.2        0.4
  291   1   9  -4 43.861  87.721   0.45     2.89    4       81.3       14.8
  292   0   6   5 43.972  87.944   0.451    2.89    4       24.4        1.3
  293   2   4  -6 43.983  87.966   0.451    2.89    4        2.4        0.0
  294   7   1  -5 44.026  88.053   0.451    2.88    4       15.8        0.6
  295   4  10  -1 44.088  88.176   0.452    2.88    4        7.2        0.1
  296   4  10  -2 44.123  88.246   0.452    2.88    4       14.8        0.5
  297   3   7   3 44.148  88.295   0.452    2.88    4       44.8        4.5
  298   1   7  -5 44.152  88.304   0.452    2.88    4        1.6        0.0
  299   7   5  -3 44.251  88.503   0.453    2.87    4      117.5       30.7
  300   5   9  -2 44.271  88.541   0.453    2.87    4       76.4       13.0
  301   6   6   0 44.304  88.608   0.453    2.87    4       60.9        8.2
  302   7   5  -2 44.393  88.787   0.454    2.86    4       12.2        0.3
  303   5   7   1 44.421  88.842   0.454    2.86    4       41.1        3.7
  304   2  10   2 44.45   88.9     0.455    2.86    4       26.7        1.6
  305   1   3  -6 44.463  88.926   0.455    2.86    4       12.9        0.4
  306   3   9   2 44.707  89.413   0.457    2.84    4       37.3        3.1
  307   6   4   1 44.708  89.416   0.457    2.84    4       77.1       13.1
  308   6   0  -6 44.71   89.421   0.457    2.84    2       10.5        0.1
  309   7   1   0 44.736  89.473   0.457    2.84    4       91.7       18.5
  310   5   9  -1 44.838  89.676   0.458    2.84    4       17.5        0.7
  311   3  11  -1 44.891  89.782   0.458    2.83    4       28.7        1.8


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

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

    1   1   1   0   6.685  13.37   6.61691       36.3      5.5      5.6     5.6
    2   0   2   0   6.808  13.616  6.498         41.1      6.3      6.3     5.6
    3   0   0   1   6.85   13.699  6.45861       14.8      2.3      2.3     5.6
    4   1   1  -1   7.55   15.099  5.86287       45.4      6.9      7.0     5.6
    5   0   2   1   9.681  19.361  4.58079       13.3      2.0      2.0     5.6
    6   2   0  -1  10.522  21.045  4.21794      370.3     56.4     56.7     5.6
    7   1   1   1  11.284  22.569  3.93649      115.4     17.6     17.7     5.6
    8   2   0   0  11.559  23.119  3.84401       29.8      4.5      4.6     5.6
    9   1   3   0  11.777  23.553  3.77409      501.9     76.5     76.7     5.6
   10   1   3  -1  12.298  24.595  3.61648      103.6     15.8     15.8     5.6
   11   2   2  -1  12.575  25.15   3.53794       73.4     11.2     11.2     5.6
   12   1   1  -2  12.844  25.689  3.46498      337.3     51.4     51.5     5.6
   13   2   2   0  13.463  26.927  3.30845      656.1    100.0    100.0     5.6
   14   2   0  -2  13.563  27.125  3.28467      377.7     57.6     57.6     5.6
   15   0   4   0  13.714  27.429  3.249        178.9     27.3     27.3     5.6
   16   0   0   2  13.8    27.599  3.22931      507.5     77.3     77.3     5.6
   17   1   3   1  14.932  29.864  2.98942      393.3     59.9     59.8     5.6
   18   2   2  -2  15.234  30.468  2.93143       50.6      7.7      7.7     5.6
   19   0   4   1  15.39   30.78   2.90245      166.8     25.4     25.3     5.6
   20   0   2   2  15.448  30.896  2.89188       71.8     10.9     10.9     5.6
   21   1   3  -2  16.167  32.333  2.76651      150.1     22.9     22.8     5.6
   22   3   1  -2  17.223  34.446  2.60148      131.1     20.0     19.9     5.7
   23   2   4  -1  17.413  34.827  2.57393      274.0     41.8     41.5     5.7
   24   1   1   2  17.605  35.209  2.54682       67.6     10.3     10.2     5.7
   25   3   1   0  17.84   35.681  2.51426       63.3      9.6      9.6     5.7
   26   2   4   0  18.085  36.169  2.48139       22.4      3.4      3.4     5.7
   27   1   5  -1  18.585  37.169  2.4169        61.7      9.4      9.3     5.7
   28   3   3  -1  18.874  37.748  2.38116       80.2     12.2     12.1     5.7
   29   1   1  -3  19.372  38.744  2.32222       43.1      6.6      6.5     5.7
   30   3   3  -2  19.893  39.785  2.26381       20.6      3.1      3.1     5.7
   31   2   2  -3  20.192  40.383  2.23164        7.5      1.1      1.1     5.7
   32   3   3   0  20.44   40.881  2.20564        7.3      1.1      1.1     5.7
   33   1   5   1  20.496  40.992  2.19989       29.0      4.4      4.4     5.7
   34   0   6   0  20.832  41.663  2.166        175.3     26.7     26.4     5.7
   35   2   4   1  21.271  42.543  2.12323       77.1     11.8     11.6     5.7
   36   4   0  -1  21.37   42.741  2.11386       26.9      4.1      4.0     5.7
   37   4   0  -2  21.422  42.845  2.10897       35.3      5.4      5.3     5.7
   38   2   0   2  21.899  43.798  2.06527       16.1      2.5      2.4     5.7
   39   3   1   1  21.942  43.884  2.06142       21.3      3.2      3.2     5.7
   40   0   6   1  22.03   44.06   2.05359       37.7      5.7      5.7     5.7
   41   4   2  -2  22.581  45.163  2.00597       95.2     14.5     14.3     5.7
   42   2   2   2  23.039  46.077  1.96825       82.5     12.6     12.3     5.7
   43   3   3  -3  23.213  46.426  1.95429       23.0      3.5      3.4     5.7
   44   2   6  -1  23.564  47.128  1.9268         6.6      1.0      1.0     5.7
   45   4   0   0  23.626  47.253  1.922        101.5     15.5     15.2     5.7
   46   4   0  -3  23.77   47.54   1.91104       44.5      6.8      6.7     5.7
   47   2   6   0  24.091  48.183  1.88705       14.0      2.1      2.1     5.7
   48   3   3   1  24.176  48.353  1.88081       13.0      2.0      1.9     5.7
   49   1   1   3  24.586  49.173  1.85135       52.0      7.9      7.8     5.7
   50   4   2   0  24.704  49.408  1.84307       14.8      2.3      2.2     5.7
   51   1   5   2  24.788  49.577  1.8372        14.9      2.3      2.2     5.7
   52   4   2  -3  24.843  49.687  1.8334         9.5      1.4      1.4     5.7
   53   3   5   0  24.967  49.935  1.82486       24.9      3.8      3.7     5.7
   54   2   6  -2  25.213  50.426  1.80824       30.2      4.6      4.5     5.8
   55   2   0  -4  25.373  50.747  1.79756      234.3     35.7     34.9     5.8
   56   0   4   3  25.418  50.835  1.79464       69.6     10.6     10.4     5.8
   57   4   4  -1  25.768  51.536  1.77185       48.3      7.4      7.2     5.8
   58   4   4  -2  25.813  51.627  1.76897       18.0      2.7      2.7     5.8
   59   2   4   2  26.228  52.456  1.74294       27.1      4.1      4.0     5.8
   60   1   3   3  26.652  53.304  1.7172        11.8      1.8      1.8     5.8
   61   5   1  -2  27.009  54.018  1.69618       15.7      2.4      2.3     5.8
   62   3   5  -3  27.384  54.769  1.67468       44.2      6.7      6.6     5.8
   63   1   7  -2  27.837  55.673  1.6496        24.9      3.8      3.7     5.8
   64   3   3  -4  28.205  56.41   1.62978        6.6      1.0      1.0     5.8
   65   3   5   1  28.244  56.487  1.62774       54.4      8.3      8.0     5.8
   66   0   8   0  28.305  56.61   1.6245        23.7      3.6      3.5     5.8
   67   1   3  -4  28.466  56.932  1.61608        8.7      1.3      1.3     5.8
   68   4   2   1  28.723  57.445  1.60285        8.5      1.3      1.3     5.8
   69   4   2  -4  28.931  57.863  1.59227       49.2      7.5      7.3     5.8
   70   0   2   4  29.443  58.887  1.567         51.4      7.8      7.6     5.8
   71   2   2   3  29.688  59.377  1.55523       13.6      2.1      2.0     5.8
   72   5   3  -3  30.191  60.381  1.53175       62.8      9.6      9.2     5.8
   73   0   6   3  30.296  60.591  1.52693       18.4      2.8      2.7     5.8
   74   1   5   3  30.489  60.977  1.51819        8.5      1.3      1.2     5.8
   75   4   6  -1  30.608  61.217  1.51282       65.1      9.9      9.5     5.8
   76   2   8   0  30.982  61.964  1.49636      169.6     25.9     24.9     5.8
   77   5   1  -4  31.421  62.842  1.47755       26.7      4.1      3.9     5.9
   78   1   7  -3  31.862  63.724  1.45922       24.8      3.8      3.6     5.9
   79   2   8  -2  31.937  63.874  1.45615        8.7      1.3      1.3     5.9
   80   0   8   2  32.058  64.116  1.45122       10.3      1.6      1.5     5.9
   81   5   3   0  32.112  64.225  1.44903       28.3      4.3      4.1     5.9
   82   1   1   4  32.151  64.302  1.44747       36.0      5.5      5.3     5.9
   83   2   4   3  32.422  64.844  1.43668       89.0     13.6     13.0     5.9
   84   4   6  -3  32.515  65.03   1.43302       17.4      2.7      2.5     5.9
   85   5   5  -2  32.617  65.234  1.42904       19.3      2.9      2.8     5.9
   86   6   0  -2  32.716  65.432  1.42519       58.7      8.9      8.6     5.9
   87   1   9   0  32.872  65.744  1.41918       14.1      2.2      2.1     5.9
   88   4   0   2  33.312  66.625  1.40254       52.5      8.0      7.6     5.9
   89   4   0  -5  33.581  67.162  1.39263       19.1      2.9      2.8     5.9
   90   5   5  -3  33.777  67.554  1.38549       20.2      3.1      2.9     5.9
   91   2   6  -4  33.839  67.678  1.38326       30.8      4.7      4.5     5.9
   92   1   3   4  33.913  67.826  1.38059       10.1      1.5      1.5     5.9
   93   6   2  -3  34.093  68.186  1.37418        8.7      1.3      1.3     5.9
   94   1   1  -5  34.24   68.479  1.36901       10.2      1.6      1.5     5.9
   95   4   2  -5  34.449  68.898  1.3617        20.6      3.1      3.0     5.9
   96   6   2  -1  34.853  69.706  1.34789       24.4      3.7      3.5     5.9
   97   1   9  -2  35.09   70.179  1.33995       47.3      7.2      6.8     5.9
   98   6   0  -4  35.465  70.929  1.32761       21.2      3.2      3.1     5.9
   99   1   3  -5  35.951  71.903  1.31201       47.8      7.3      6.9     5.9
  100   2   4  -5  36.08   72.16   1.30797       30.3      4.6      4.4     5.9
  101   5   3   1  36.234  72.467  1.30318       18.7      2.9      2.7     5.9
  102   0  10   0  36.349  72.698  1.2996        12.8      1.9      1.8     6.0
  103   2   0   4  36.382  72.764  1.29859       21.7      3.3      3.1     6.0
  104   0   8   3  36.442  72.884  1.29675       10.4      1.6      1.5     6.0
  105   0   6   4  36.514  73.028  1.29454       10.8      1.6      1.6     6.0
  106   2   6   3  36.734  73.468  1.28788       24.1      3.7      3.5     6.0
  107   4   8  -2  36.764  73.529  1.28696       88.2     13.4     12.7     6.0
  108   6   0   0  36.953  73.905  1.28134       18.3      2.8      2.6     6.0
  109   4   4  -5  36.998  73.995  1.28          21.7      3.3      3.1     6.0
  110   2   8   2  37.105  74.209  1.27684       88.5     13.5     12.7     6.0
  111   6   4  -1  37.39   74.78   1.2685        47.8      7.3      6.9     6.0
  112   0   2   5  37.444  74.888  1.26693        9.5      1.5      1.4     6.0
  113   5   3  -5  37.781  75.561  1.25731       49.6      7.6      7.1     6.0
  114   3   5  -5  37.824  75.648  1.25609       28.5      4.3      4.1     6.0
  115   3   7   2  38.202  76.404  1.24553        8.3      1.3      1.2     6.0
  116   3   5   3  39.279  78.558  1.21669       16.4      2.5      2.3     6.0
  117   6   0  -5  39.323  78.646  1.21554       10.5      1.6      1.5     6.0
  118   5   5   1  39.558  79.115  1.20951       14.3      2.2      2.0     6.0
  119   2  10  -2  39.599  79.198  1.20845       16.8      2.6      2.4     6.0
  120   0  10   2  39.71   79.42   1.20563       15.2      2.3      2.2     6.0
  121   0   4   5  39.92   79.84   1.20034       10.3      1.6      1.5     6.0
  122   3   1  -6  40.203  80.406  1.19331       53.0      8.1      7.5     6.0
  123   6   6  -2  40.314  80.628  1.19058       11.4      1.7      1.6     6.1
  124   1   1   5  40.496  80.993  1.18614        7.0      1.1      1.0     6.1
  125   2  10   1  40.785  81.571  1.17919       11.8      1.8      1.7     6.1
  126   7   1  -4  40.895  81.789  1.1766        21.6      3.3      3.0     6.1
  127   7   3  -3  41.018  82.036  1.17368       21.2      3.2      3.0     6.1
  128   7   3  -2  41.161  82.323  1.17031        7.8      1.2      1.1     6.1
  129   6   0   1  41.479  82.957  1.16297        7.3      1.1      1.0     6.1
  130   5   7  -4  41.577  83.154  1.16071        8.1      1.2      1.1     6.1
  131   4   8   1  41.654  83.307  1.15897        7.3      1.1      1.0     6.1
  132   4   8  -4  41.831  83.662  1.15495       44.5      6.8      6.3     6.1
  133   5   1  -6  42.195  84.389  1.14684       18.2      2.8      2.6     6.1
  134   1   7   4  42.235  84.47   1.14596        6.8      1.0      1.0     6.1
  135   0   8   4  42.269  84.539  1.1452        44.5      6.8      6.2     6.1
  136   2  10  -3  42.498  84.996  1.14021       13.2      2.0      1.8     6.1
  137   1   1  -6  42.851  85.702  1.13261        8.4      1.3      1.2     6.1
  138   6   6  -4  42.884  85.768  1.13191        7.4      1.1      1.0     6.1
  139   4   4   3  43.338  86.676  1.12237       35.7      5.4      5.0     6.1
  140   2   6   4  43.757  87.514  1.11376        6.7      1.0      0.9     6.2
  141   1   9  -4  43.861  87.721  1.11167       14.8      2.3      2.1     6.2
  142   7   5  -3  44.251  88.503  1.10386       43.7      6.7      6.1     6.2
  143   6   6   0  44.304  88.608  1.10282        8.2      1.3      1.1     6.2
  144   7   1   0  44.736  89.473  1.09439       34.8      5.3      4.8     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)