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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TREMOLITE

14, at 4.24 GPa, f-amphiboles, sf-Ca-amphiboles, s-hornblende, ss-tremolite

Ca(2)Mg(5)Si(8)O(22)(OH,F)(2)


Monoclinic  C 2/m  Z = 2

C2/m

14 .4 .24

Ref.Str.:

         J.N. Ott, B. Kalkan, M. Kunz, G. Berlanga, A.F. Yuvali, Q. Williams

         (2023) * Amer. Mineral., 108, 903-913, doi:10.2138/am-2022-8278

         L: $Na0.10 K0.01 Ca2.06 Mg4.93 Al0.13 Si7.88 O22.98 H0.98 F1.02$

         R: Locality - Crevoladossola Italy.

         A highpressure single-crystal X-ray diffraction study. N.A.D.

                   Initial data from BDM-file 

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

             a =   9.6198   alpha =   90.0 
             b =  17.874    beta  =  105.19
             c =   5.228    gamma =   90.0 

    Unit cell volume (cub. angs.) =   867.51

    Molar volume ( cub.cm/mol.) =   261.27

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

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

   1 0.0     0.0858  0.5      0.0    Mg    = 1.00
   2 0.0     0.1751  0.0      0.0    Mg    = 1.00
   3 0.0     0.0     0.0      0.0    Mg    = 1.00
   4 0.2895  0.0831  0.3028   0.0    Si    = 1.00
   5 0.2909  0.1712  0.8068   0.0    Si    = 1.00
   6 0.0     0.2765  0.5      0.0    Ca    = 1.00
   7 0.117   0.0845  0.22     0.0    O     = 1.00
   8 0.1171  0.1714  0.724    0.0    O     = 1.00
   9 0.118   0.0     0.723    0.0    OH    = 0.56, F     = 0.44
  10 0.36    0.2501  0.787    0.0    O     = 1.00
  11 0.3509  0.1354  0.108    0.0    O     = 1.00
  12 0.35    0.1185  0.598    0.0    O     = 1.00
  13 0.361   0.0     0.29     0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0858     0.5   
     2       2     0.0        0.1751     0.0   
     3       3     0.0        0.0        0.0   
     4       4     0.2895     0.0831     0.3028
     5       5     0.2909     0.1712     0.8068
     6       6     0.0        0.2765     0.5   
     7       7     0.117      0.0845     0.22  
     8       8     0.1171     0.1714     0.724 
     9       9     0.118      0.0        0.723 
    10      10     0.36       0.2501     0.787 
    11      11     0.3509     0.1354     0.108 
    12      12     0.35       0.1185     0.598 
    13      13     0.361      0.0        0.29  
    14       1     0.0        0.9142     0.5   
    15       2     0.0        0.8249     0.0   
    16       4     0.7105     0.9169     0.6972
    17       5     0.7091     0.8288     0.1932
    18       6     0.0        0.7235     0.5   
    19       7     0.883      0.9155     0.78  
    20       8     0.8829     0.8286     0.276 
    21       9     0.882      0.0        0.277 
    22      10     0.64       0.7499     0.213 
    23      11     0.6491     0.8646     0.892 
    24      12     0.65       0.8815     0.402 
    25      13     0.639      0.0        0.71  
    26       4     0.2895     0.9169     0.3028
    27       5     0.2909     0.8288     0.8068
    28       7     0.117      0.9155     0.22  
    29       8     0.1171     0.8286     0.724 
    30      10     0.36       0.7499     0.787 
    31      11     0.3509     0.8646     0.108 
    32      12     0.35       0.8815     0.598 
    33       4     0.7105     0.0831     0.6972
    34       5     0.7091     0.1712     0.1932
    35       7     0.883      0.0845     0.78  
    36       8     0.8829     0.1714     0.276 
    37      10     0.64       0.2501     0.213 
    38      11     0.6491     0.1354     0.892 
    39      12     0.65       0.1185     0.402 
    40       1     0.5        0.4142     0.5   
    41       2     0.5        0.3249     0.0   
    42       3     0.5        0.5        0.0   
    43       4     0.7895     0.4169     0.3028
    44       5     0.7909     0.3288     0.8068
    45       6     0.5        0.2235     0.5   
    46       7     0.617      0.4155     0.22  
    47       8     0.6171     0.3286     0.724 
    48       9     0.618      0.5        0.723 
    49      10     0.86       0.2499     0.787 
    50      11     0.8509     0.3646     0.108 
    51      12     0.85       0.3815     0.598 
    52      13     0.861      0.5        0.29  
    53       1     0.5        0.5858     0.5   
    54       2     0.5        0.6751     0.0   
    55       4     0.2105     0.5831     0.6972
    56       5     0.2091     0.6712     0.1932
    57       6     0.5        0.7765     0.5   
    58       7     0.383      0.5845     0.78  
    59       8     0.3829     0.6714     0.276 
    60       9     0.382      0.5        0.277 
    61      10     0.14       0.7501     0.213 
    62      11     0.1491     0.6354     0.892 
    63      12     0.15       0.6185     0.402 
    64      13     0.139      0.5        0.71  
    65       4     0.7895     0.5831     0.3028
    66       5     0.7909     0.6712     0.8068
    67       7     0.617      0.5845     0.22  
    68       8     0.6171     0.6714     0.724 
    69      10     0.86       0.7501     0.787 
    70      11     0.8509     0.6354     0.108 
    71      12     0.85       0.6185     0.598 
    72       4     0.2105     0.4169     0.6972
    73       5     0.2091     0.3288     0.1932
    74       7     0.383      0.4155     0.78  
    75       8     0.3829     0.3286     0.276 
    76      10     0.14       0.2499     0.213 
    77      11     0.1491     0.3646     0.892 
    78      12     0.15       0.3815     0.402 


X-ray density (g/cm cub.)   =      3.12

MU (1/cm) =     137.138    Mass attenuation coefficient (cm**2/g) =     44.016

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

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

    1    Mg                  2.568        6
                                                 2.0673       7
                                                 2.0712       8
                                                 2.0751       9
                                                 2.0751       9
                                                 2.0673       7
                                                 2.0712       8
    2    Mg                  2.568        6
                                                 2.1292       7
                                                 2.0512       8
                                                 2.1292       7
                                                 2.0512       8
                                                 2.0138      10
                                                 2.0138      10
    3    Mg                  2.568        6
                                                 2.0475       7
                                                 2.0609       9
                                                 2.0475       7
                                                 2.0609       9
                                                 2.0475       7
                                                 2.0475       7
    4    Si                  2.148        4
                                                 1.6016       7
                                                 1.6047      11
                                                 1.6279      12
                                                 1.6456      13
    5    Si                  2.148        4
                                                 1.6135       8
                                                 1.574       10
                                                 1.6571      11
                                                 1.6515      12
    6    Ca                  2.928        8
                                                 2.3405       8
                                                 2.3405       8
                                                 2.3131      10
                                                 2.6826      11
                                                 2.5009      12
                                                 2.3131      10
                                                 2.6826      11
                                                 2.5009      12
    7    O                   3.312       12
                                                 3.0584       8
                                                 3.0229       8
                                                 3.0304       9
                                                 3.0076       9
                                                 2.6313      11
                                                 2.6414      12
                                                 2.7339      13
                                                 2.7989       9
                                                 3.0207       7
                                                 2.7649       7
                                                 2.8134       8
                                                 2.9656      10
    8    O                   3.312       11
                                                 3.0229       7
                                                 3.0584       7
                                                 3.0636       9
                                                 2.6728      10
                                                 2.6714      11
                                                 2.6685      12
                                                 2.8134       7
                                                 2.7921       8
                                                 2.9362      10
                                                 2.8736      10
                                                 3.0761      10
    9   OH   ,F              3.36        12
                                                 3.0076       7
                                                 3.0304       7
                                                 3.0636       8
                                                 3.2647      12
                                                 3.2588      13
                                                 2.7989       7
                                                 2.7958       9
                                                 3.0076       7
                                                 3.0304       7
                                                 3.0636       8
                                                 3.2647      12
                                                 2.7989       7
   10    O                   3.312       10
                                                 2.6728       8
                                                 2.6653      11
                                                 2.5434      12
                                                 3.0118      10
                                                 2.9362       8
                                                 2.9656       7
                                                 2.8736       8
                                                 3.0761       8
                                                 3.1868      10
                                                 3.0314      11
   11    O                   3.312        8
                                                 2.6313       7
                                                 2.6714       8
                                                 2.6653      10
                                                 2.5817      12
                                                 2.6811      12
                                                 2.593       13
                                                 2.9008      12
                                                 3.0314      10
   12    O                   3.312        9
                                                 2.6414       7
                                                 2.6685       8
                                                 3.2647       9
                                                 2.5434      10
                                                 2.6811      11
                                                 2.5817      11
                                                 2.6795      13
                                                 2.9008      11
                                                 3.3058      12
   13    O                   3.312        8
                                                 2.7339       7
                                                 3.2588       9
                                                 2.593       11
                                                 2.6795      12
                                                 2.9826      13
                                                 2.7339       7
                                                 2.593       11
                                                 2.6795      12

  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  4.944   9.889   0.056  266.25    2       65.2      300.7
    2   1   1   0  5.365  10.73    0.061  225.82    4       49.5      293.7
    3   0   0   1  8.782  17.564   0.099   82.87    2       47.1       48.8
    4   1   3   0  8.837  17.673   0.1     81.82    4       46.1       92.5
    5   1   1  -1  9.173  18.345   0.103   75.78    4       76.5      235.8
    6   2   0   0  9.552  19.104   0.108   69.71    2       32.3       19.3
    7   0   4   0  9.926  19.852   0.112   64.39    2       94.4      152.5
    8   0   2   1 10.097  20.195   0.114   62.15    4       16.7        9.3
    9   2   2   0 10.777  21.555   0.121   54.3     4       36.5       38.5
   10   2   0  -1 11.176  22.352   0.126   50.34    2       53.8       38.7
   11   1   1   1 11.344  22.688   0.128   48.8     4       23.7       14.6
   12   1   3  -1 11.576  23.152   0.13    46.78    4       83.0      171.1
   13   2   2  -1 12.247  24.494   0.138   41.57    4       12.5        3.5
   14   0   4   1 13.313  26.626   0.149   34.87    4       18.1        6.1
   15   1   5   0 13.35   26.7     0.15    34.66    4        2.3        0.1
   16   1   3   1 13.38   26.759   0.15    34.5     4      136.0      339.1
   17   2   4   0 13.844  27.687   0.155   32.09    4      118.6      240.1
   18   3   1   0 14.633  29.265   0.164   28.52    4      168.4      430.0
   19   2   0   1 14.669  29.337   0.164   28.37    2       41.4       12.9
   20   0   6   0 14.985  29.97    0.168   27.1     2        9.8        0.7
   21   3   1  -1 15.025  30.05    0.168   26.95    4       19.5        5.4
   22   2   4  -1 15.034  30.068   0.168   26.92    4       29.3       12.3
   23   1   5  -1 15.34   30.68    0.172   25.78    4       58.4       46.8
   24   2   2   1 15.515  31.03    0.174   25.15    4      150.1      301.1
   25   3   3   0 16.289  32.579   0.182   22.65    4       78.9       75.0
   26   3   3  -1 16.647  33.294   0.186   21.6     4      108.0      133.8
   27   1   5   1 16.771  33.543   0.187   21.26    4      241.5      658.9
   28   1   1  -2 17.327  34.654   0.193   19.8     4       14.1        2.1
   29   0   6   1 17.474  34.949   0.195   19.44    4      159.9      264.2
   30   0   0   2 17.779  35.558   0.198   18.72    2      119.8       71.4
   31   2   4   1 17.838  35.677   0.199   18.58    4       20.5        4.2
   32   2   0  -2 17.875  35.751   0.199   18.5     2      284.4      397.7
   33   2   6   0 17.893  35.786   0.199   18.46    4        9.1        0.8
   34   1   7   0 18.232  36.464   0.203   17.71    4        6.6        0.4
   35   0   2   2 18.498  36.997   0.206   17.16    4       39.4       14.2
   36   2   2  -2 18.591  37.183   0.207   16.97    4       49.1       21.7
   37   1   3  -2 18.772  37.544   0.209   16.61    4       18.2        2.9
   38   2   6  -1 18.854  37.707   0.21    16.45    4       52.0       23.6
   39   4   0  -1 19.084  38.169   0.212   16.02    2       52.6       11.8
   40   3   1   1 19.097  38.195   0.212   15.99    4       15.3        2.0
   41   3   5   0 19.222  38.443   0.214   15.76    4       85.4       61.1
   42   4   0   0 19.383  38.767   0.215   15.47    2       13.1        0.7
   43   3   5  -1 19.532  39.064   0.217   15.21    4      181.5      266.5
   44   4   2  -1 19.763  39.526   0.219   14.82    4      124.2      121.5
   45   1   7  -1 19.783  39.566   0.22    14.79    4      128.7      130.2
   46   1   1   2 19.846  39.692   0.22    14.69    4       25.4        5.1
   47   3   1  -2 20.021  40.043   0.222   14.4     4      124.8      119.2
   48   4   2   0 20.053  40.107   0.223   14.35    4       39.5       11.9
   49   0   8   0 20.167  40.334   0.224   14.17    2       13.2        0.7
   50   3   3   1 20.435  40.87    0.227   13.76    4       43.0       13.5
   51   0   4   2 20.527  41.053   0.228   13.62    4       20.5        3.0
   52   2   4  -2 20.612  41.224   0.229   13.5     4       80.5       46.5
   53   1   7   1 20.949  41.898   0.232   13.02    4       79.2       43.3
   54   1   3   2 21.144  42.288   0.234   12.75    4       38.9       10.2
   55   2   6   1 21.218  42.436   0.235   12.65    4      170.0      194.4
   56   3   3  -2 21.31   42.621   0.236   12.53    4       56.0       20.9
   57   1   5  -2 21.411  42.823   0.237   12.4     4       58.6       22.6
   58   4   4  -1 21.692  43.384   0.24    12.04    4       35.1        7.9
   59   4   4   0 21.962  43.923   0.243   11.71    4       17.5        1.9
   60   0   8   1 22.151  44.302   0.245   11.48    4       17.8        1.9
   61   2   8   0 22.496  44.992   0.248   11.09    4       31.0        5.6
   62   2   0   2 22.572  45.143   0.249   11.01    2      195.1      111.3
   63   4   0  -2 22.808  45.617   0.252   10.75    2      159.1       72.3
   64   3   5   1 22.916  45.832   0.253   10.64    4      127.2       91.5
   65   3   7   0 23.023  46.046   0.254   10.53    4       84.8       40.2
   66   2   2   2 23.166  46.332   0.255   10.38    4       42.3        9.9
   67   3   7  -1 23.292  46.584   0.257   10.25    4       55.4       16.7
   68   2   8  -1 23.298  46.595   0.257   10.25    4        4.3        0.1
   69   1   9   0 23.368  46.735   0.257   10.18    4       89.4       43.3
   70   4   2  -2 23.398  46.796   0.258   10.15    4       29.6        4.7
   71   1   5   2 23.565  47.13    0.26     9.99    4       12.4        0.8
   72   4   0   1 23.579  47.159   0.26     9.97    2       25.5        1.7
   73   0   6   2 23.586  47.171   0.26     9.97    4       12.9        0.9
   74   2   6  -2 23.662  47.324   0.261    9.89    4       28.0        4.1
   75   3   5  -2 23.718  47.435   0.261    9.84    4       64.2       21.5
   76   5   1  -1 23.895  47.791   0.263    9.67    4       15.7        1.3
   77   4   2   1 24.155  48.309   0.266    9.44    4       48.9       12.0
   78   4   6  -1 24.636  49.271   0.271    9.03    4       41.8        8.4
   79   5   1   0 24.651  49.302   0.271    9.01    4       92.7       41.1
   80   1   9  -1 24.653  49.305   0.271    9.01    4      132.3       83.9
   81   4   6   0 24.88   49.761   0.273    8.83    4       22.5        2.4
   82   2   4   2 24.883  49.766   0.273    8.82    4       62.6       18.4
   83   1   7  -2 24.943  49.886   0.274    8.78    4       91.3       38.9
   84   5   3  -1 25.025  50.049   0.275    8.71    4       18.0        1.5
   85   4   4  -2 25.103  50.206   0.275    8.65    4       87.4       35.1
   86   2   8   1 25.326  50.652   0.278    8.48    4        5.2        0.1
   87   0  10   0 25.528  51.056   0.28     8.32    2       64.3        9.2
   88   1   9   1 25.642  51.283   0.281    8.24    4       16.5        1.2
   89   5   3   0 25.756  51.512   0.282    8.16    4       93.0       37.5
   90   4   4   1 25.822  51.644   0.283    8.11    4        1.3        0.0
   91   3   7   1 26.291  52.582   0.288    7.78    4        9.9        0.4
   92   3   1   2 26.341  52.683   0.288    7.75    4       36.1        5.4
   93   2   0  -3 26.384  52.769   0.288    7.72    2       19.8        0.8
   94   1   1  -3 26.465  52.93    0.289    7.67    4       23.9        2.3
   95   5   1  -2 26.623  53.246   0.291    7.56    4       95.5       36.7
   96   1   7   2 26.879  53.758   0.293    7.4     4       18.0        1.3
   97   2   2  -3 26.915  53.831   0.294    7.38    4       14.7        0.8
   98   3   7  -2 27.018  54.036   0.295    7.32    4       53.3       11.0
   99   5   5  -1 27.18   54.36    0.297    7.22    4       60.9       14.2
  100   0  10   1 27.206  54.412   0.297    7.2     4       61.7       14.6
  101   0   0   3 27.259  54.519   0.297    7.17    2       45.0        3.9
  102   3   3   2 27.397  54.795   0.299    7.09    4       63.6       15.2
  103   0   8   2 27.422  54.844   0.299    7.07    4       43.1        7.0
  104   3   9   0 27.443  54.885   0.299    7.06    4       46.6        8.2
  105   2   8  -2 27.491  54.981   0.3      7.03    4      123.8       57.2
  106   2  10   0 27.503  55.006   0.3      7.03    4       32.1        3.8
  107   1   3  -3 27.518  55.035   0.3      7.02    4      120.8       54.5
  108   3   1  -3 27.544  55.088   0.3      7.0     4       40.8        6.2
  109   2   6   2 27.568  55.137   0.3      6.99    4       14.4        0.8
  110   5   3  -2 27.671  55.343   0.301    6.93    4        8.3        0.3
  111   3   9  -1 27.679  55.359   0.302    6.92    4       34.2        4.3
  112   4   6  -2 27.773  55.546   0.302    6.87    4        2.5        0.0
  113   0   2   3 27.779  55.557   0.303    6.87    4      116.3       49.4
  114   5   5   0 27.871  55.742   0.303    6.82    4       13.9        0.7
  115   2  10  -1 28.199  56.397   0.307    6.64    4       26.1        2.4
  116   4   8  -1 28.369  56.737   0.308    6.55    4        8.4        0.2
  117   4   6   1 28.445  56.89    0.309    6.51    4      232.5      187.0
  118   2   4  -3 28.467  56.934   0.309    6.5     4        8.3        0.2
  119   3   3  -3 28.57   57.139   0.31     6.44    4       29.7        3.0
  120   4   8   0 28.591  57.181   0.311    6.43    4      126.0       54.3
  121   5   1   1 28.69   57.38    0.312    6.38    4       18.9        1.2
  122   6   0  -1 28.747  57.495   0.312    6.35    2       25.0        1.1
  123   1  11   0 28.767  57.534   0.312    6.34    4      155.4       81.4
  124   1   9  -2 29.151  58.301   0.316    6.16    4        3.6        0.0
  125   1   1   3 29.229  58.458   0.317    6.12    4       25.2        2.1
  126   6   2  -1 29.249  58.498   0.317    6.11    4       25.3        2.1
  127   0   4   3 29.3    58.6     0.318    6.09    4       11.8        0.5
  128   4   0  -3 29.351  58.703   0.318    6.06    2       21.7        0.8
  129   3   5   2 29.432  58.863   0.319    6.03    4       12.7        0.5
  130   1   5  -3 29.547  59.093   0.32     5.97    4      222.9      157.8
  131   5   3   1 29.69   59.38    0.322    5.91    4       19.1        1.1
  132   5   5  -2 29.694  59.387   0.322    5.91    4       12.1        0.5
  133   4   2  -3 29.847  59.694   0.323    5.84    4       12.8        0.5
  134   6   0   0 29.857  59.713   0.323    5.84    2      163.2       41.3
  135   1  11  -1 29.886  59.771   0.323    5.82    4       20.9        1.3
  136   2  10   1 29.99   59.979   0.324    5.78    4       56.3        9.7
  137   5   7  -1 30.213  60.426   0.327    5.68    4       37.1        4.1
  138   1   3   3 30.218  60.435   0.327    5.68    4       13.9        0.6
  139   6   2   0 30.347  60.694   0.328    5.63    4       47.4        6.7
  140   3   9   1 30.37   60.741   0.328    5.62    4       20.1        1.2
  141   4   0   2 30.428  60.856   0.329    5.59    2      199.3       59.1
  142   3   5  -3 30.554  61.108   0.33     5.54    4       32.4        3.1
  143   6   4  -1 30.724  61.448   0.332    5.47    4        2.1        0.0
  144   6   0  -2 30.749  61.498   0.332    5.46    2      210.8       64.5
  145   1  11   1 30.759  61.517   0.332    5.46    4       19.9        1.2
  146   5   7   0 30.86   61.72    0.333    5.42    4       76.5       16.9
  147   1   9   2 30.907  61.814   0.333    5.4     4      113.4       36.9
  148   4   2   2 30.913  61.826   0.333    5.4     4       36.8        3.9
  149   2   6  -3 30.94   61.88    0.334    5.39    4      242.3      168.2
  150   3   9  -2 31.034  62.068   0.335    5.35    4       51.9        7.7
  151   2   8   2 31.06   62.12    0.335    5.34    4        2.0        0.0
  152   0  12   0 31.141  62.281   0.336    5.31    2      243.9       84.0
  153   6   2  -2 31.231  62.462   0.337    5.28    4       23.7        1.6
  154   4   8  -2 31.25   62.501   0.337    5.27    4       93.9       24.7
  155   4   4  -3 31.305  62.61    0.337    5.25    4        9.9        0.3
  156   5   5   1 31.631  63.262   0.34     5.13    4       86.5       20.4
  157   0   6   3 31.733  63.466   0.341    5.1     4       42.6        4.9
  158   2   0   3 31.766  63.532   0.342    5.09    2       32.0        1.4
  159   6   4   0 31.792  63.583   0.342    5.08    4        9.5        0.2
  160   4   8   1 31.876  63.752   0.343    5.05    4       11.3        0.3
  161   0  10   2 31.881  63.763   0.343    5.05    4       12.3        0.4
  162   2  10  -2 31.944  63.888   0.343    5.03    4       56.8        8.6
  163   1   5   3 32.14   64.28    0.345    4.96    4       45.5        5.4
  164   5   1  -3 32.213  64.426   0.346    4.93    4        1.3        0.0
  165   2   2   3 32.24   64.479   0.346    4.93    4       73.2       14.0
  166   3   7   2 32.332  64.663   0.347    4.9     4       62.1       10.0
  167   4   4   2 32.343  64.686   0.347    4.89    4       95.1       23.5
  168   3  11   0 32.373  64.745   0.348    4.88    4      117.4       35.8
  169   1   7  -3 32.44   64.881   0.348    4.86    4      101.2       26.5
  170   5   7  -2 32.58   65.16    0.35     4.82    4       19.0        0.9
  171   3  11  -1 32.587  65.174   0.35     4.81    4       58.6        8.8
  172   0  12   1 32.63   65.259   0.35     4.8     4       33.6        2.9
  173   6   4  -2 32.653  65.306   0.35     4.79    4       94.2       22.6
  174   4  10  -1 32.748  65.496   0.351    4.76    4       53.8        7.3
  175   2  12   0 32.896  65.792   0.353    4.72    4       49.6        6.2
  176   4  10   0 32.952  65.904   0.353    4.7     4       38.1        3.6
  177   6   6  -1 33.096  66.193   0.354    4.66    4      324.6      260.8
  178   5   3  -3 33.149  66.299   0.355    4.64    4       68.1       11.4
  179   3   7  -3 33.398  66.795   0.357    4.57    4       54.6        7.2
  180   2  12  -1 33.523  67.046   0.358    4.53    4       21.4        1.1
  181   2   4   3 33.639  67.278   0.36     4.5     4        9.0        0.2
  182   4   6  -3 33.654  67.309   0.36     4.49    4       43.2        4.5
  183   6   0   1 33.894  67.788   0.362    4.43    2       31.9        1.2
  184   1  11  -2 33.93   67.86    0.362    4.42    4       14.6        0.5
  185   5   9  -1 33.997  67.995   0.363    4.4     4       53.7        6.7
  186   6   6   0 34.123  68.247   0.364    4.37    4       16.0        0.6
  187   7   1  -1 34.205  68.411   0.365    4.34    4       10.9        0.3
  188   2   8  -3 34.225  68.45    0.365    4.34    4       12.6        0.4
  189   6   2   1 34.352  68.704   0.366    4.31    4       59.1        8.0
  190   5   7   1 34.426  68.853   0.367    4.29    4        2.6        0.0
  191   1  13   0 34.496  68.992   0.368    4.27    4       14.0        0.4
  192   5   9   0 34.606  69.211   0.369    4.24    4       22.1        1.1
  193   4   6   2 34.656  69.312   0.369    4.23    4        7.8        0.1
  194   1   7   3 34.914  69.829   0.372    4.17    4       32.9        2.4
  195   6   6  -2 34.956  69.911   0.372    4.16    4        2.6        0.0
  196   0   8   3 34.979  69.957   0.372    4.15    4        3.8        0.0
  197   5   5  -3 34.984  69.968   0.372    4.15    4      130.7       37.7
  198   3  11   1 35.056  70.111   0.373    4.13    4       31.8        2.2
  199   7   3  -1 35.115  70.231   0.373    4.12    4       45.4        4.5
  200   2  12   1 35.156  70.313   0.374    4.11    4       26.8        1.6
  201   2  10   2 35.247  70.494   0.375    4.09    4       28.3        1.7
  202   3   1   3 35.265  70.531   0.375    4.08    4       17.5        0.7
  203   5   1   2 35.28   70.56    0.375    4.08    4      192.9       80.7
  204   4  10  -2 35.426  70.851   0.376    4.05    4       30.7        2.0
  205   1  13  -1 35.512  71.024   0.377    4.03    4       82.5       14.5
  206   6   0  -3 35.554  71.109   0.377    4.02    2       41.5        1.8
  207   1  11   2 35.555  71.109   0.377    4.02    4      172.7       63.7
  208   7   1   0 35.62   71.239   0.378    4.0     4       95.9       19.6
  209   7   1  -2 35.637  71.274   0.378    4.0     4       53.9        6.2
  210   3  11  -2 35.673  71.347   0.379    3.99    4      111.6       26.4
  211   6   4   1 35.711  71.421   0.379    3.98    4       20.7        0.9
  212   2   6   3 35.911  71.822   0.381    3.94    4      137.8       39.8
  213   3   9   2 35.998  71.996   0.382    3.92    4        2.4        0.0
  214   6   2  -3 36.003  72.006   0.382    3.92    4       53.5        6.0
  215   4  10   1 36.015  72.029   0.382    3.92    4       32.1        2.1
  216   1   9  -3 36.102  72.203   0.382    3.9     4       54.1        6.1
  217   2   0  -4 36.113  72.226   0.383    3.9     2       55.7        3.2
  218   3   3   3 36.163  72.327   0.383    3.89    4       14.2        0.4
  219   5   3   2 36.178  72.356   0.383    3.88    4      106.5       23.4
  220   5   9  -2 36.234  72.468   0.384    3.87    4      111.3       25.5
  221   6   8  -1 36.281  72.563   0.384    3.86    4       20.6        0.9
  222   1  13   1 36.313  72.626   0.384    3.85    4       47.5        4.6
  223   7   3   0 36.514  73.028   0.386    3.81    4       34.8        2.5
  224   7   3  -2 36.531  73.062   0.386    3.81    4       77.9       12.3
  225   2   2  -4 36.559  73.118   0.387    3.8     4       26.3        1.4
  226   1   1  -4 36.579  73.157   0.387    3.8     4      156.1       49.2
  227   3   1  -4 36.696  73.392   0.388    3.78    4       63.9        8.2
  228   4   8  -3 36.817  73.635   0.389    3.75    4        1.7        0.0
  229   7   5  -1 36.906  73.811   0.39     3.74    4      135.6       36.5
  230   0  12   2 36.91   73.82    0.39     3.74    4      151.9       45.8
  231   2  12  -2 36.968  73.937   0.39     3.73    4      236.6      110.9
  232   3   9  -3 37.014  74.028   0.391    3.72    4       78.1       12.0
  233   0  14   0 37.109  74.218   0.392    3.7     2        5.0        0.0
  234   6   8   0 37.269  74.537   0.393    3.67    4       55.8        6.1
  235   6   4  -3 37.336  74.672   0.394    3.66    4       24.6        1.2
  236   1   3  -4 37.464  74.928   0.395    3.64    4       80.7       12.6
  237   3   3  -4 37.58   75.161   0.396    3.62    4       87.2       14.6
  238   0   0   4 37.64   75.279   0.396    3.6     2      155.6       23.2
  239   5   7  -3 37.661  75.322   0.397    3.6     4       34.0        2.2
  240   4  12  -1 37.722  75.444   0.397    3.59    4       16.9        0.5
  241   4   8   2 37.782  75.565   0.398    3.58    4       28.1        1.5
  242   3  13   0 37.81   75.62    0.398    3.58    4        3.3        0.0
  243   4   0  -4 37.872  75.743   0.398    3.57    2      200.6       38.1
  244   2   4  -4 37.884  75.769   0.399    3.56    4       40.5        3.1
  245   4  12   0 37.914  75.828   0.399    3.56    4       41.0        3.2
  246   6   6   1 37.929  75.858   0.399    3.56    4      116.1       25.5
  247   3   5   3 37.934  75.868   0.399    3.55    4       23.0        1.0
  248   5   5   2 37.948  75.897   0.399    3.55    4       69.4        9.1
  249   5   9   1 38.0    76.001   0.4      3.54    4       35.1        2.3
  250   3  13  -1 38.01   76.021   0.4      3.54    4       12.6        0.3
  251   6   8  -2 38.072  76.144   0.4      3.53    4       52.4        5.2
  252   0   2   4 38.079  76.157   0.4      3.53    4       23.8        1.1
  253   2  10  -3 38.246  76.491   0.402    3.5     4        8.2        0.1
  254   7   5   0 38.279  76.557   0.402    3.5     4       15.2        0.4
  255   7   5  -2 38.296  76.591   0.402    3.5     4        2.7        0.0
  256   4   2  -4 38.31   76.62    0.402    3.49    4       37.2        2.6
  257   5  11  -1 38.466  76.931   0.404    3.47    4       17.8        0.6
  258   1   9   3 38.47   76.94    0.404    3.47    4       55.9        5.8
  259   0  14   1 38.488  76.975   0.404    3.47    4       53.4        5.3
  260   2  14   0 38.736  77.472   0.406    3.43    4       38.7        2.7
  261   0  10   3 38.968  77.936   0.408    3.39    4       59.1        6.3
  262   2   8   3 38.998  77.996   0.408    3.39    4       14.8        0.4
  263   5  11   0 39.046  78.092   0.409    3.38    4       35.1        2.2
  264   4   0   3 39.208  78.416   0.41     3.36    2       23.3        0.5
  265   1   5  -4 39.214  78.428   0.41     3.36    4       54.7        5.3
  266   1  13  -2 39.273  78.546   0.411    3.35    4       56.6        5.7
  267   2  14  -1 39.324  78.647   0.411    3.34    4      101.1       18.2
  268   3   5  -4 39.329  78.657   0.411    3.34    4        6.7        0.1
  269   0   4   4 39.387  78.774   0.412    3.34    4       65.0        7.5
  270   6   6  -3 39.522  79.044   0.413    3.32    4       37.1        2.4
  271   7   7  -1 39.533  79.067   0.413    3.32    4       38.3        2.6
  272   4   4  -4 39.616  79.232   0.414    3.3     4       73.8        9.6
  273   4   2   3 39.642  79.284   0.414    3.3     4       74.9        9.8
  274   1   1   4 39.713  79.425   0.415    3.29    4        5.0        0.0
  275   7   1   1 39.755  79.511   0.415    3.29    4        3.5        0.0
  276   7   1  -3 39.789  79.578   0.415    3.28    4       16.9        0.5
  277   8   0  -1 39.861  79.723   0.416    3.27    2       14.1        0.2
  278   5   1  -4 40.055  80.111   0.418    3.25    4        7.9        0.1
  279   2   6  -4 40.061  80.122   0.418    3.25    4        0.2        0.0
  280   2  12   2 40.092  80.185   0.418    3.24    4       16.1        0.4
  281   6  10  -1 40.224  80.448   0.419    3.23    4       49.6        4.2
  282   4  12  -2 40.263  80.527   0.42     3.22    4        0.7        0.0
  283   8   2  -1 40.293  80.587   0.42     3.22    4       53.5        4.9
  284   3  13   1 40.341  80.683   0.42     3.21    4       45.6        3.6
  285   3  11   2 40.382  80.764   0.421    3.21    4       13.4        0.3
  286   6   0   2 40.44   80.879   0.421    3.2     2       47.3        1.9
  287   1  11  -3 40.482  80.963   0.421    3.2     4       51.8        4.6
  288   3   7   3 40.541  81.083   0.422    3.19    4       51.0        4.4
  289   5   7   2 40.555  81.111   0.422    3.19    4       24.4        1.0
  290   1   3   4 40.576  81.153   0.422    3.19    4       37.5        2.4
  291   5  11  -2 40.61   81.219   0.423    3.18    4      207.9       73.1
  292   7   3   1 40.619  81.238   0.423    3.18    4       43.2        3.2
  293   7   3  -3 40.652  81.304   0.423    3.18    4        9.1        0.1
  294   1  15   0 40.672  81.344   0.423    3.17    4        5.2        0.0
  295   4  10  -3 40.743  81.486   0.424    3.17    4       53.9        4.9
  296   1  13   2 40.818  81.635   0.424    3.16    4       40.0        2.7
  297   4  12   1 40.828  81.657   0.424    3.16    4       22.7        0.9
  298   8   0  -2 40.838  81.675   0.424    3.16    2       35.8        1.1
  299   2  14   1 40.868  81.736   0.425    3.15    4       42.4        3.0
  300   6   2   2 40.87   81.74    0.425    3.15    4       13.5        0.3
  301   7   7   0 40.88   81.759   0.425    3.15    4       41.9        2.9
  302   7   7  -2 40.896  81.793   0.425    3.15    4       71.4        8.5
  303   5   3  -4 40.917  81.835   0.425    3.15    4       12.0        0.2
  304   3  13  -2 40.931  81.862   0.425    3.15    4        5.2        0.0
  305   4   4   3 40.936  81.873   0.425    3.14    4       31.1        1.6
  306   6   8   1 40.967  81.934   0.426    3.14    4        3.3        0.0
  307   5   9  -3 41.134  82.268   0.427    3.12    4        7.4        0.1
  308   6  10   0 41.182  82.363   0.427    3.12    4       13.5        0.3
  309   8   2  -2 41.267  82.535   0.428    3.11    4       33.4        1.8
  310   3  11  -3 41.364  82.728   0.429    3.1     4        8.3        0.1
  311   0   6   4 41.543  83.085   0.43     3.08    4       15.7        0.4
  312   8   4  -1 41.583  83.167   0.431    3.08    4        5.3        0.0
  313   8   0   0 41.588  83.177   0.431    3.08    2      141.4       16.4
  314   1  15  -1 41.636  83.272   0.431    3.07    4       46.0        3.5
  315   4  10   2 41.682  83.364   0.432    3.07    4       39.3        2.5
  316   4   6  -4 41.769  83.538   0.432    3.06    4       17.1        0.5
  317   1   7  -4 41.8    83.601   0.433    3.06    4       38.1        2.4
  318   3   7  -4 41.914  83.827   0.434    3.05    4       36.1        2.1
  319   6  10  -2 41.965  83.929   0.434    3.04    4       45.1        3.3
  320   8   2   0 42.017  84.034   0.434    3.04    4       21.7        0.8
  321   6   4   2 42.157  84.314   0.436    3.02    4       58.8        5.6
  322   1   5   4 42.292  84.585   0.437    3.01    4       12.2        0.2
  323   5  11   1 42.322  84.644   0.437    3.01    4       33.9        1.8
  324   7   5   1 42.335  84.669   0.437    3.01    4       72.8        8.5
  325   2   0   4 42.337  84.675   0.437    3.01    2      228.7       41.8
  326   7   5  -3 42.368  84.735   0.437    3.01    4       12.5        0.2
  327   1  15   1 42.401  84.802   0.438    3.0     4       91.9       13.5
  328   6   8  -3 42.532  85.063   0.439    2.99    4        9.6        0.1
  329   0  14   2 42.547  85.094   0.439    2.99    4       40.2        2.6
  330   8   4  -2 42.552  85.104   0.439    2.99    4       64.9        6.7
  331   2  14  -2 42.604  85.207   0.439    2.99    4        3.4        0.0
  332   5   5  -4 42.631  85.262   0.44     2.98    4       14.3        0.3
  333   2   2   4 42.765  85.529   0.441    2.97    4       29.6        1.4
  334   1  11   3 42.781  85.561   0.441    2.97    4       16.9        0.5
  335   6   0  -4 42.788  85.577   0.441    2.97    2       23.5        0.4
  336   2  10   3 42.871  85.741   0.442    2.96    4       93.6       13.8
  337   7   9  -1 42.97   85.94    0.442    2.96    4       19.7        0.6
  338   2  12  -3 42.988  85.976   0.443    2.95    4       22.6        0.8
  339   2   8  -4 43.063  86.127   0.443    2.95    4        3.1        0.0
  340   4   6   3 43.077  86.154   0.443    2.95    4       72.6        8.3
  341   6   2  -4 43.215  86.43    0.444    2.94    4       28.3        1.3
  342   8   4   0 43.298  86.596   0.445    2.93    4       45.8        3.3
  343   4  14  -1 43.332  86.665   0.445    2.93    4       13.0        0.3
  344   4  14   0 43.519  87.037   0.447    2.92    4       16.9        0.4
  345   0  16   0 43.592  87.184   0.448    2.91    2        2.6        0.0
  346   5  13  -1 43.629  87.258   0.448    2.91    4       20.8        0.7
  347   0  12   3 43.694  87.388   0.448    2.9     4       22.6        0.8
  348   8   6  -1 43.719  87.438   0.449    2.9     4       53.0        4.3
  349   3  15   0 43.844  87.687   0.45     2.89    4       16.3        0.4
  350   3   9   3 43.964  87.928   0.451    2.89    4       67.5        7.0
  351   5   9   2 43.978  87.956   0.451    2.89    4       85.2       11.1
  352   3  15  -1 44.038  88.076   0.451    2.88    4       46.4        3.3
  353   2   4   4 44.044  88.087   0.451    2.88    4        9.2        0.1
  354   5   1   3 44.045  88.09    0.451    2.88    4        8.6        0.1
  355   5  13   0 44.196  88.392   0.453    2.87    4       83.9       10.8
  356   6   6   2 44.29   88.579   0.453    2.87    4        8.3        0.1
  357   7   9   0 44.299  88.598   0.453    2.87    4      131.3       26.3
  358   7   9  -2 44.315  88.631   0.453    2.87    4       19.9        0.6
  359   8   0  -3 44.487  88.973   0.455    2.86    2       35.7        1.0
  360   6   4  -4 44.493  88.986   0.455    2.86    4      113.5       19.5
  361   0   8   4 44.53   89.061   0.455    2.85    4       42.9        2.8
  362   8   6  -2 44.683  89.366   0.456    2.84    4       18.9        0.5
  363   4   8  -4 44.755  89.51    0.457    2.84    4       27.7        1.2
  364   6  10   1 44.811  89.622   0.457    2.84    4        0.7        0.0
  365   1   7   4 44.85   89.701   0.458    2.84    4       54.5        4.5
  366   7   7   1 44.892  89.784   0.458    2.83    4        6.8        0.1
  367   5   3   3 44.896  89.793   0.458    2.83    4       74.7        8.4
  368   8   2  -3 44.912  89.824   0.458    2.83    4        8.3        0.1
  369   7   7  -3 44.925  89.85    0.458    2.83    4       67.1        6.8
  370   6  12  -1 44.928  89.856   0.458    2.83    4       26.9        1.1
  371   0  16   1 44.928  89.856   0.458    2.83    4       67.0        6.8


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

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

    1   0   2   0   4.944   9.889  8.937        300.7     45.6     46.4     5.6
    2   1   1   0   5.365  10.73   8.23863      293.7     44.6     45.3     5.6
    3   0   0   1   8.782  17.564  5.0453        48.8      7.4      7.5     5.6
    4   1   3   0   8.837  17.673  5.01421       92.5     14.0     14.2     5.6
    5   1   1  -1   9.173  18.345  4.83209      235.8     35.8     36.2     5.6
    6   2   0   0   9.552  19.104  4.64181       19.3      2.9      3.0     5.6
    7   0   4   0   9.926  19.852  4.4685       152.5     23.1     23.4     5.6
    8   0   2   1  10.097  20.195  4.39352        9.3      1.4      1.4     5.6
    9   2   2   0  10.777  21.555  4.11932       38.5      5.8      5.9     5.6
   10   2   0  -1  11.176  22.352  3.97411       38.7      5.9      5.9     5.6
   11   1   1   1  11.344  22.688  3.91607       14.6      2.2      2.2     5.6
   12   1   3  -1  11.576  23.152  3.83853      171.1     26.0     26.2     5.6
   13   1   3   1  13.38   26.759  3.32874      339.1     51.5     51.8     5.6
   14   2   4   0  13.844  27.687  3.21923      240.1     36.4     36.6     5.6
   15   3   1   0  14.633  29.265  3.04918      430.0     65.3     65.5     5.6
   16   2   0   1  14.669  29.337  3.04184       12.9      2.0      2.0     5.6
   17   2   4  -1  15.034  30.068  2.96959       17.7      2.7      2.7     5.6
   18   1   5  -1  15.34   30.68   2.91173       46.8      7.1      7.1     5.6
   19   2   2   1  15.515  31.03   2.87961      301.1     45.7     45.8     5.6
   20   3   3   0  16.289  32.579  2.74621       75.0     11.4     11.4     5.6
   21   3   3  -1  16.647  33.294  2.68887      133.8     20.3     20.3     5.6
   22   1   5   1  16.771  33.543  2.66947      658.9    100.0    100.0     5.7
   23   0   6   1  17.474  34.949  2.56521      264.2     40.1     40.0     5.7
   24   0   0   2  17.779  35.558  2.52265       71.4     10.8     10.8     5.7
   25   2   0  -2  17.875  35.751  2.50949      398.6     60.5     60.4     5.7
   26   0   2   2  18.498  36.997  2.42778       14.2      2.1      2.1     5.7
   27   2   2  -2  18.591  37.183  2.41604       21.7      3.3      3.3     5.7
   28   2   6  -1  18.854  37.707  2.38365       23.6      3.6      3.6     5.7
   29   4   0  -1  19.084  38.169  2.3559        13.8      2.1      2.1     5.7
   30   3   5   0  19.222  38.443  2.33968       61.1      9.3      9.2     5.7
   31   3   5  -1  19.532  39.064  2.30392      266.5     40.4     40.2     5.7
   32   1   7  -1  19.783  39.566  2.27583      251.7     38.2     38.0     5.7
   33   3   1  -2  20.021  40.043  2.24985      119.2     18.1     18.0     5.7
   34   4   2   0  20.053  40.107  2.24639       11.9      1.8      1.8     5.7
   35   3   3   1  20.435  40.87   2.20621       13.5      2.1      2.0     5.7
   36   2   4  -2  20.612  41.224  2.18805       46.5      7.1      7.0     5.7
   37   1   7   1  20.949  41.898  2.15439       43.3      6.6      6.5     5.7
   38   1   3   2  21.144  42.288  2.13544       10.2      1.6      1.5     5.7
   39   2   6   1  21.218  42.436  2.12834      194.4     29.5     29.3     5.7
   40   3   3  -2  21.31   42.621  2.11953       20.9      3.2      3.1     5.7
   41   1   5  -2  21.411  42.823  2.10999       22.6      3.4      3.4     5.7
   42   4   4  -1  21.692  43.384  2.084          7.9      1.2      1.2     5.7
   43   2   0   2  22.572  45.143  2.00679      111.3     16.9     16.7     5.7
   44   4   0  -2  22.808  45.617  1.98705       72.3     11.0     10.8     5.7
   45   3   5   1  22.916  45.832  1.97823       91.5     13.9     13.7     5.7
   46   3   7   0  23.023  46.046  1.96951       40.2      6.1      6.0     5.7
   47   2   2   2  23.166  46.332  1.95804        9.9      1.5      1.5     5.7
   48   3   7  -1  23.292  46.584  1.94803       16.8      2.5      2.5     5.7
   49   1   9   0  23.368  46.735  1.94206       43.3      6.6      6.5     5.7
   50   3   5  -2  23.718  47.435  1.91502       21.5      3.3      3.2     5.7
   51   4   2   1  24.155  48.309  1.88241       12.0      1.8      1.8     5.7
   52   1   9  -1  24.653  49.305  1.84668      133.4     20.2     19.9     5.7
   53   2   4   2  24.883  49.766  1.83066       20.7      3.1      3.1     5.7
   54   1   7  -2  24.943  49.886  1.82654       38.9      5.9      5.8     5.7
   55   4   4  -2  25.103  50.206  1.81563       35.1      5.3      5.2     5.7
   56   0  10   0  25.528  51.056  1.7874         9.2      1.4      1.4     5.8
   57   5   3   0  25.756  51.512  1.77264       37.5      5.7      5.6     5.8
   58   5   1  -2  26.623  53.246  1.71892       36.7      5.6      5.5     5.8
   59   3   7  -2  27.018  54.036  1.69564       11.0      1.7      1.6     5.8
   60   0  10   1  27.206  54.412  1.6848        28.8      4.4      4.3     5.8
   61   3   3   2  27.397  54.795  1.67395       22.2      3.4      3.3     5.8
   62   3   9   0  27.443  54.885  1.6714         8.2      1.2      1.2     5.8
   63   2   8  -2  27.491  54.981  1.66871      115.5     17.5     17.1     5.8
   64   3   1  -3  27.544  55.088  1.66571        7.0      1.1      1.0     5.8
   65   0   2   3  27.779  55.557  1.65276       49.4      7.5      7.3     5.8
   66   4   6   1  28.445  56.89   1.61717      187.2     28.4     27.7     5.8
   67   4   8   0  28.591  57.181  1.60962       57.3      8.7      8.5     5.8
   68   1  11   0  28.767  57.534  1.60058       82.5     12.5     12.2     5.8
   69   1   5  -3  29.547  59.093  1.56202      157.8     23.9     23.3     5.8
   70   6   0   0  29.857  59.713  1.54727       42.6      6.5      6.3     5.8
   71   2  10   1  29.99   59.979  1.54105        9.7      1.5      1.4     5.8
   72   6   2   0  30.347  60.694  1.52459        7.9      1.2      1.2     5.8
   73   4   0   2  30.428  60.856  1.52092       59.1      9.0      8.7     5.8
   74   6   0  -2  30.749  61.498  1.50659       65.7     10.0      9.7     5.8
   75   5   7   0  30.86   61.72   1.50169       16.9      2.6      2.5     5.8
   76   1   9   2  30.907  61.814  1.49964       40.8      6.2      6.0     5.8
   77   2   6  -3  30.94   61.88   1.49819      168.2     25.5     24.7     5.8
   78   3   9  -2  31.034  62.068  1.49409        7.7      1.2      1.1     5.8
   79   0  12   0  31.141  62.281  1.4895        84.0     12.7     12.3     5.8
   80   4   8  -2  31.25   62.501  1.48479       26.3      4.0      3.9     5.8
   81   5   5   1  31.631  63.262  1.46875       20.4      3.1      3.0     5.9
   82   2  10  -2  31.944  63.888  1.45586        8.6      1.3      1.3     5.9
   83   2   2   3  32.24   64.479  1.44393       14.0      2.1      2.1     5.9
   84   4   4   2  32.343  64.686  1.4398        33.5      5.1      4.9     5.9
   85   3  11   0  32.373  64.745  1.43864       35.8      5.4      5.2     5.9
   86   1   7  -3  32.44   64.881  1.43596       26.5      4.0      3.9     5.9
   87   3  11  -1  32.587  65.174  1.4302         8.8      1.3      1.3     5.9
   88   6   4  -2  32.653  65.306  1.42763       25.5      3.9      3.7     5.9
   89   4  10  -1  32.748  65.496  1.42396        7.3      1.1      1.1     5.9
   90   6   6  -1  33.096  66.193  1.41064      260.8     39.6     38.0     5.9
   91   5   3  -3  33.149  66.299  1.40864       11.4      1.7      1.7     5.9
   92   3   7  -3  33.398  66.795  1.39938        7.2      1.1      1.1     5.9
   93   5   9  -1  33.997  67.995  1.37758        6.7      1.0      1.0     5.9
   94   6   2   1  34.352  68.704  1.36507        8.0      1.2      1.2     5.9
   95   5   5  -3  34.984  69.968  1.34347       37.7      5.7      5.5     5.9
   96   5   1   2  35.28   70.56   1.33364       80.7     12.2     11.7     5.9
   97   1  13  -1  35.512  71.024  1.32607       14.5      2.2      2.1     5.9
   98   1  11   2  35.555  71.109  1.32469       65.5      9.9      9.5     5.9
   99   7   1   0  35.62   71.239  1.3226        25.8      3.9      3.7     5.9
  100   3  11  -2  35.673  71.347  1.32087       26.4      4.0      3.8     5.9
  101   2   6   3  35.911  71.822  1.31329       39.8      6.0      5.7     5.9
  102   6   2  -3  36.003  72.006  1.31038        8.1      1.2      1.2     5.9
  103   1   9  -3  36.102  72.203  1.30729        9.3      1.4      1.3     5.9
  104   5   3   2  36.178  72.356  1.3049        23.4      3.6      3.4     5.9
  105   5   9  -2  36.234  72.468  1.30316       25.5      3.9      3.7     5.9
  106   7   3  -2  36.531  73.062  1.29402       14.7      2.2      2.1     6.0
  107   1   1  -4  36.579  73.157  1.29257       50.6      7.7      7.3     6.0
  108   3   1  -4  36.696  73.392  1.28902        8.2      1.2      1.2     6.0
  109   0  12   2  36.91   73.82   1.28261       82.4     12.5     11.8     6.0
  110   2  12  -2  36.968  73.937  1.28087      110.9     16.8     15.9     6.0
  111   3   9  -3  37.014  74.028  1.27951       12.0      1.8      1.7     6.0
  112   1   3  -4  37.464  74.928  1.26636       12.6      1.9      1.8     6.0
  113   3   3  -4  37.58   75.161  1.26301       14.6      2.2      2.1     6.0
  114   0   0   4  37.64   75.279  1.26132       25.4      3.9      3.6     6.0
  115   4   0  -4  37.872  75.743  1.25474       41.2      6.3      5.9     6.0
  116   6   6   1  37.929  75.858  1.25313       38.8      5.9      5.5     6.0
  117   1   9   3  38.47   76.94   1.23818       11.0      1.7      1.6     6.0
  118   2  14  -1  39.324  78.647  1.21553       18.2      2.8      2.6     6.0
  119   0   4   4  39.387  78.774  1.21389        7.5      1.1      1.1     6.0
  120   4   2   3  39.642  79.284  1.20736       19.4      2.9      2.8     6.0
  121   5  11  -2  40.61   81.219  1.18341       76.2     11.6     10.8     6.1
  122   7   7  -2  40.896  81.793  1.17655       14.8      2.2      2.1     6.1
  123   8   0   0  41.588  83.177  1.16045       16.4      2.5      2.3     6.1
  124   2   0   4  42.337  84.675  1.14371       52.1      7.9      7.3     6.1
  125   1  15   1  42.401  84.802  1.14232       13.5      2.0      1.9     6.1
  126   8   4  -2  42.552  85.104  1.13904        9.3      1.4      1.3     6.1
  127   2  10   3  42.871  85.741  1.13219       13.8      2.1      1.9     6.1
  128   4   6   3  43.077  86.154  1.12783        8.3      1.3      1.2     6.1
  129   5   9   2  43.978  87.956  1.1093        18.1      2.8      2.5     6.2
  130   5  13   0  44.196  88.392  1.10495       10.8      1.6      1.5     6.2
  131   7   9   0  44.299  88.598  1.10292       26.9      4.1      3.7     6.2
  132   6   4  -4  44.493  88.986  1.09911       19.5      3.0      2.7     6.2
  133   5   3   3  44.896  89.793  1.09132       15.3      2.3      2.1     6.2
  134   0  16   1  44.928  89.856  1.09071        7.8      1.2      1.1     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)