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       ***
                  ***********************
REINERITE

1, f-leiteite

Zn(3)[AsO(3)](2)


Orthorhombic  P bam  Z = 4

Pbam

23 .5 .1988

Ref.Str.:

         Ghose S., Boving P., La Chapelle W.A., Che'nd Wan (1977)

         * Amer. Mineral., 62, 1129-1134

                   Initial data from BDM-file 

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

             a =   6.092    alpha =   90.0 
             b =  14.407    beta  =   90.0 
             c =   7.811    gamma =   90.0 

    Unit cell volume (cub. angs.) =   685.55

    Molar volume ( cub.cm/mol.) =   103.23

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

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

   1 0.0     0.5     0.3145   0.0    Zn    = 1.00
   2 0.5649  0.7791  0.7843   0.0    Zn    = 1.00
   3 0.9131  0.8744  0.5      0.0    As    = 1.00
   4 0.2231  0.9013  0.0      0.0    As    = 1.00
   5 0.3304  0.0608  0.5      0.0    O     = 1.00
   6 0.3349  0.2807  0.0      0.0    O     = 1.00
   7 0.1519  0.1997  0.3262   0.0    O     = 1.00
   8 0.0904  0.3965  0.1736   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.5        0.3145
     2       2     0.5649     0.7791     0.7843
     3       3     0.9131     0.8744     0.5   
     4       4     0.2231     0.9013     0.0   
     5       5     0.3304     0.0608     0.5   
     6       6     0.3349     0.2807     0.0   
     7       7     0.1519     0.1997     0.3262
     8       8     0.0904     0.3965     0.1736
     9       2     0.4351     0.2209     0.7843
    10       3     0.0869     0.1256     0.5   
    11       4     0.7769     0.0987     0.0   
    12       5     0.6696     0.9392     0.5   
    13       6     0.6651     0.7193     0.0   
    14       7     0.8481     0.8003     0.3262
    15       8     0.9096     0.6035     0.1736
    16       1     0.5        0.0        0.3145
    17       2     0.9351     0.2791     0.7843
    18       3     0.5869     0.3744     0.5   
    19       4     0.2769     0.4013     0.0   
    20       5     0.1696     0.5608     0.5   
    21       6     0.1651     0.7807     0.0   
    22       7     0.3481     0.6997     0.3262
    23       8     0.4096     0.8965     0.1736
    24       2     0.0649     0.7209     0.7843
    25       3     0.4131     0.6256     0.5   
    26       4     0.7231     0.5987     0.0   
    27       5     0.8304     0.4392     0.5   
    28       6     0.8349     0.2193     0.0   
    29       7     0.6519     0.3003     0.3262
    30       8     0.5904     0.1035     0.1736
    31       1     0.0        0.5        0.6855
    32       2     0.5649     0.7791     0.2157
    33       7     0.1519     0.1997     0.6738
    34       8     0.0904     0.3965     0.8264
    35       2     0.4351     0.2209     0.2157
    36       7     0.8481     0.8003     0.6738
    37       8     0.9096     0.6035     0.8264
    38       1     0.5        0.0        0.6855
    39       2     0.9351     0.2791     0.2157
    40       7     0.3481     0.6997     0.6738
    41       8     0.4096     0.8965     0.8264
    42       2     0.0649     0.7209     0.2157
    43       7     0.6519     0.3003     0.6738
    44       8     0.5904     0.1035     0.8264


X-ray density (g/cm cub.)   =      4.28

MU (1/cm) =     246.288    Mass attenuation coefficient (cm**2/g) =     57.533

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

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

    1    Zn                  2.628        4
                                                 1.9334       8
                                                 1.9334       8
                                                 1.9835       5
                                                 1.9835       5
    2    Zn                  2.628        4
                                                 1.9883       6
                                                 1.9531       7
                                                 1.9488       7
                                                 1.9657       8
    3    As                  2.46         3
                                                 1.7527       5
                                                 1.7718       7
                                                 1.7718       7
    4    As                  2.46         3
                                                 1.773        6
                                                 1.7704       8
                                                 1.7704       8
    5    O                   3.264        5
                                                 2.6514       7
                                                 2.7091       5
                                                 3.0639       8
                                                 2.6514       7
                                                 3.0639       8
    6    O                   3.264        8
                                                 3.0161       7
                                                 2.6155       8
                                                 3.1718       6
                                                 3.1718       6
                                                 3.2095       7
                                                 3.0161       7
                                                 2.6155       8
                                                 3.2095       7
    7    O                   3.264        6
                                                 2.6514       5
                                                 3.0161       6
                                                 3.0984       8
                                                 3.2095       6
                                                 3.2369       8
                                                 2.7151       7
    8    O                   3.264        6
                                                 2.6155       6
                                                 3.0984       7
                                                 3.1791       8
                                                 3.0639       5
                                                 3.2369       7
                                                 2.712        8

  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   0   0   1  5.659  11.319   0.064  202.69    2        3.7        1.2
    2   0   2   0  6.138  12.277   0.069  171.94    2       95.3      664.5
    3   1   1   0  7.891  15.781   0.089  103.18    4       93.7      770.8
    4   0   2   1  8.364  16.728   0.094   91.58    4       64.2      320.9
    5   1   2   0  9.532  19.064   0.107   70.01    4       12.6        9.5
    6   1   1   1  9.731  19.463   0.11    67.08    8       27.4       85.5
    7   1   2   1 11.112  22.225   0.125   50.94    8      210.1     3827.7
    8   0   0   2 11.375  22.75    0.128   48.52    2       35.9       26.7
    9   1   3   0 11.785  23.57    0.133   45.06    4       99.9      382.5
   10   0   4   0 12.349  24.698   0.139   40.86    2       39.8       27.5
   11   0   2   2 12.965  25.93    0.146   36.88    4      145.4      663.4
   12   1   3   1 13.109  26.218   0.147   36.03    8      137.7     1162.0
   13   0   4   1 13.621  27.243   0.153   33.22    4        5.2        0.8
   14   1   1   2 13.904  27.809   0.156   31.8     8      181.8     1789.0
   15   1   4   0 14.385  28.771   0.161   29.58    4      132.9      444.6
   16   2   0   0 14.648  29.296   0.164   28.46    2      155.0      290.8
   17   1   2   2 14.923  29.847   0.167   27.34    8       60.5      170.4
   18   2   1   0 14.979  29.959   0.168   27.13    4       47.5       52.1
   19   1   4   1 15.504  31.007   0.174   25.19    8       69.0      204.0
   20   2   0   1 15.749  31.499   0.176   24.36    4      138.5      397.8
   21   2   2   0 15.936  31.872   0.178   23.74    4       38.7       30.3
   22   2   1   1 16.06   32.12    0.18    23.35    8      135.2      726.3
   23   1   3   2 16.495  32.989   0.184   22.04    8       92.0      317.5
   24   0   4   2 16.913  33.827   0.189   20.87    4      339.5     2047.1
   25   2   2   1 16.962  33.924   0.189   20.74    8       76.6      206.9
   26   1   5   0 17.201  34.402   0.192   20.12    4      224.0      858.8
   27   0   0   3 17.208  34.416   0.192   20.1     2       24.6        5.2
   28   2   3   0 17.425  34.85    0.194   19.56    4      157.1      410.8
   29   1   5   1 18.164  36.327   0.202   17.86    8       61.4      114.8
   30   0   2   3 18.335  36.67    0.204   17.49    4      134.5      269.4
   31   2   3   1 18.378  36.755   0.205   17.41    8        7.7        1.7
   32   1   4   2 18.494  36.989   0.206   17.16    8       41.8       51.2
   33   2   0   2 18.705  37.411   0.208   16.74    4      246.0      862.1
   34   0   6   0 18.711  37.422   0.208   16.73    2      114.7       93.7
   35   2   1   2 18.973  37.947   0.211   16.22    8       97.0      260.0
   36   1   1   3 19.035  38.07    0.212   16.11    8       62.7      107.9
   37   2   4   0 19.341  38.682   0.215   15.55    4      178.9      423.4
   38   0   6   1 19.61   39.219   0.218   15.08    4      151.5      294.6
   39   2   2   2 19.759  39.517   0.219   14.83    8        3.4        0.3
   40   1   2   3 19.818  39.636   0.22    14.73    8      134.6      454.0
   41   1   6   0 20.17   40.341   0.224   14.17    4      109.1      143.5
   42   2   4   1 20.216  40.432   0.224   14.09    8       89.9      194.1
   43   1   5   2 20.822  41.643   0.231   13.2     8       78.5      138.6
   44   2   3   2 21.013  42.025   0.233   12.93    8       75.6      125.9
   45   1   6   1 21.017  42.033   0.233   12.92    8       77.4      131.7
   46   1   3   3 21.069  42.139   0.233   12.85    8      109.5      262.1
   47   0   4   3 21.411  42.821   0.237   12.4     4       83.8       74.1
   48   2   5   0 21.591  43.183   0.239   12.16    4      168.3      293.1
   49   0   6   2 22.122  44.243   0.244   11.52    4       76.9       57.9
   50   2   5   1 22.394  44.788   0.247   11.21    8       47.1       42.3
   51   3   1   0 22.524  45.048   0.249   11.06    4      128.8      156.1
   52   2   4   2 22.673  45.346   0.25    10.9     8      105.3      205.6
   53   1   4   3 22.726  45.452   0.251   10.84    8       53.8       53.3
   54   2   0   3 22.904  45.809   0.253   10.65    4      149.4      202.4
   55   2   1   3 23.132  46.264   0.255   10.41    8        2.2        0.1
   56   3   2   0 23.21   46.421   0.256   10.33    4      193.7      330.1
   57   0   0   4 23.232  46.464   0.256   10.31    2      301.2      398.2
   58   1   7   0 23.269  46.537   0.256   10.28    4      100.8       88.9
   59   3   1   1 23.301  46.602   0.257   10.24    8       16.0        4.5
   60   1   6   2 23.405  46.811   0.258   10.14    8       78.4      106.0
   61   2   2   3 23.805  47.609   0.262    9.76    8      133.3      295.4
   62   3   2   1 23.97   47.94    0.264    9.61    8       22.6        8.4
   63   1   7   1 24.027  48.054   0.264    9.56    8        6.6        0.7
   64   2   6   0 24.11   48.219   0.265    9.48    4       98.6       78.4
   65   0   2   4 24.123  48.246   0.265    9.47    4       71.1       40.8
   66   3   3   0 24.321  48.641   0.267    9.29    4        9.3        0.7
   67   2   5   2 24.677  49.355   0.271    8.99    8       15.5        3.7
   68   1   1   4 24.687  49.374   0.271    8.98    8       53.3       43.5
   69   1   5   3 24.727  49.455   0.272    8.95    8       28.9       12.7
   70   2   6   1 24.848  49.697   0.273    8.85    8       21.9        7.2
   71   2   3   3 24.895  49.789   0.273    8.81    8      167.6      421.6
   72   3   3   1 25.055  50.109   0.275    8.69    8       34.5       17.6
   73   0   8   0 25.323  50.647   0.278    8.48    2      179.2      115.9
   74   1   2   4 25.329  50.657   0.278    8.47    8       16.9        4.1
   75   3   1   2 25.522  51.045   0.28     8.33    8       40.9       23.7
   76   3   4   0 25.814  51.629   0.283    8.12    4       80.3       44.5
   77   0   6   3 25.874  51.747   0.283    8.07    4       81.4       45.5
   78   0   8   1 26.037  52.073   0.285    7.96    4       55.9       21.2
   79   3   2   2 26.149  52.298   0.286    7.88    8      128.9      223.0
   80   1   7   2 26.202  52.404   0.287    7.84    8       16.2        3.5
   81   2   4   3 26.365  52.73    0.288    7.73    8      135.3      240.9
   82   1   3   4 26.372  52.744   0.288    7.73    8       12.1        1.9
   83   1   8   0 26.489  52.978   0.29     7.65    4       40.5       10.7
   84   3   4   1 26.518  53.037   0.29     7.63    8       25.1        8.2
   85   0   4   4 26.661  53.321   0.291    7.54    4       66.8       28.6
   86   2   7   0 26.852  53.704   0.293    7.42    4        8.6        0.5
   87   2   6   2 26.975  53.95    0.294    7.34    8       78.0       76.0
   88   1   6   3 27.022  54.044   0.295    7.31    8       49.0       29.9
   89   3   3   2 27.17   54.34    0.296    7.22    8       46.5       26.6
   90   1   8   1 27.18   54.361   0.297    7.22    8       96.9      115.4
   91   2   7   1 27.537  55.075   0.3      7.01    8       74.0       65.4
   92   3   5   0 27.649  55.299   0.301    6.94    4      126.5       94.6
   93   1   4   4 27.787  55.573   0.303    6.86    8       43.4       22.1
   94   2   0   4 27.941  55.882   0.304    6.78    4        4.6        0.1
   95   0   8   2 28.1    56.199   0.306    6.69    4       31.2        5.5
   96   2   1   4 28.138  56.276   0.306    6.67    8       67.9       52.3
   97   2   5   3 28.175  56.35    0.306    6.65    8      102.2      118.3
   98   3   5   1 28.322  56.643   0.308    6.57    8       63.2       44.7
   99   3   4   2 28.558  57.115   0.31     6.45    8      144.1      228.0
  100   2   2   4 28.725  57.45    0.312    6.37    8       95.8       99.4
  101   3   1   3 28.948  57.896   0.314    6.26    8      124.4      164.9
  102   1   8   2 29.188  58.377   0.317    6.14    8      150.3      236.2
  103   3   2   3 29.524  59.049   0.32     5.98    8        9.5        0.9
  104   2   7   2 29.529  59.059   0.32     5.98    8       50.6       26.1
  105   1   5   4 29.538  59.076   0.32     5.98    8      136.4      189.4
  106   0   0   5 29.543  59.086   0.32     5.98    2       63.6       10.3
  107   1   7   3 29.574  59.147   0.32     5.96    8      237.6      573.1
  108   2   3   4 29.686  59.373   0.321    5.91    8       81.3       66.5
  109   3   6   0 29.788  59.575   0.322    5.87    4       26.7        3.6
  110   2   8   0 29.794  59.589   0.323    5.86    4      126.0       79.2
  111   1   9   0 29.836  59.673   0.323    5.84    4      151.4      114.1
  112   3   5   2 30.28   60.561   0.327    5.65    8      131.9      167.5
  113   2   6   3 30.289  60.578   0.327    5.65    8      164.4      260.1
  114   0   2   5 30.301  60.601   0.328    5.65    4      160.3      123.4
  115   4   0   0 30.382  60.764   0.328    5.61    2       23.2        1.3
  116   3   6   1 30.43   60.859   0.329    5.59    8       75.4       54.1
  117   2   8   1 30.436  60.873   0.329    5.59    8       93.3       82.9
  118   3   3   3 30.47   60.94    0.329    5.58    8       49.1       22.9
  119   1   9   1 30.478  60.956   0.329    5.57    8       50.2       23.9
  120   0   6   4 30.56   61.119   0.33     5.54    4      126.2       75.1
  121   4   1   0 30.569  61.139   0.33     5.54    4       50.0       11.8
  122   1   1   5 30.786  61.571   0.332    5.45    8        4.1        0.2
  123   2   4   4 31.001  62.003   0.334    5.37    8       66.8       40.8
  124   4   0   1 31.017  62.034   0.334    5.36    4       82.3       30.9
  125   4   2   0 31.128  62.255   0.336    5.32    4      117.2       62.2
  126   4   1   1 31.202  62.404   0.336    5.29    8       26.2        6.2
  127   0   8   3 31.337  62.674   0.338    5.24    4       26.9        3.2
  128   1   2   5 31.342  62.683   0.338    5.24    8      135.3      163.3
  129   1   6   4 31.596  63.191   0.34     5.15    8       21.1        3.9
  130   4   2   1 31.754  63.507   0.342    5.09    8        4.9        0.2
  131   3   4   3 31.766  63.532   0.342    5.09    8      107.0       99.2
  132   4   3   0 32.045  64.091   0.344    4.99    4      248.2      261.6
  133   3   7   0 32.2    64.4     0.346    4.94    4        8.6        0.3
  134   1   3   5 32.256  64.512   0.346    4.92    8      182.1      277.8
  135   3   6   2 32.31   64.621   0.347    4.9     8      243.0      492.8
  136   2   8   2 32.317  64.634   0.347    4.9     8       39.6       13.1
  137   0  10   0 32.321  64.641   0.347    4.9     2      234.1      114.3
  138   1   9   2 32.357  64.714   0.347    4.89    8      246.2      504.4
  139   1   8   3 32.359  64.718   0.347    4.89    8       94.1       73.6
  140   0   4   5 32.511  65.021   0.349    4.84    4       33.2        4.5
  141   2   5   4 32.647  65.293   0.35     4.79    8      110.4       99.5
  142   4   3   1 32.662  65.323   0.35     4.79    8       10.5        0.9
  143   2   7   3 32.68   65.36    0.35     4.78    8      105.8       91.2
  144   3   7   1 32.815  65.629   0.352    4.74    8       71.3       41.0
  145   4   0   2 32.879  65.757   0.352    4.72    4       14.4        0.8
  146   2   9   0 32.929  65.857   0.353    4.71    4       46.5        8.7
  147   0  10   1 32.934  65.868   0.353    4.7     4       79.0       25.0
  148   4   1   2 33.058  66.116   0.354    4.67    8      217.8      376.8
  149   4   4   0 33.307  66.614   0.356    4.59    4       62.8       15.4
  150   1  10   0 33.326  66.652   0.357    4.59    4       78.3       23.9
  151   3   1   4 33.357  66.714   0.357    4.58    8       25.5        5.1
  152   3   5   3 33.39   66.781   0.357    4.57    8       36.6       10.4
  153   1   4   5 33.513  67.026   0.358    4.53    8       74.1       42.3
  154   2   9   1 33.536  67.073   0.359    4.53    8       27.9        6.0
  155   4   2   2 33.593  67.186   0.359    4.51    8       38.5       11.4
  156   2   0   5 33.652  67.303   0.36     4.49    4       76.0       22.1
  157   2   1   5 33.829  67.658   0.361    4.45    8      165.5      207.1
  158   3   2   4 33.89   67.78    0.362    4.43    8      181.5      248.3
  159   4   4   1 33.911  67.822   0.362    4.42    8      117.8      104.4
  160   1  10   1 33.93   67.861   0.362    4.42    8       28.4        6.1
  161   1   7   4 33.936  67.871   0.362    4.42    8      127.9      123.0
  162   2   2   5 34.358  68.716   0.366    4.3     8      152.5      170.4
  163   4   3   2 34.476  68.952   0.367    4.27    8       27.2        5.4
  164   2   6   4 34.601  69.201   0.369    4.24    8       43.2       13.5
  165   3   7   2 34.625  69.25    0.369    4.24    8        6.1        0.3
  166   0  10   2 34.742  69.483   0.37     4.21    4       38.1        5.2
  167   3   3   4 34.769  69.539   0.37     4.2     8       39.7       11.3
  168   3   8   0 34.869  69.737   0.371    4.18    4      169.9      102.6
  169   4   5   0 34.895  69.789   0.371    4.17    4      110.1       43.0
  170   1   5   5 35.097  70.193   0.373    4.12    8       15.6        1.7
  171   2   3   5 35.232  70.464   0.374    4.09    8       44.4       13.7
  172   3   6   3 35.324  70.649   0.375    4.07    8       37.4        9.7
  173   2   9   2 35.329  70.658   0.375    4.07    8       85.0       50.1
  174   2   8   3 35.331  70.661   0.375    4.07    8        2.8        0.1
  175   1   9   3 35.369  70.738   0.376    4.06    8        0.4        0.0
  176   3   8   1 35.46   70.921   0.377    4.04    8       81.7       45.9
  177   4   5   1 35.486  70.972   0.377    4.03    8       24.6        4.1
  178   0   8   4 35.581  71.161   0.378    4.01    4       92.9       29.5
  179   4   4   2 35.695  71.39    0.379    3.99    8       53.2       19.2
  180   1  10   2 35.714  71.427   0.379    3.98    8       15.2        1.6
  181   4   0   3 35.869  71.738   0.38     3.95    4      166.4       93.1
  182   3   4   4 35.984  71.967   0.381    3.92    8        7.1        0.3
  183   0   6   5 36.032  72.065   0.382    3.91    4      192.7      123.7
  184   4   1   3 36.042  72.083   0.382    3.91    8       40.2       10.8
  185   2  10   0 36.26   72.519   0.384    3.87    4       19.8        1.3
  186   0   0   6 36.277  72.554   0.384    3.86    2      242.3       96.5
  187   2   4   5 36.44   72.879   0.386    3.83    8       83.8       45.8
  188   1   8   4 36.543  73.086   0.387    3.81    8       52.7       18.0
  189   4   2   3 36.556  73.113   0.387    3.81    8      106.0       72.8
  190   4   6   0 36.793  73.585   0.389    3.76    4       29.4        2.8
  191   2  10   1 36.842  73.684   0.389    3.75    8       89.7       51.4
  192   2   7   4 36.847  73.694   0.389    3.75    8        4.9        0.2
  193   0   2   6 36.961  73.922   0.39     3.73    4       90.4       25.9
  194   1  11   0 36.982  73.964   0.39     3.72    4        5.6        0.1
  195   1   6   5 36.99   73.981   0.391    3.72    8       95.5       57.8
  196   3   8   2 37.212  74.423   0.393    3.68    8       37.2        8.7
  197   4   5   2 37.237  74.474   0.393    3.68    8       46.1       13.3
  198   4   6   1 37.372  74.744   0.394    3.65    8       65.6       26.7
  199   1   1   6 37.402  74.804   0.394    3.65    8        3.0        0.1
  200   4   3   3 37.409  74.817   0.394    3.65    8       91.1       51.5
  201   3   5   4 37.521  75.043   0.395    3.63    8       15.8        1.5
  202   3   7   3 37.553  75.106   0.396    3.62    8       25.4        4.0
  203   1  11   1 37.56   75.12    0.396    3.62    8       89.5       49.4
  204   0  10   3 37.665  75.331   0.397    3.6     4      132.6       53.9
  205   3   9   0 37.787  75.574   0.398    3.58    4      166.0       83.9
  206   1   2   6 37.91   75.82    0.399    3.56    8       33.4        6.8
  207   2   5   5 37.97   75.941   0.399    3.55    8        0.5        0.0
  208   2   9   3 38.235  76.469   0.402    3.51    8       50.5       15.2
  209   3   9   1 38.361  76.721   0.403    3.49    8        4.4        0.1
  210   2  10   2 38.57   77.139   0.405    3.45    8      132.5      103.2
  211   4   4   3 38.59   77.18    0.405    3.45    8       49.7       14.5
  212   1  10   3 38.608  77.217   0.405    3.45    8       62.2       22.7
  213   3   1   5 38.638  77.275   0.405    3.44    8       16.7        1.6
  214   1   3   6 38.752  77.504   0.406    3.43    8      122.1       86.9
  215   0   4   6 38.988  77.975   0.408    3.39    4      114.3       37.7
  216   4   7   0 38.99   77.979   0.408    3.39    4       73.5       15.6
  217   4   6   2 39.091  78.183   0.409    3.38    8       92.1       48.8
  218   3   2   5 39.14   78.281   0.41     3.37    8        6.5        0.2
  219   1   7   5 39.184  78.367   0.41     3.36    8      100.2       57.5
  220   1  11   2 39.277  78.554   0.411    3.35    8       84.0       40.3
  221   3   6   4 39.371  78.743   0.412    3.34    8       49.7       14.0
  222   2   8   4 39.377  78.755   0.412    3.34    8       22.0        2.7
  223   5   1   0 39.38   78.76    0.412    3.34    4       41.3        4.8
  224   1   9   4 39.414  78.829   0.412    3.33    8        1.9        0.0
  225   4   7   1 39.558  79.116   0.413    3.31    8        5.1        0.1
  226   2  11   0 39.806  79.611   0.416    3.28    4       33.9        3.2
  227   2   6   5 39.814  79.628   0.416    3.28    8       36.9        7.6
  228   5   2   0 39.88   79.761   0.416    3.27    4        0.7        0.0
  229   4   0   4 39.896  79.793   0.416    3.27    4        7.1        0.1
  230   0  12   0 39.91   79.821   0.416    3.27    2       80.8        9.1
  231   1   4   6 39.921  79.842   0.417    3.26    8       42.4       10.0
  232   5   1   1 39.947  79.894   0.417    3.26    8      133.2       98.5
  233   3   3   5 39.974  79.949   0.417    3.26    8       69.1       26.5
  234   2   0   6 40.051  80.101   0.418    3.25    4       21.6        1.3
  235   4   1   4 40.063  80.126   0.418    3.25    8        5.3        0.2
  236   3   9   2 40.067  80.134   0.418    3.25    8       29.0        4.6
  237   3   8   3 40.069  80.138   0.418    3.25    8       18.6        1.9
  238   4   5   3 40.094  80.187   0.418    3.24    8       87.4       42.2
  239   2   1   6 40.217  80.433   0.419    3.23    8       74.5       30.5
  240   2  11   1 40.371  80.742   0.42     3.21    8       80.0       35.0
  241   5   2   1 40.446  80.891   0.421    3.2     8       52.7       15.1
  242   0  12   1 40.475  80.951   0.421    3.2     4       65.1       11.5
  243   4   2   4 40.561  81.122   0.422    3.19    8       18.6        1.9
  244   5   3   0 40.71   81.421   0.423    3.17    4       71.8       13.9
  245   2   2   6 40.714  81.429   0.423    3.17    8       53.8       15.6
  246   0   8   5 40.749  81.497   0.424    3.17    4       65.4       11.5
  247   1  12   0 40.838  81.677   0.424    3.16    4      109.4       32.1
  248   3  10   0 40.961  81.923   0.426    3.14    4      171.2       78.3
  249   3   4   5 41.135  82.27    0.427    3.12    8       29.6        4.7
  250   4   7   2 41.252  82.504   0.428    3.11    8       96.2       49.0
  251   5   3   1 41.273  82.546   0.428    3.11    8       48.1       12.2
  252   4   3   4 41.388  82.776   0.429    3.1     8      143.1      108.0
  253   2  10   3 41.4    82.8     0.429    3.1     8       45.9       11.1
  254   1  12   1 41.401  82.802   0.429    3.1     8       65.0       22.3
  255   1   5   6 41.412  82.825   0.429    3.09    8       38.5        7.8
  256   4   8   0 41.482  82.963   0.43     3.09    4       43.7        5.0
  257   3  10   1 41.523  83.047   0.43     3.08    8       56.1       16.5
  258   3   7   4 41.528  83.057   0.43     3.08    8       32.7        5.6
  259   2   3   6 41.541  83.082   0.43     3.08    8        7.3        0.3
  260   5   1   2 41.637  83.274   0.431    3.07    8       14.4        1.1
  261   0  10   4 41.638  83.276   0.431    3.07    4       65.3       11.1
  262   1   8   5 41.673  83.345   0.432    3.07    8       49.0       12.5
  263   5   4   0 41.867  83.733   0.433    3.05    4       98.3       25.1
  264   4   6   3 41.913  83.827   0.434    3.05    8        8.6        0.4
  265   2   7   5 41.966  83.932   0.434    3.04    8       71.5       26.5
  266   4   8   1 42.042  84.085   0.435    3.03    8       16.4        1.4
  267   2  11   2 42.058  84.115   0.435    3.03    8       46.8       11.3
  268   1  11   3 42.096  84.192   0.435    3.03    8       50.8       13.3
  269   5   2   2 42.131  84.263   0.435    3.03    8       41.7        9.0
  270   0  12   2 42.161  84.322   0.436    3.02    4       19.9        1.0
  271   2   9   4 42.193  84.387   0.436    3.02    8       79.3       32.3
  272   0   6   6 42.303  84.607   0.437    3.01    4       18.7        0.9
  273   5   4   1 42.427  84.853   0.438    3.0     8       52.4       14.0
  274   4   4   4 42.541  85.082   0.439    2.99    8       16.1        1.3
  275   1  10   4 42.559  85.117   0.439    2.99    8       57.6       16.9
  276   3   5   5 42.618  85.236   0.44     2.98    8       62.7       20.0
  277   2   4   6 42.693  85.386   0.44     2.98    8       34.1        5.9
  278   3   9   3 42.876  85.751   0.442    2.96    8       62.7       19.8
  279   5   3   2 42.953  85.907   0.442    2.96    8       95.7       46.1
  280   1  12   2 43.08   86.161   0.443    2.95    8       33.0        5.5
  281   3  10   2 43.202  86.404   0.444    2.94    8       28.2        4.0
  282   1   6   6 43.222  86.444   0.445    2.94    8       12.8        0.8
  283   5   5   0 43.346  86.692   0.446    2.93    4       37.4        3.5
  284   2  12   0 43.601  87.201   0.448    2.91    4       36.4        3.3
  285   0   0   7 43.654  87.308   0.448    2.91    2       97.4       11.7
  286   4   8   2 43.719  87.438   0.449    2.9     8       65.2       21.0
  287   5   5   1 43.904  87.808   0.45     2.89    8       72.5       25.9
  288   3   8   4 43.993  87.987   0.451    2.88    8      131.2       84.5
  289   4   5   4 44.018  88.036   0.451    2.88    8       69.6       23.7
  290   4   7   3 44.048  88.097   0.451    2.88    8       19.4        1.8
  291   5   4   2 44.102  88.203   0.452    2.88    8        8.1        0.3
  292   2  12   1 44.158  88.316   0.452    2.87    8       26.2        3.4
  293   2   5   6 44.17   88.339   0.452    2.87    8       47.3       10.9
  294   4   9   0 44.275  88.549   0.453    2.87    4       23.5        1.3
  295   0   2   7 44.31   88.619   0.453    2.87    4      133.4       43.4
  296   3  11   0 44.414  88.828   0.454    2.86    4       48.1        5.6
  297   3   6   5 44.422  88.845   0.454    2.86    8      125.7       76.8
  298   2   8   5 44.428  88.856   0.454    2.86    8       98.1       46.9
  299   5   1   3 44.431  88.862   0.454    2.86    8       18.5        1.7
  300   1   9   5 44.464  88.929   0.455    2.86    8       84.9       35.0
  301   1   1   7 44.734  89.469   0.457    2.84    8       28.1        3.8
  302   3   1   6 44.819  89.638   0.458    2.84    8       67.4       21.9
  303   4   9   1 44.832  89.664   0.458    2.84    8       74.4       26.7
  304   2  11   3 44.849  89.698   0.458    2.84    8       40.2        7.8
  305   5   2   3 44.922  89.844   0.458    2.83    8       88.8       38.1
  306   4   0   5 44.938  89.876   0.458    2.83    4       37.1        3.3
  307   1  13   0 44.948  89.895   0.459    2.83    4      167.7       67.7
  308   0  12   3 44.952  89.904   0.459    2.83    4      164.8       65.4
  309   3  11   1 44.971  89.943   0.459    2.83    8       15.7        1.2


  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   6.138  12.277  7.2035       664.5     17.4     17.5     5.6
    2   1   1   0   7.891  15.781  5.61099      770.8     20.1     20.2     5.6
    3   0   2   1   8.364  16.728  5.2954       320.9      8.4      8.4     5.6
    4   1   1   1   9.731  19.463  4.55708       85.5      2.2      2.2     5.6
    5   1   2   1  11.112  22.225  3.99659     3827.7    100.0    100.0     5.6
    6   1   3   0  11.785  23.57   3.77142      382.5     10.0     10.0     5.6
    7   0   2   2  12.965  25.93   3.43335      663.4     17.3     17.3     5.6
    8   1   3   1  13.109  26.218  3.39626     1162.0     30.4     30.3     5.6
    9   1   1   2  13.904  27.809  3.20546     1789.0     46.7     46.5     5.6
   10   1   4   0  14.385  28.771  3.10041      444.6     11.6     11.6     5.6
   11   2   0   0  14.648  29.296  3.046        290.8      7.6      7.6     5.6
   12   1   2   2  14.923  29.847  2.99104      170.4      4.5      4.4     5.6
   13   2   1   0  14.979  29.959  2.98012       52.1      1.4      1.4     5.6
   14   1   4   1  15.504  31.007  2.8817       204.0      5.3      5.3     5.6
   15   2   0   1  15.749  31.499  2.83786      397.8     10.4     10.3     5.6
   16   2   1   1  16.06   32.12   2.78435      726.3     19.0     18.8     5.6
   17   1   3   2  16.495  32.989  2.71296      317.5      8.3      8.2     5.6
   18   0   4   2  16.913  33.827  2.6477      2047.1     53.5     53.0     5.7
   19   2   2   1  16.962  33.924  2.64035      206.9      5.4      5.4     5.7
   20   1   5   0  17.201  34.402  2.60474      864.0     22.6     22.4     5.7
   21   2   3   0  17.425  34.85   2.57222      410.8     10.7     10.6     5.7
   22   1   5   1  18.164  36.327  2.47097      114.8      3.0      3.0     5.7
   23   0   2   3  18.335  36.67   2.44863      269.4      7.0      7.0     5.7
   24   1   4   2  18.494  36.989  2.42827       51.2      1.3      1.3     5.7
   25   2   0   2  18.705  37.411  2.40186      955.8     25.0     24.7     5.7
   26   2   1   2  18.973  37.947  2.36917      260.0      6.8      6.7     5.7
   27   1   1   3  19.035  38.07   2.36178      107.9      2.8      2.8     5.7
   28   2   4   0  19.341  38.682  2.32579      423.4     11.1     10.9     5.7
   29   0   6   1  19.61   39.219  2.29517      294.6      7.7      7.6     5.7
   30   1   2   3  19.818  39.636  2.27197      454.0     11.9     11.7     5.7
   31   1   6   0  20.17   40.341  2.2339       143.5      3.7      3.7     5.7
   32   2   4   1  20.216  40.432  2.22908      194.1      5.1      5.0     5.7
   33   1   5   2  20.822  41.643  2.167        138.6      3.6      3.6     5.7
   34   1   6   1  21.017  42.033  2.14779      257.6      6.7      6.6     5.7
   35   1   3   3  21.069  42.139  2.14266      262.1      6.8      6.7     5.7
   36   0   4   3  21.411  42.821  2.11007       74.1      1.9      1.9     5.7
   37   2   5   0  21.591  43.183  2.09323      293.1      7.7      7.5     5.7
   38   0   6   2  22.122  44.243  2.04549       57.9      1.5      1.5     5.7
   39   2   5   1  22.394  44.788  2.02189       42.3      1.1      1.1     5.7
   40   3   1   0  22.524  45.048  2.01079      156.1      4.1      4.0     5.7
   41   2   4   2  22.673  45.346  1.99829      205.6      5.4      5.3     5.7
   42   1   4   3  22.726  45.452  1.99386       53.3      1.4      1.4     5.7
   43   2   0   3  22.904  45.809  1.97916      202.4      5.3      5.2     5.7
   44   0   0   4  23.232  46.464  1.95275      728.3     19.0     18.6     5.7
   45   1   7   0  23.269  46.537  1.94987       88.9      2.3      2.3     5.7
   46   1   6   2  23.405  46.811  1.9391       106.0      2.8      2.7     5.7
   47   2   2   3  23.805  47.609  1.90844      295.4      7.7      7.5     5.7
   48   2   6   0  24.11   48.219  1.88571      119.2      3.1      3.0     5.7
   49   1   1   4  24.687  49.374  1.84425       47.2      1.2      1.2     5.7
   50   2   3   3  24.895  49.789  1.82985      421.6     11.0     10.7     5.7
   51   0   8   0  25.323  50.647  1.80087      120.0      3.1      3.1     5.8
   52   3   4   0  25.814  51.629  1.7689        44.5      1.2      1.1     5.8
   53   0   6   3  25.874  51.747  1.76513       45.5      1.2      1.2     5.8
   54   3   2   2  26.149  52.298  1.74784      223.0      5.8      5.7     5.8
   55   2   4   3  26.365  52.73   1.73454      242.9      6.3      6.2     5.8
   56   2   6   2  26.975  53.95   1.69813       76.0      2.0      1.9     5.8
   57   1   8   1  27.18   54.361  1.68627      142.0      3.7      3.6     5.8
   58   2   7   1  27.537  55.075  1.6661        65.4      1.7      1.7     5.8
   59   3   5   0  27.649  55.299  1.65987       94.6      2.5      2.4     5.8
   60   2   1   4  28.138  56.276  1.63333       52.3      1.4      1.3     5.8
   61   2   5   3  28.175  56.35   1.63139      118.3      3.1      3.0     5.8
   62   3   5   1  28.322  56.643  1.62362       44.7      1.2      1.1     5.8
   63   3   4   2  28.558  57.115  1.61133      228.0      6.0      5.7     5.8
   64   2   2   4  28.725  57.45   1.60273       99.4      2.6      2.5     5.8
   65   3   1   3  28.948  57.896  1.59144      164.9      4.3      4.2     5.8
   66   1   8   2  29.188  58.377  1.57946      236.2      6.2      5.9     5.8
   67   1   5   4  29.538  59.076  1.56243      225.8      5.9      5.7     5.8
   68   1   7   3  29.574  59.147  1.56072      573.1     15.0     14.4     5.8
   69   2   3   4  29.686  59.373  1.55533       66.5      1.7      1.7     5.8
   70   2   8   0  29.794  59.589  1.55021       82.8      2.2      2.1     5.8
   71   1   9   0  29.836  59.673  1.54822      114.1      3.0      2.9     5.8
   72   2   6   3  30.289  60.578  1.52723      551.0     14.4     13.8     5.8
   73   2   8   1  30.436  60.873  1.52055      137.0      3.6      3.4     5.8
   74   1   9   1  30.478  60.956  1.51868       46.8      1.2      1.2     5.8
   75   0   6   4  30.56   61.119  1.515         86.9      2.3      2.2     5.8
   76   2   4   4  31.001  62.003  1.49552       71.7      1.9      1.8     5.8
   77   4   2   0  31.128  62.255  1.49006       62.2      1.6      1.6     5.8
   78   1   2   5  31.342  62.683  1.48091      166.5      4.3      4.2     5.8
   79   3   4   3  31.766  63.532  1.46316       99.2      2.6      2.5     5.9
   80   4   3   0  32.045  64.091  1.45174      261.6      6.8      6.5     5.9
   81   1   3   5  32.256  64.512  1.44328      277.8      7.3      6.9     5.9
   82   3   6   2  32.31   64.621  1.44111      620.1     16.2     15.5     5.9
   83   1   9   2  32.357  64.714  1.43926      578.0     15.1     14.4     5.9
   84   2   5   4  32.647  65.293  1.42788      100.4      2.6      2.5     5.9
   85   2   7   3  32.68   65.36   1.42658       91.2      2.4      2.3     5.9
   86   3   7   1  32.815  65.629  1.42138       41.0      1.1      1.0     5.9
   87   4   1   2  33.058  66.116  1.4121       376.8      9.8      9.4     5.9
   88   1  10   0  33.326  66.652  1.40203       39.3      1.0      1.0     5.9
   89   1   4   5  33.513  67.026  1.39511       48.3      1.3      1.2     5.9
   90   2   1   5  33.829  67.658  1.38362      207.1      5.4      5.1     5.9
   91   3   2   4  33.89   67.78   1.38142      352.7      9.2      8.7     5.9
   92   1   7   4  33.936  67.871  1.37978      129.1      3.4      3.2     5.9
   93   2   2   5  34.358  68.716  1.36487      170.4      4.5      4.2     5.9
   94   3   8   0  34.869  69.737  1.34736      145.6      3.8      3.6     5.9
   95   2   9   2  35.329  70.658  1.33205       59.8      1.6      1.5     5.9
   96   3   8   1  35.46   70.921  1.32775       50.1      1.3      1.2     5.9
   97   4   0   3  35.869  71.738  1.31461       93.1      2.4      2.3     5.9
   98   0   6   5  36.032  72.065  1.30946      134.5      3.5      3.3     5.9
   99   0   0   6  36.277  72.554  1.30183       97.8      2.6      2.4     6.0
  100   2   4   5  36.44   72.879  1.29682       45.8      1.2      1.1     6.0
  101   4   2   3  36.556  73.113  1.29325       90.8      2.4      2.2     6.0
  102   2  10   1  36.842  73.684  1.28463       51.5      1.3      1.3     6.0
  103   1   6   5  36.99   73.981  1.28022       83.8      2.2      2.1     6.0
  104   4   3   3  37.409  74.817  1.26796       51.5      1.3      1.3     6.0
  105   1  11   1  37.56   75.12   1.2636        53.3      1.4      1.3     6.0
  106   0  10   3  37.665  75.331  1.26058       53.9      1.4      1.3     6.0
  107   3   9   0  37.787  75.574  1.25714       83.9      2.2      2.1     6.0
  108   2  10   2  38.57   77.139  1.23549      117.7      3.1      2.9     6.0
  109   1   3   6  38.752  77.504  1.23058       86.9      2.3      2.1     6.0
  110   0   4   6  38.988  77.975  1.22431       53.3      1.4      1.3     6.0
  111   4   6   2  39.091  78.183  1.22158       48.8      1.3      1.2     6.0
  112   1   7   5  39.184  78.367  1.21917       57.5      1.5      1.4     6.0
  113   1  11   2  39.277  78.554  1.21674       40.3      1.1      1.0     6.0
  114   5   1   1  39.947  79.894  1.19966      144.1      3.8      3.5     6.0
  115   4   5   3  40.094  80.187  1.19601       50.2      1.3      1.2     6.0
  116   3  10   0  40.961  81.923  1.17502       78.3      2.0      1.9     6.1
  117   4   7   2  41.252  82.504  1.16821       61.2      1.6      1.5     6.1
  118   4   3   4  41.388  82.776  1.16506      149.2      3.9      3.6     6.1
  119   5   3   2  42.953  85.907  1.13043       46.1      1.2      1.1     6.1
  120   3   8   4  43.993  87.987  1.109        108.3      2.8      2.6     6.2
  121   0   2   7  44.31   88.619  1.10271       43.4      1.1      1.0     6.2
  122   2   8   5  44.428  88.856  1.10038      131.0      3.4      3.1     6.2
  123   4   9   1  44.832  89.664  1.09255       56.5      1.5      1.3     6.2
  124   0  12   3  44.952  89.904  1.09026      175.7      4.6      4.1     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)