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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ROLLANDITE

1

Cu(3)[AsO(4)](2).4H(2)O


Orthorhombic  P nma  Z = 4

R =0.086          NR =1407

7 .5 .1901

Ref.Str.:

         H. Sarp, R. Cerny (2000)

         * Eur. J. Mineral., 12, 1045-1050

Reserv:

         from Alpes-Maritimes, France.   N.A.D.

                   Initial data from BDM-file 

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

             a =   5.6906   alpha =   90.0 
             b =  17.061    beta  =   90.0 
             c =   9.732    gamma =   90.0 

    Unit cell volume (cub. angs.) =   944.85

    Molar volume ( cub.cm/mol.) =   142.28

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

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

   1 0.4264  0.5138  0.351    0.01   Cu    = 1.00
   2 0.023   0.25    0.2214   0.01   Cu    = 1.00
   3 0.3649  0.1032  0.1004   0.01   As    = 1.00
   4 0.019   0.1463  0.5231   0.01   O     = 1.00
   5 0.024   0.0351  0.3188   0.01   O     = 1.00
   6 0.116   0.0611  0.0365   0.01   O     = 1.00
   7 0.275   0.5962  0.2386   0.01   H(2)O = 1.00
   8 0.28    0.1745  0.215    0.01   O     = 1.00
   9 0.214   0.25    0.823    0.03   H(2)O = 1.00
  10 0.36    0.25    0.4547   0.01   H(2)O = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.4264     0.5138     0.351 
     2       2     0.023      0.25       0.2214
     3       3     0.3649     0.1032     0.1004
     4       4     0.019      0.1463     0.5231
     5       5     0.024      0.0351     0.3188
     6       6     0.116      0.0611     0.0365
     7       7     0.275      0.5962     0.2386
     8       8     0.28       0.1745     0.215 
     9       9     0.214      0.25       0.823 
    10      10     0.36       0.25       0.4547
    11       1     0.0736     0.4862     0.851 
    12       2     0.477      0.75       0.7214
    13       3     0.1351     0.8968     0.6004
    14       4     0.481      0.8537     0.0231
    15       5     0.476      0.9649     0.8188
    16       6     0.384      0.9389     0.5365
    17       7     0.225      0.4038     0.7386
    18       8     0.22       0.8255     0.715 
    19       9     0.286      0.75       0.323 
    20      10     0.14       0.75       0.9547
    21       1     0.0736     0.0138     0.851 
    22       3     0.1351     0.6032     0.6004
    23       4     0.481      0.6463     0.0231
    24       5     0.476      0.5351     0.8188
    25       6     0.384      0.5611     0.5365
    26       7     0.225      0.0962     0.7386
    27       8     0.22       0.6745     0.715 
    28       1     0.4264     0.9862     0.351 
    29       3     0.3649     0.3968     0.1004
    30       4     0.019      0.3537     0.5231
    31       5     0.024      0.4649     0.3188
    32       6     0.116      0.4389     0.0365
    33       7     0.275      0.9038     0.2386
    34       8     0.28       0.3255     0.215 
    35       1     0.9264     0.5138     0.149 
    36       2     0.523      0.25       0.2786
    37       3     0.8649     0.1032     0.3996
    38       4     0.519      0.1463     0.9769
    39       5     0.524      0.0351     0.1812
    40       6     0.616      0.0611     0.4635
    41       7     0.775      0.5962     0.2614
    42       8     0.78       0.1745     0.285 
    43       9     0.714      0.25       0.677 
    44      10     0.86       0.25       0.0453
    45       1     0.5736     0.4862     0.649 
    46       2     0.977      0.75       0.7786
    47       3     0.6351     0.8968     0.8996
    48       4     0.981      0.8537     0.4769
    49       5     0.976      0.9649     0.6812
    50       6     0.884      0.9389     0.9635
    51       7     0.725      0.4038     0.7614
    52       8     0.72       0.8255     0.785 
    53       9     0.786      0.75       0.177 
    54      10     0.64       0.75       0.5453
    55       1     0.5736     0.0138     0.649 
    56       3     0.6351     0.6032     0.8996
    57       4     0.981      0.6463     0.4769
    58       5     0.976      0.5351     0.6812
    59       6     0.884      0.5611     0.9635
    60       7     0.725      0.0962     0.7614
    61       8     0.72       0.6745     0.785 
    62       1     0.9264     0.9862     0.149 
    63       3     0.8649     0.3968     0.3996
    64       4     0.519      0.3537     0.9769
    65       5     0.524      0.4649     0.1812
    66       6     0.616      0.4389     0.4635
    67       7     0.775      0.9038     0.2614
    68       8     0.78       0.3255     0.285 


X-ray density (g/cm cub.)   =      3.8 

MU (1/cm) =     174.862    Mass attenuation coefficient (cm**2/g) =     46.033

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

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

    1    Cu                  2.976        6
                                                 1.9787       7
                                                 1.9921       6
                                                 2.4572       5
                                                 2.583        7
                                                 1.9327       5
                                                 1.9989       6
    2    Cu                  2.976        6
                                                 1.9499       8
                                                 2.972       10
                                                 1.9499       8
                                                 1.9886       8
                                                 1.9487      10
                                                 1.9886       8
    3    As                  2.628        4
                                                 1.7055       6
                                                 1.7196       8
                                                 1.6596       4
                                                 1.6697       5
    4    O                   3.432        8
                                                 2.7483       5
                                                 3.3805       8
                                                 2.709       10
                                                 2.5501       7
                                                 2.7764       6
                                                 2.7296       8
                                                 2.8958       9
                                                 2.9846       7
    5    O                   3.432       10
                                                 2.7483       4
                                                 2.8317       6
                                                 2.9663       8
                                                 3.3733       6
                                                 2.769        7
                                                 3.1447       5
                                                 3.1447       5
                                                 2.7514       6
                                                 2.7735       8
                                                 2.7089       7
    6    O                   3.432        7
                                                 2.8317       5
                                                 2.7626       8
                                                 3.3733       5
                                                 3.0246       7
                                                 2.7764       4
                                                 2.7514       5
                                                 2.5679       6
    7    H(2)O               3.6         10
                                                 2.7502       9
                                                 2.5501       4
                                                 3.0246       6
                                                 2.769        5
                                                 3.4481       6
                                                 2.8539       7
                                                 2.8539       7
                                                 2.9846       4
                                                 3.5323       6
                                                 2.7089       5
    8    O                   3.432       10
                                                 3.3805       4
                                                 2.9663       5
                                                 2.7626       6
                                                 2.7034      10
                                                 2.5762       8
                                                 2.7296       4
                                                 2.7735       5
                                                 2.9257       8
                                                 2.9257       8
                                                 3.1779      10
    9    H(2)O               3.6          9
                                                 3.5889       4
                                                 2.7502       7
                                                 2.7502       7
                                                 3.5889       4
                                                 2.8958       4
                                                 3.1803       9
                                                 3.1803       9
                                                 2.9561      10
                                                 2.8958       4
   10    H(2)O               3.6          9
                                                 2.709        4
                                                 2.7034       8
                                                 2.709        4
                                                 2.7034       8
                                                 3.5378       6
                                                 3.1779       8
                                                 2.9561       9
                                                 3.5378       6
                                                 3.1779       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   2   0  5.181  10.361   0.059  242.31    2      177.9     1718.5
    2   0   1   1  5.228  10.456   0.059  237.9     4      187.8     3758.8
    3   1   0   1  9.021  18.043   0.102   78.41    4       20.2       14.4
    4   0   3   1  9.026  18.051   0.102   78.34    4       19.3       13.1
    5   0   0   2  9.108  18.216   0.103   76.88    2      118.2      240.4
    6   1   1   1  9.391  18.782   0.106   72.19    8      100.5      653.8
    7   0   4   0 10.404  20.809   0.117   58.41    2       79.8       83.4
    8   1   2   1 10.425  20.849   0.117   58.18    8       58.5      178.5
    9   0   2   2 10.5    21.001   0.118   57.31    4       46.7       55.9
   10   1   3   1 11.958  23.917   0.134   43.7     8      167.8     1102.7
   11   1   0   2 12.022  24.043   0.135   43.22    4       90.1      157.1
   12   1   1   2 12.305  24.61    0.138   41.16    8       53.5      105.8
   13   1   2   2 13.121  26.242   0.147   35.95    8       18.6       11.2
   14   1   4   1 13.837  27.675   0.155   32.13    8      263.8     2002.7
   15   0   5   1 13.84   27.681   0.155   32.11    4       19.2        5.3
   16   0   4   2 13.895  27.791   0.156   31.84    4      204.6      597.0
   17   0   1   3 13.987  27.974   0.157   31.4     4       43.5       26.6
   18   1   3   2 14.386  28.771   0.161   29.58    8      207.2     1137.7
   19   2   0   0 15.707  31.414   0.176   24.5     2      161.3      142.8
   20   0   6   0 15.717  31.435   0.176   24.46    2      114.0       71.2
   21   1   0   3 15.862  31.724   0.177   23.98    4      123.7      164.4
   22   0   3   3 15.864  31.729   0.177   23.98    4      291.4      912.1
   23   2   1   0 15.93   31.86    0.178   23.76    4       75.0       60.0
   24   1   5   1 15.954  31.907   0.178   23.69    8       28.0       16.7
   25   1   4   2 16.002  32.004   0.179   23.53    8      243.4     1249.2
   26   1   1   3 16.083  32.165   0.18    23.28    8       92.3      177.9
   27   2   0   1 16.383  32.766   0.183   22.37    4      242.3      588.4
   28   2   2   0 16.582  33.163   0.185   21.79    4       82.5       66.4
   29   2   1   1 16.597  33.195   0.185   21.74    8       81.3      128.7
   30   1   2   3 16.729  33.458   0.187   21.37    8       33.7       21.8
   31   2   2   1 17.227  34.454   0.192   20.05    8      138.3      343.9
   32   2   3   0 17.621  35.241   0.196   19.09    4       92.7       73.5
   33   1   3   3 17.761  35.521   0.198   18.76    8       12.3        2.6
   34   1   5   2 17.888  35.775   0.199   18.47    8       44.5       32.8
   35   2   3   1 18.233  36.467   0.203   17.71    8       71.8       81.7
   36   1   6   1 18.24   36.48    0.203   17.7     8       72.2       82.7
   37   2   0   2 18.277  36.553   0.204   17.62    4       17.1        2.3
   38   0   6   2 18.286  36.571   0.204   17.6     4       13.5        1.4
   39   0   0   4 18.457  36.914   0.206   17.24    2      113.8       50.0
   40   2   1   2 18.472  36.944   0.206   17.21    8       62.9       61.0
   41   2   4   0 18.992  37.983   0.211   16.19    4      224.9      367.0
   42   0   7   1 19.014  38.028   0.211   16.15    4      153.1      169.6
   43   2   2   2 19.047  38.094   0.212   16.09    8        0.7        0.0
   44   1   4   3 19.123  38.246   0.213   15.95    8      165.9      393.2
   45   0   5   3 19.125  38.25    0.213   15.94    4       38.9       10.8
   46   0   2   4 19.222  38.443   0.214   15.76    4      263.7      491.2
   47   2   4   1 19.567  39.135   0.217   15.15    8       22.4        6.8
   48   2   3   2 19.975  39.949   0.222   14.48    8        0.0        0.0
   49   1   6   2 19.981  39.962   0.222   14.47    8      145.9      275.8
   50   1   0   4 20.14   40.281   0.224   14.21    4      114.8       83.9
   51   1   1   4 20.32   40.64    0.225   13.93    8       38.7       18.7
   52   2   5   0 20.64   41.279   0.229   13.46    4      147.0      130.4
   53   1   7   1 20.659  41.317   0.229   13.43    8       64.0       49.3
   54   1   5   3 20.762  41.524   0.23    13.28    8       15.7        2.9
   55   1   2   4 20.852  41.705   0.231   13.15    8      106.0      132.3
   56   2   0   3 21.106  42.212   0.234   12.8     4      220.2      278.1
   57   0   8   0 21.173  42.346   0.234   12.71    2      300.6      257.2
   58   2   5   1 21.178  42.356   0.235   12.7     8      134.5      205.9
   59   2   4   2 21.216  42.432   0.235   12.65    8      185.1      388.6
   60   2   1   3 21.279  42.559   0.236   12.57    8      106.7      128.2
   61   0   4   4 21.376  42.752   0.237   12.44    4        5.4        0.2
   62   1   3   4 21.716  43.431   0.24    12.01    8       49.5       26.3
   63   2   2   3 21.793  43.585   0.241   11.91    8       45.5       22.1
   64   1   7   2 22.241  44.482   0.246   11.38    8       30.4        9.4
   65   2   6   0 22.518  45.036   0.249   11.07    4       77.8       30.0
   66   2   3   3 22.627  45.254   0.25    10.95    8        0.3        0.0
   67   1   6   3 22.633  45.265   0.25    10.94    8      145.5      207.6
   68   2   5   2 22.731  45.462   0.251   10.83    8       50.4       24.7
   69   1   4   4 22.88   45.76    0.252   10.67    8       11.3        1.2
   70   2   6   1 23.021  46.042   0.254   10.53    8       37.6       13.4
   71   1   8   1 23.188  46.377   0.256   10.36    8       14.3        1.9
   72   0   8   2 23.226  46.451   0.256   10.32    4       81.4       30.6
   73   0   7   3 23.285  46.569   0.257   10.26    4      213.0      208.6
   74   0   1   5 23.473  46.946   0.259   10.07    4       83.1       31.2
   75   2   4   3 23.756  47.512   0.261    9.8     8       61.3       33.0
   76   1   5   4 24.313  48.626   0.267    9.3     8       30.7        7.8
   77   3   0   1 24.439  48.878   0.269    9.19    4       71.3       20.9
   78   0   9   1 24.455  48.909   0.269    9.18    4       35.7        5.2
   79   2   6   2 24.482  48.963   0.269    9.16    8       64.4       34.0
   80   2   7   0 24.591  49.182   0.27     9.06    4      246.4      246.6
   81   3   1   1 24.594  49.187   0.27     9.06    8       44.9       16.4
   82   2   0   4 24.618  49.235   0.27     9.04    4       30.0        3.6
   83   0   6   4 24.625  49.249   0.27     9.04    4       86.5       30.3
   84   1   8   2 24.641  49.283   0.271    9.02    8       35.3       10.1
   85   1   7   3 24.698  49.396   0.271    8.98    8       18.2        2.7
   86   1   0   5 24.724  49.449   0.271    8.95    4      133.0       71.0
   87   0   3   5 24.726  49.452   0.272    8.95    4       68.0       18.6
   88   2   1   4 24.771  49.543   0.272    8.91    8       99.7       79.3
   89   1   1   5 24.878  49.756   0.273    8.83    8       40.2       12.8
   90   3   2   1 25.053  50.107   0.275    8.69    8       37.1       10.7
   91   2   7   1 25.062  50.124   0.275    8.68    8      160.6      200.6
   92   2   5   3 25.151  50.302   0.276    8.61    8      102.6       81.2
   93   2   2   4 25.229  50.458   0.277    8.55    8      153.7      181.1
   94   1   2   5 25.334  50.668   0.278    8.47    8       52.6       21.0
   95   3   3   1 25.806  51.612   0.283    8.12    8      128.5      120.1
   96   1   9   1 25.82   51.64    0.283    8.11    8       32.3        7.6
   97   3   0   2 25.839  51.678   0.283    8.1     4       58.8       12.5
   98   2   3   4 25.978  51.956   0.284    8.0     8      127.8      117.1
   99   1   6   4 25.983  51.966   0.284    8.0     8       41.3       12.2
  100   3   1   2 25.988  51.975   0.284    7.99    8      114.5       93.8
  101   1   3   5 26.081  52.162   0.285    7.93    8      156.2      173.3
  102   3   2   2 26.43   52.859   0.289    7.69    8      146.6      148.1
  103   2   7   2 26.438  52.876   0.289    7.69    8       99.4       68.1
  104   2   6   3 26.783  53.566   0.293    7.46    8       97.6       63.8
  105   2   8   0 26.832  53.665   0.293    7.43    4      157.2       82.3
  106   3   4   1 26.835  53.67    0.293    7.43    8       72.2       34.7
  107   0  10   0 26.839  53.678   0.293    7.43    2      116.0       22.4
  108   1   8   3 26.933  53.866   0.294    7.37    8      175.3      203.0
  109   2   4   4 27.002  54.004   0.295    7.33    8       27.8        5.1
  110   1   4   5 27.102  54.204   0.296    7.26    8       26.2        4.5
  111   0   5   5 27.104  54.208   0.296    7.26    4      170.4       94.4
  112   3   3   2 27.155  54.311   0.296    7.23    8       71.8       33.4
  113   1   9   2 27.168  54.337   0.296    7.22    8       38.6        9.6
  114   2   8   1 27.276  54.551   0.297    7.16    8      118.8       90.6
  115   1   7   4 27.864  55.728   0.303    6.82    8      203.9      254.0
  116   3   0   3 28.061  56.121   0.305    6.71    4      139.7       58.7
  117   0   9   3 28.075  56.15    0.305    6.7     4      204.6      125.7
  118   3   5   1 28.119  56.238   0.306    6.68    8       60.7       22.0
  119   3   4   2 28.15   56.299   0.306    6.66    8      209.4      262.0
  120   3   1   3 28.201  56.402   0.307    6.64    8       28.6        4.9
  121   2   5   4 28.281  56.562   0.308    6.59    8       33.2        6.5
  122   0   0   6 28.353  56.705   0.308    6.56    2       16.5        0.4
  123   1   5   5 28.378  56.756   0.309    6.54    8       17.2        1.7
  124   1  10   1 28.551  57.102   0.31     6.45    8       38.5        8.6
  125   2   8   2 28.577  57.154   0.31     6.44    8       96.4       53.6
  126   0  10   2 28.583  57.166   0.311    6.44    4       23.4        1.6
  127   3   2   3 28.62   57.24    0.311    6.42    8       24.6        3.5
  128   2   7   3 28.628  57.255   0.311    6.42    8      114.8       75.8
  129   2   0   5 28.652  57.303   0.311    6.4     4      141.6       57.5
  130   0   8   4 28.705  57.41    0.312    6.38    4      121.5       42.2
  131   2   1   5 28.79   57.58    0.313    6.33    8       30.9        5.4
  132   0   2   6 28.908  57.816   0.314    6.28    4      134.8       51.1
  133   2   2   5 29.203  58.407   0.317    6.13    8      142.5      111.5
  134   2   9   0 29.226  58.453   0.317    6.12    4      183.0       91.8
  135   3   3   3 29.309  58.618   0.318    6.08    8       42.1        9.7
  136   1   9   3 29.321  58.643   0.318    6.08    8       60.8       20.1
  137   3   5   2 29.396  58.791   0.319    6.04    8       39.1        8.3
  138   1   0   6 29.591  59.183   0.321    5.95    4       24.7        1.6
  139   3   6   1 29.638  59.276   0.321    5.93    8       72.5       27.9
  140   2   9   1 29.646  59.291   0.321    5.93    8       48.8       12.7
  141   1   1   6 29.727  59.454   0.322    5.89    8      147.3      114.6
  142   2   6   4 29.795  59.59    0.323    5.86    8      120.9       76.7
  143   1  10   2 29.816  59.631   0.323    5.85    8       85.1       38.0
  144   2   3   5 29.884  59.768   0.323    5.82    8        2.8        0.0
  145   1   6   5 29.889  59.777   0.323    5.82    8      184.5      177.5
  146   1   8   4 29.935  59.869   0.324    5.8     8       62.2       20.1
  147   1   2   6 30.132  60.264   0.326    5.72    8       29.6        4.5
  148   0  11   1 30.192  60.384   0.326    5.69    4      112.9       32.5
  149   3   4   3 30.257  60.514   0.327    5.66    8       17.9        1.6
  150   0   7   5 30.428  60.856   0.329    5.59    4       49.7        6.2
  151   0   4   6 30.536  61.071   0.33     5.55    4      229.3      130.7
  152   2   8   3 30.666  61.331   0.331    5.5     8      158.9      124.5
  153   1   3   6 30.8    61.601   0.332    5.44    8       27.5        3.7
  154   2   4   5 30.822  61.643   0.333    5.44    8      132.7       85.8
  155   3   6   2 30.875  61.75    0.333    5.42    8      227.0      250.0
  156   2   9   2 30.883  61.765   0.333    5.41    8       47.6       11.0
  157   3   0   4 30.992  61.983   0.334    5.37    4      167.8       67.8
  158   3   1   4 31.124  62.247   0.336    5.32    8       15.2        1.1
  159   3   7   1 31.374  62.748   0.338    5.23    8       18.1        1.5
  160   1  11   1 31.386  62.772   0.338    5.22    8       92.1       39.7
  161   3   5   3 31.451  62.902   0.339    5.2     8       43.8        8.9
  162   3   2   4 31.518  63.036   0.339    5.17    8      156.3      113.2
  163   2   7   4 31.526  63.051   0.339    5.17    8      206.8      198.3
  164   1   7   5 31.617  63.233   0.34     5.14    8      135.4       84.5
  165   1   4   6 31.722  63.444   0.341    5.1     8       76.7       26.9
  166   2  10   0 31.765  63.529   0.342    5.09    4       91.1       18.9
  167   1  10   3 31.855  63.71    0.343    5.06    8       18.8        1.6
  168   2   5   5 32.003  64.006   0.344    5.01    8       95.3       40.7
  169   2  10   1 32.164  64.328   0.346    4.95    8      188.3      157.2
  170   3   3   4 32.17   64.339   0.346    4.95    8      158.5      111.4
  171   1   9   4 32.181  64.363   0.346    4.94    8       77.1       26.3
  172   3   7   2 32.573  65.145   0.349    4.82    8      180.0      139.9
  173   1  11   2 32.584  65.169   0.35     4.81    8      241.4      251.4
  174   4   0   0 32.782  65.563   0.351    4.75    2       73.9        5.8
  175   0  12   0 32.805  65.61    0.352    4.74    2      209.7       46.8
  176   3   6   3 32.877  65.753   0.352    4.72    8       34.1        4.9
  177   2   9   3 32.884  65.768   0.352    4.72    8       89.1       33.6
  178   1   5   6 32.885  65.771   0.352    4.72    8       94.8       38.0
  179   4   1   0 32.91   65.82    0.353    4.71    4       98.0       20.3
  180   3   4   4 33.07   66.14    0.354    4.66    8        8.3        0.3
  181   2   0   6 33.137  66.274   0.355    4.64    4      114.8       27.4
  182   0   6   6 33.143  66.285   0.355    4.64    4      257.0      137.4
  183   4   0   1 33.175  66.35    0.355    4.63    4        5.1        0.1
  184   2   1   6 33.264  66.528   0.356    4.61    8       86.9       31.1
  185   4   2   0 33.293  66.586   0.356    4.6     4      153.9       48.8
  186   4   1   1 33.302  66.604   0.356    4.59    8        4.8        0.1
  187   3   8   1 33.312  66.625   0.356    4.59    8       61.7       15.7
  188   2  10   2 33.347  66.695   0.357    4.58    8       47.9        9.4
  189   0  11   3 33.4    66.8     0.357    4.57    4      133.1       36.3
  190   2   6   5 33.416  66.832   0.357    4.56    8       83.4       28.4
  191   2   8   4 33.459  66.919   0.358    4.55    8       26.1        2.8
  192   0  10   4 33.465  66.93    0.358    4.55    4      278.2      157.7
  193   1   8   5 33.547  67.095   0.359    4.52    8       98.0       38.9
  194   2   2   6 33.645  67.29    0.36     4.5     8      143.5       82.9
  195   4   2   1 33.683  67.366   0.36     4.49    8      154.9       96.5
  196   0   1   7 33.771  67.543   0.361    4.46    4      109.7       24.0
  197   4   3   0 33.926  67.852   0.362    4.42    4       40.2        3.2
  198   3   5   4 34.21   68.419   0.365    4.34    8       61.3       14.6
  199   2   3   6 34.275  68.551   0.366    4.33    8      147.1       83.9
  200   1   6   6 34.28   68.559   0.366    4.32    8       98.5       37.6
  201   4   3   1 34.313  68.625   0.366    4.32    8      145.6       81.9
  202   1  12   1 34.334  68.668   0.366    4.31    8       63.9       15.8
  203   4   0   2 34.34   68.681   0.366    4.31    4      163.9       51.9
  204   0  12   2 34.363  68.726   0.366    4.3     4      109.7       23.2
  205   2  11   0 34.446  68.892   0.367    4.28    4       46.6        4.2
  206   4   1   2 34.466  68.931   0.367    4.28    8       21.8        1.8
  207   3   8   2 34.475  68.951   0.367    4.27    8       55.4       11.8
  208   3   7   3 34.521  69.043   0.368    4.26    8        7.5        0.2
  209   1  11   3 34.533  69.065   0.368    4.26    8       53.3       10.9
  210   3   0   5 34.543  69.086   0.368    4.26    4      112.8       24.3
  211   0   9   5 34.556  69.112   0.368    4.25    4      154.2       45.3
  212   1  10   4 34.597  69.194   0.369    4.24    8       74.5       21.1
  213   3   1   5 34.668  69.336   0.369    4.23    8       54.6       11.3
  214   1   0   7 34.774  69.548   0.37     4.2     4       82.1       12.7
  215   0   3   7 34.775  69.551   0.37     4.2     4       70.5        9.3
  216   4   4   0 34.804  69.607   0.37     4.19    4      119.9       27.0
  217   2  11   1 34.83   69.659   0.371    4.19    8      113.2       48.1
  218   4   2   2 34.84   69.68    0.371    4.18    8       42.0        6.6
  219   1   1   7 34.898  69.797   0.371    4.17    8       37.9        5.4
  220   3   2   5 35.041  70.083   0.373    4.13    8      105.2       41.0
  221   2   7   5 35.048  70.097   0.373    4.13    8       30.4        3.4
  222   2   4   6 35.149  70.297   0.374    4.11    8       10.5        0.4
  223   4   4   1 35.186  70.371   0.374    4.1     8       85.8       27.0
  224   1   2   7 35.271  70.542   0.375    4.08    8      215.0      169.0
  225   2  10   3 35.275  70.55    0.375    4.08    8      143.3       75.1
  226   3   9   1 35.443  70.886   0.376    4.04    8        8.5        0.3
  227   4   3   2 35.46   70.921   0.377    4.04    8       48.6        8.6
  228   1  12   2 35.481  70.963   0.377    4.03    8       23.1        1.9
  229   3   6   4 35.579  71.158   0.378    4.01    8       77.9       21.8
  230   2   9   4 35.586  71.172   0.378    4.01    8      119.0       50.9
  231   3   3   5 35.66   71.32    0.378    3.99    8       87.8       27.6
  232   1   9   5 35.671  71.343   0.379    3.99    8       54.9       10.8
  233   1   3   7 35.888  71.776   0.381    3.94    8        5.2        0.1
  234   1   7   6 35.894  71.788   0.381    3.94    8       93.5       30.9
  235   4   5   0 35.917  71.834   0.381    3.94    4       84.6       12.6
  236   2  11   2 35.97   71.94    0.381    3.93    8       64.0       14.4
  237   4   0   3 36.243  72.487   0.384    3.87    4       77.6       10.4
  238   2   5   6 36.258  72.515   0.384    3.87    8       28.0        2.7
  239   4   5   1 36.294  72.588   0.384    3.86    8       73.4       18.6
  240   0  13   1 36.316  72.633   0.384    3.85    4       35.0        2.1
  241   4   4   2 36.321  72.642   0.384    3.85    8       30.7        3.3
  242   4   1   3 36.366  72.732   0.385    3.84    8      161.2       89.5
  243   3   8   3 36.376  72.751   0.385    3.84    8       69.3       16.6
  244   3   4   5 36.519  73.038   0.386    3.81    8      148.6       75.5
  245   3   9   2 36.575  73.15    0.387    3.8     8       55.2       10.4
  246   0   8   6 36.63   73.26    0.387    3.79    4        9.8        0.2
  247   4   2   3 36.732  73.464   0.388    3.77    8        0.3        0.0
  248   1   4   7 36.745  73.489   0.388    3.77    8       32.6        3.6
  249   0   5   7 36.746  73.492   0.388    3.77    4       44.7        3.4
  250   2   8   5 36.891  73.783   0.39     3.74    8       75.0       18.9
  251   3   7   4 37.169  74.338   0.392    3.69    8        4.8        0.1
  252   1  11   4 37.18   74.36    0.392    3.69    8       47.9        7.6
  253   4   6   0 37.259  74.519   0.393    3.67    4       50.9        4.3
  254   2  12   0 37.276  74.552   0.393    3.67    4       47.7        3.7
  255   4   3   3 37.339  74.679   0.394    3.66    8       65.3       14.0
  256   1  12   3 37.36   74.72    0.394    3.65    8      115.9       44.0
  257   1  13   1 37.41   74.82    0.394    3.64    8       99.3       32.2
  258   4   5   2 37.416  74.832   0.394    3.64    8       48.3        7.6
  259   2   6   6 37.595  75.191   0.396    3.61    8       94.6       29.0
  260   3   5   5 37.612  75.224   0.396    3.61    8       43.1        6.0
  261   4   6   1 37.631  75.262   0.396    3.61    8      160.3       83.0
  262   2  12   1 37.648  75.295   0.396    3.6     8       59.9       11.6
  263   1   8   6 37.72   75.44    0.397    3.59    8       36.5        4.3
  264   3  10   1 37.762  75.523   0.398    3.58    8      149.5       71.8
  265   1   5   7 37.835  75.67    0.398    3.57    8       44.5        6.3
  266   2  11   3 37.839  75.678   0.398    3.57    8       10.8        0.4
  267   2  10   4 37.901  75.802   0.399    3.56    8      126.2       50.8
  268   1  10   5 37.985  75.969   0.399    3.55    8       57.2       10.4
  269   2   0   7 38.072  76.144   0.4      3.53    4      121.6       23.4
  270   4   4   3 38.184  76.367   0.401    3.51    8       89.6       25.3
  271   2   1   7 38.192  76.384   0.401    3.51    8       24.6        1.9
  272   3   9   3 38.433  76.867   0.403    3.47    8       98.1       30.0
  273   1  13   2 38.52   77.041   0.404    3.46    8      181.2      101.8
  274   2   2   7 38.552  77.104   0.405    3.46    8       57.2       10.1
  275   3   0   6 38.671  77.341   0.406    3.44    4       54.3        4.5
  276   4   6   2 38.739  77.479   0.406    3.43    8      140.3       60.4
  277   2  12   2 38.756  77.511   0.406    3.43    8       30.6        2.9
  278   3   1   6 38.79   77.58    0.407    3.42    8       21.8        1.5
  279   4   7   0 38.824  77.648   0.407    3.42    4       54.3        4.5
  280   4   0   4 38.845  77.689   0.407    3.41    4      218.6       73.1
  281   0  12   4 38.866  77.733   0.407    3.41    4       15.5        0.4
  282   3  10   2 38.868  77.737   0.407    3.41    8       32.2        3.2
  283   3   6   5 38.933  77.866   0.408    3.4     8       39.8        4.8
  284   2   9   5 38.94   77.879   0.408    3.4     8       56.7        9.8
  285   4   1   4 38.964  77.928   0.408    3.39    8       15.4        0.7
  286   3   8   4 38.974  77.947   0.408    3.39    8       22.9        1.6
  287   3   2   6 39.148  78.297   0.41     3.37    8       63.5       12.2
  288   2   3   7 39.15   78.299   0.41     3.37    8       12.9        0.5
  289   1   6   7 39.154  78.307   0.41     3.37    8      152.2       69.9
  290   2   7   6 39.155  78.311   0.41     3.37    8       43.8        5.8
  291   4   7   1 39.191  78.382   0.41     3.36    8      100.1       30.2
  292   0  14   0 39.204  78.408   0.41     3.36    2      206.1       32.0
  293   4   5   3 39.261  78.521   0.411    3.35    8       37.2        4.1
  294   0  13   3 39.282  78.565   0.411    3.35    4       18.4        0.5
  295   0   0   8 39.286  78.572   0.411    3.35    2       87.3        5.7
  296   4   2   4 39.322  78.644   0.411    3.34    8        7.3        0.2
  297   0  11   5 39.422  78.844   0.412    3.33    4       20.6        0.6
  298   0   7   7 39.631  79.263   0.414    3.3     4      150.8       33.6
  299   3   3   6 39.744  79.487   0.415    3.29    8      131.8       51.2
  300   1   9   6 39.754  79.509   0.415    3.29    8       99.6       29.2
  301   0   2   8 39.762  79.524   0.415    3.29    4       53.8        4.3
  302   4   3   4 39.916  79.832   0.417    3.27    8       99.5       29.0
  303   1  12   4 39.936  79.873   0.417    3.26    8        3.8        0.0
  304   2   4   7 39.982  79.964   0.417    3.26    8      163.9       78.4
  305   2  13   0 40.268  80.535   0.42     3.22    4       29.5        1.3
  306   3  11   1 40.269  80.539   0.42     3.22    8      109.4       34.5
  307   4   7   2 40.286  80.572   0.42     3.22    8       37.8        4.1
  308   1  13   3 40.35   80.699   0.42     3.21    8      122.9       43.5
  309   1   0   8 40.353  80.707   0.42     3.21    4      202.7       59.1
  310   2  11   4 40.406  80.813   0.421    3.21    8        7.9        0.2
  311   1   1   8 40.472  80.943   0.421    3.2     8        3.4        0.0
  312   3   7   5 40.478  80.955   0.421    3.2     8       32.4        3.0
  313   1  11   5 40.488  80.977   0.421    3.2     8      117.0       39.2
  314   4   6   3 40.566  81.132   0.422    3.19    8       38.6        4.2
  315   3   4   6 40.573  81.146   0.422    3.19    8      150.6       64.7
  316   2  12   3 40.582  81.164   0.422    3.18    8       43.8        5.5
  317   4   8   0 40.606  81.212   0.422    3.18    4       20.9        0.6
  318   2  13   1 40.631  81.262   0.423    3.18    8       12.1        0.4
  319   1  14   1 40.635  81.27    0.423    3.18    8       77.3       17.0
  320   0  14   2 40.662  81.325   0.423    3.18    4       88.2       11.1
  321   3  10   3 40.694  81.387   0.423    3.17    8        7.3        0.2
  322   1   7   7 40.696  81.393   0.423    3.17    8       39.2        4.4
  323   4   4   4 40.745  81.49    0.424    3.17    8       62.7       11.2
  324   1   2   8 40.826  81.652   0.424    3.16    8       45.6        5.9
  325   2   8   6 40.934  81.868   0.425    3.15    8       17.8        0.9
  326   0  10   6 40.939  81.879   0.425    3.14    4       66.2        6.2
  327   4   8   1 40.969  81.938   0.426    3.14    8       41.5        4.8
  328   3   9   4 40.99   81.98    0.426    3.14    8       43.2        5.3
  329   2   5   7 41.046  82.093   0.426    3.13    8       13.9        0.5
  330   0   4   8 41.181  82.363   0.427    3.12    4       35.6        1.8
  331   2  10   5 41.193  82.385   0.428    3.12    8       53.1        7.9
  332   3  11   2 41.358  82.716   0.429    3.1     8       30.4        2.6
  333   1   3   8 41.416  82.831   0.429    3.09    8      133.1       49.1
  334   3   5   6 41.634  83.268   0.431    3.07    8       16.1        0.7
  335   2  13   2 41.718  83.435   0.432    3.06    8      119.3       39.1
  336   1  14   2 41.722  83.443   0.432    3.06    8      109.9       33.2
  337   4   5   4 41.805  83.61    0.433    3.06    8       26.7        1.9
  338   1  10   6 41.997  83.994   0.434    3.04    8       37.9        3.9
  339   4   8   2 42.054  84.108   0.435    3.03    8       37.3        3.8
  340   4   7   3 42.097  84.194   0.435    3.03    8      151.0       61.9
  341   4   0   5 42.117  84.235   0.435    3.03    4      164.1       36.5
  342   4   1   5 42.235  84.469   0.436    3.02    8        5.1        0.1
  343   1   4   8 42.238  84.476   0.436    3.02    8       23.2        1.5
  344   3   8   5 42.244  84.488   0.436    3.02    8       18.7        0.9
  345   2   6   7 42.34   84.68    0.437    3.01    8      124.2       41.6
  346   1   8   7 42.461  84.922   0.438    3.0     8       27.7        2.1
  347   4   2   5 42.586  85.173   0.439    2.99    8      107.3       30.8
  348   4   9   0 42.606  85.212   0.439    2.99    4      132.9       23.6
  349   1  13   4 42.881  85.761   0.442    2.96    8       29.6        2.3
  350   3   6   6 42.925  85.849   0.442    2.96    8       64.7       11.1
  351   2   9   6 42.931  85.862   0.442    2.96    8       19.5        1.0
  352   5   0   1 42.954  85.908   0.442    2.96    4       41.5        2.3
  353   4   9   1 42.966  85.932   0.442    2.96    8      123.8       40.6
  354   3  12   1 42.975  85.951   0.442    2.96    8       23.5        1.5
  355   0  15   1 42.987  85.975   0.443    2.95    4      221.9       65.2
  356   5   1   1 43.071  86.142   0.443    2.95    8       48.6        6.2
  357   4   6   4 43.095  86.19    0.443    2.95    8       76.7       15.5
  358   2  12   4 43.111  86.222   0.444    2.95    8        0.8        0.0
  359   3  11   3 43.161  86.322   0.444    2.94    8      120.7       38.4
  360   4   3   5 43.172  86.344   0.444    2.94    8       83.6       18.4
  361   1  12   5 43.192  86.384   0.444    2.94    8       71.1       13.3
  362   3  10   4 43.221  86.442   0.445    2.94    8      109.8       31.7
  363   1   5   8 43.293  86.585   0.445    2.93    8      133.3       46.7
  364   3   0   7 43.387  86.774   0.446    2.93    4       89.4       10.5
  365   0   9   7 43.399  86.798   0.446    2.92    4        7.4        0.1
  366   5   2   1 43.422  86.844   0.446    2.92    8       62.8       10.3
  367   2  14   0 43.442  86.883   0.446    2.92    4       23.2        0.7
  368   3   1   7 43.504  87.008   0.447    2.92    8       20.4        1.1
  369   2  13   3 43.519  87.038   0.447    2.92    8       99.5       25.9
  370   2   0   8 43.522  87.045   0.447    2.92    4       16.3        0.3
  371   1  14   3 43.523  87.046   0.447    2.92    8       69.2       12.5
  372   0   6   8 43.528  87.056   0.447    2.92    4        0.9        0.0
  373   2   1   8 43.639  87.279   0.448    2.91    8       15.9        0.7
  374   2  11   5 43.656  87.312   0.448    2.91    8       45.2        5.3
  375   2  14   1 43.801  87.602   0.449    2.9     8       41.5        4.5
  376   4   8   3 43.854  87.707   0.45     2.89    8       44.6        5.2
  377   3   2   7 43.855  87.71    0.45     2.89    8       79.5       16.4
  378   2   7   7 43.862  87.723   0.45     2.89    8       18.5        0.9
  379   2   2   8 43.99   87.98    0.451    2.88    8       19.6        1.0
  380   4   4   5 43.991  87.981   0.451    2.88    8      134.1       46.5
  381   5   3   1 44.007  88.014   0.451    2.88    8      116.0       34.8
  382   5   0   2 44.032  88.065   0.451    2.88    4      199.5       51.4
  383   1  15   1 44.039  88.077   0.451    2.88    8        1.6        0.0
  384   4   9   2 44.044  88.089   0.451    2.88    8       61.3        9.7
  385   3  12   2 44.054  88.108   0.451    2.88    8       47.3        5.8
  386   5   1   2 44.149  88.299   0.452    2.88    8       44.7        5.2
  387   3   9   5 44.234  88.467   0.453    2.87    8       33.2        2.8
  388   3   3   7 44.439  88.878   0.454    2.86    8       24.2        1.5
  389   3   7   6 44.445  88.889   0.455    2.86    8       30.4        2.4
  390   1   9   7 44.45   88.9     0.455    2.86    8       49.1        6.2
  391   1  11   6 44.455  88.911   0.455    2.86    8        8.5        0.2
  392   5   2   2 44.5    89.0     0.455    2.85    8      158.4       64.2
  393   2   3   8 44.574  89.148   0.456    2.85    8       39.8        4.1
  394   1   6   8 44.578  89.156   0.456    2.85    8       26.5        1.8
  395   4   7   4 44.615  89.229   0.456    2.85    8       43.9        4.9
  396   5   4   1 44.825  89.649   0.458    2.84    8       70.7       12.7
  397   4  10   0 44.828  89.656   0.458    2.84    4      202.7       52.2
  398   2  14   2 44.878  89.756   0.458    2.83    8       57.5        8.4
  399   0  14   4 44.986  89.972   0.459    2.83    4       18.3        0.4


  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   5.181  10.361  8.5305      1718.5     45.7     45.7     5.6
    2   0   1   1   5.228  10.456  8.4534      3758.8    100.0    100.0     5.6
    3   0   0   2   9.108  18.216  4.866        240.4      6.4      6.4     5.6
    4   1   1   1   9.391  18.782  4.72064      653.8     17.4     17.3     5.6
    5   1   2   1  10.425  20.849  4.25702      261.9      7.0      6.9     5.6
    6   0   2   2  10.5    21.001  4.2267        55.9      1.5      1.5     5.6
    7   1   3   1  11.958  23.917  3.71754     1102.7     29.3     29.1     5.6
    8   1   0   2  12.022  24.043  3.69828      157.1      4.2      4.1     5.6
    9   1   1   2  12.305  24.61   3.61434      105.8      2.8      2.8     5.6
   10   1   4   1  13.837  27.675  3.22067     2008.0     53.4     52.8     5.6
   11   0   4   2  13.895  27.791  3.20748      597.0     15.9     15.7     5.6
   12   1   3   2  14.386  28.771  3.10037     1137.7     30.3     29.9     5.6
   13   2   0   0  15.707  31.414  2.8453       214.0      5.7      5.6     5.6
   14   0   3   3  15.864  31.729  2.8178      1076.4     28.6     28.2     5.6
   15   2   1   0  15.93   31.86   2.80654       76.6      2.0      2.0     5.6
   16   1   4   2  16.002  32.004  2.79419     1249.2     33.2     32.7     5.6
   17   1   1   3  16.083  32.165  2.78056      177.9      4.7      4.7     5.6
   18   2   0   1  16.383  32.766  2.73097      588.4     15.7     15.4     5.6
   19   2   1   1  16.597  33.195  2.69665      195.1      5.2      5.1     5.6
   20   2   2   1  17.227  34.454  2.60094      343.9      9.1      9.0     5.7
   21   2   3   0  17.621  35.241  2.54459       73.5      2.0      1.9     5.7
   22   1   6   1  18.24   36.48   2.46096      164.4      4.4      4.3     5.7
   23   2   1   2  18.472  36.944  2.43115      111.0      3.0      2.9     5.7
   24   2   4   0  18.992  37.983  2.36697      536.7     14.3     14.0     5.7
   25   1   4   3  19.123  38.246  2.35132      404.0     10.7     10.5     5.7
   26   0   2   4  19.222  38.443  2.3397       491.2     13.1     12.8     5.7
   27   1   6   2  19.981  39.962  2.25422      275.8      7.3      7.2     5.7
   28   1   0   4  20.14   40.281  2.23711       83.9      2.2      2.2     5.7
   29   2   5   0  20.64   41.279  2.18525      179.7      4.8      4.7     5.7
   30   1   2   4  20.852  41.705  2.16393      132.3      3.5      3.4     5.7
   31   2   0   3  21.106  42.212  2.13908      278.1      7.4      7.2     5.7
   32   0   8   0  21.173  42.346  2.13263      463.1     12.3     12.0     5.7
   33   2   4   2  21.216  42.432  2.12851      388.6     10.3     10.1     5.7
   34   2   1   3  21.279  42.559  2.12247      128.2      3.4      3.3     5.7
   35   1   6   3  22.633  45.265  2.00167      207.6      5.5      5.4     5.7
   36   0   7   3  23.285  46.569  1.94859      208.6      5.6      5.4     5.7
   37   2   7   0  24.591  49.182  1.85102      266.7      7.1      6.9     5.7
   38   0   6   4  24.625  49.249  1.84865       40.4      1.1      1.0     5.7
   39   0   3   5  24.726  49.452  1.84153       92.2      2.5      2.4     5.7
   40   2   1   4  24.771  49.543  1.83838       79.3      2.1      2.0     5.7
   41   2   7   1  25.062  50.124  1.81842      211.3      5.6      5.4     5.7
   42   2   5   3  25.151  50.302  1.8124        81.2      2.2      2.1     5.8
   43   2   2   4  25.229  50.458  1.80717      181.1      4.8      4.7     5.8
   44   3   3   1  25.806  51.612  1.76942      127.7      3.4      3.3     5.8
   45   2   3   4  25.978  51.956  1.75852      223.2      5.9      5.7     5.8
   46   1   3   5  26.081  52.162  1.75207      173.3      4.6      4.4     5.8
   47   3   2   2  26.43   52.859  1.73058      216.2      5.8      5.5     5.8
   48   2   6   3  26.783  53.566  1.7094        63.8      1.7      1.6     5.8
   49   2   8   0  26.832  53.665  1.70649      139.4      3.7      3.6     5.8
   50   1   8   3  26.933  53.866  1.7006       203.0      5.4      5.2     5.8
   51   0   5   5  27.104  54.208  1.69068       98.9      2.6      2.5     5.8
   52   3   3   2  27.155  54.311  1.68771       43.1      1.1      1.1     5.8
   53   2   8   1  27.276  54.551  1.68084       90.6      2.4      2.3     5.8
   54   1   7   4  27.864  55.728  1.64811      254.0      6.8      6.5     5.8
   55   0   9   3  28.075  56.15   1.6367       184.4      4.9      4.7     5.8
   56   3   4   2  28.15   56.299  1.63272      262.0      7.0      6.7     5.8
   57   2   8   2  28.577  57.154  1.61033       63.8      1.7      1.6     5.8
   58   2   7   3  28.628  57.255  1.60771      136.8      3.6      3.5     5.8
   59   0   8   4  28.705  57.41   1.60374       42.2      1.1      1.1     5.8
   60   0   2   6  28.908  57.816  1.59345       51.1      1.4      1.3     5.8
   61   2   2   5  29.203  58.407  1.57873      203.4      5.4      5.2     5.8
   62   3   6   1  29.638  59.276  1.55764       40.6      1.1      1.0     5.8
   63   1   1   6  29.727  59.454  1.55339      114.6      3.0      2.9     5.8
   64   2   6   4  29.795  59.59   1.55019      114.7      3.1      2.9     5.8
   65   1   6   5  29.889  59.777  1.54576      177.5      4.7      4.5     5.8
   66   0   4   6  30.536  61.071  1.51608      130.7      3.5      3.3     5.8
   67   2   8   3  30.666  61.331  1.51027      124.5      3.3      3.2     5.8
   68   2   4   5  30.822  61.643  1.50338       89.5      2.4      2.3     5.8
   69   3   6   2  30.875  61.75   1.50103      261.0      6.9      6.6     5.8
   70   3   0   4  30.992  61.983  1.49594       67.8      1.8      1.7     5.8
   71   1  11   1  31.386  62.772  1.47903       41.2      1.1      1.0     5.9
   72   2   7   4  31.526  63.051  1.47315      311.5      8.3      7.9     5.9
   73   1   7   5  31.617  63.233  1.46935       84.5      2.2      2.1     5.9
   74   2   5   5  32.003  64.006  1.45345       40.7      1.1      1.0     5.9
   75   2  10   1  32.164  64.328  1.44695      294.9      7.8      7.4     5.9
   76   1  11   2  32.584  65.169  1.43031      391.3     10.4      9.9     5.9
   77   0  12   0  32.805  65.61   1.42175       52.6      1.4      1.3     5.9
   78   1   5   6  32.885  65.771  1.41866       96.8      2.6      2.4     5.9
   79   0   6   6  33.143  66.285  1.4089       164.8      4.4      4.1     5.9
   80   4   2   0  33.293  66.586  1.40327       95.6      2.5      2.4     5.9
   81   0  11   3  33.4    66.8    1.39929       64.7      1.7      1.6     5.9
   82   0  10   4  33.465  66.93   1.39688      160.5      4.3      4.0     5.9
   83   1   8   5  33.547  67.095  1.39386       38.9      1.0      1.0     5.9
   84   2   2   6  33.645  67.29   1.39028       82.9      2.2      2.1     5.9
   85   4   2   1  33.683  67.366  1.38891       96.5      2.6      2.4     5.9
   86   2   3   6  34.275  68.551  1.36776      121.5      3.2      3.0     5.9
   87   4   3   1  34.313  68.625  1.36645      149.6      4.0      3.7     5.9
   88   0   9   5  34.556  69.112  1.35802       80.4      2.1      2.0     5.9
   89   2  11   1  34.83   69.659  1.34867       81.7      2.2      2.0     5.9
   90   3   2   5  35.041  70.083  1.34156       44.4      1.2      1.1     5.9
   91   1   2   7  35.271  70.542  1.33395      244.1      6.5      6.1     5.9
   92   2   9   4  35.586  71.172  1.32368       72.7      1.9      1.8     5.9
   93   3   3   5  35.66   71.32   1.32129       38.4      1.0      1.0     5.9
   94   1   7   6  35.894  71.788  1.31383       43.5      1.2      1.1     5.9
   95   4   1   3  36.366  72.732  1.29909      106.1      2.8      2.6     6.0
   96   3   4   5  36.519  73.038  1.2944        75.5      2.0      1.9     6.0
   97   1  12   3  37.36   74.72   1.26937       58.0      1.5      1.4     6.0
   98   1  13   1  37.41   74.82   1.26792       39.8      1.1      1.0     6.0
   99   4   6   1  37.631  75.262  1.26156       94.6      2.5      2.3     6.0
  100   3  10   1  37.762  75.523  1.25785       71.8      1.9      1.8     6.0
  101   2  10   4  37.901  75.802  1.25392       50.8      1.4      1.3     6.0
  102   1  13   2  38.52   77.041  1.23682      101.8      2.7      2.5     6.0
  103   4   6   2  38.739  77.479  1.23092       63.3      1.7      1.6     6.0
  104   4   0   4  38.845  77.689  1.22811       80.7      2.1      2.0     6.0
  105   1   6   7  39.154  78.307  1.21995       88.4      2.4      2.2     6.0
  106   0  14   0  39.204  78.408  1.21864       62.1      1.7      1.5     6.0
  107   3   3   6  39.744  79.487  1.20478       84.7      2.3      2.1     6.0
  108   2   4   7  39.982  79.964  1.19879       78.4      2.1      1.9     6.0
  109   4   7   2  40.286  80.572  1.19127       39.9      1.1      1.0     6.1
  110   1   0   8  40.353  80.707  1.18962      102.6      2.7      2.5     6.1
  111   1  11   5  40.488  80.977  1.18633       42.2      1.1      1.0     6.1
  112   2  12   3  40.582  81.164  1.18407       74.5      2.0      1.8     6.1
  113   1   3   8  41.416  82.831  1.16442       49.1      1.3      1.2     6.1
  114   2  13   2  41.718  83.435  1.15752       72.3      1.9      1.8     6.1
  115   4   7   3  42.097  84.194  1.14901       98.4      2.6      2.4     6.1
  116   2   6   7  42.34   84.68   1.14365       41.6      1.1      1.0     6.1
  117   4   2   5  42.586  85.173  1.13828       54.4      1.4      1.3     6.1
  118   0  15   1  42.987  85.975  1.12971      107.2      2.9      2.6     6.1
  119   3  11   3  43.161  86.322  1.12605       56.9      1.5      1.4     6.1
  120   3  10   4  43.221  86.442  1.1248        45.1      1.2      1.1     6.1
  121   1   5   8  43.293  86.585  1.12331       46.7      1.2      1.1     6.1
  122   1  14   3  43.523  87.046  1.11855       39.9      1.1      1.0     6.1
  123   4   4   5  43.991  87.981  1.10905       81.3      2.2      2.0     6.2
  124   5   0   2  44.032  88.065  1.10821       66.9      1.8      1.6     6.2
  125   5   2   2  44.5    89.0    1.09898       64.2      1.7      1.5     6.2
  126   4  10   0  44.828  89.656  1.09263       64.9      1.7      1.6     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)