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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KULIOKITE_Y

1

Y(4)AlSi(2)O(7.5)F(5)(OH)(3)


Triclinic  P 1  Z = 1

R =0.066          NR =975

14 .12 .1989

Ref.Str.:

         Sokolova E.V., Egorov-Tismenko Yu.K., Voloshin A.V.,

         Pachomovski Ya.A. (1986)

         * Dokl. Akad. Nauk SSSR, 289, 6, 1378-1382

                   Initial data from BDM-file 

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

             a =   8.606    alpha =  102.79
             b =   8.672    beta  =   97.94
             c =   4.317    gamma =  116.66

    Unit cell volume (cub. angs.) =   270.16

    Molar volume ( cub.cm/mol.) =   162.73

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

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

   1 0.2938  0.4489  0.318    0.61   Y     = 1.00
   2 0.2614  0.803   0.9857   0.64   Y     = 1.00
   3 0.7405  0.5424  0.7237   0.45   Y     = 1.00
   4 0.7098  0.1575  0.0266   0.46   Y     = 1.00
   5 0.0     0.0     0.0      0.1    Al    = 1.00
   6 0.691   0.842   0.352    0.3    Si    = 1.00
   7 0.311   0.15    0.66     0.2    Si    = 1.00
   8 0.732   0.436   0.17     0.7    F     = 1.00
   9 0.261   0.704   0.461    0.6    F     = 1.00
  10 0.277   0.532   0.848    1.0    F     = 1.00
  11 0.716   0.249   0.572    0.7    F     = 1.00
  12 0.001   0.558   0.91     2.0    F     = 1.00
  13 0.002   0.808   0.704    0.4    O     = 1.00
  14 0.421   0.064   0.843    0.5    O     = 1.00
  15 0.007   0.213   0.298    0.5    O     = 1.00
  16 0.562   0.898   0.168    1.0    O     = 1.00
  17 0.814   0.003   0.705    0.6    O     = 1.00
  18 0.185   0.19    0.899    0.5    O     = 1.00
  19 0.44    0.343   0.623    0.5    O     = 1.00
  20 0.82    0.818   0.121    0.5    O     = 1.00
  21 0.182   0.002   0.315    0.4    O     = 1.00
  22 0.58    0.644   0.435    0.4    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2938     0.4489     0.318 
     2       2     0.2614     0.803      0.9857
     3       3     0.7405     0.5424     0.7237
     4       4     0.7098     0.1575     0.0266
     5       5     0.0        0.0        0.0   
     6       6     0.691      0.842      0.352 
     7       7     0.311      0.15       0.66  
     8       8     0.732      0.436      0.17  
     9       9     0.261      0.704      0.461 
    10      10     0.277      0.532      0.848 
    11      11     0.716      0.249      0.572 
    12      12     0.001      0.558      0.91  
    13      13     0.002      0.808      0.704 
    14      14     0.421      0.064      0.843 
    15      15     0.007      0.213      0.298 
    16      16     0.562      0.898      0.168 
    17      17     0.814      0.003      0.705 
    18      18     0.185      0.19       0.899 
    19      19     0.44       0.343      0.623 
    20      20     0.82       0.818      0.121 
    21      21     0.182      0.002      0.315 
    22      22     0.58       0.644      0.435 


X-ray density (g/cm cub.)   =      4.26

MU (1/cm) =     342.656    Mass attenuation coefficient (cm**2/g) =     80.384

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

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

    1    Y                   2.796        7
                                                 2.3149       9
                                                 2.2869      10
                                                 2.3058      10
                                                 2.3699      15
                                                 2.2443      18
                                                 2.2967      19
                                                 2.1731      22
    2    Y                   2.796        8
                                                 2.393        9
                                                 2.2365       9
                                                 2.3624      10
                                                 2.2046      12
                                                 2.4134      13
                                                 2.3346      14
                                                 2.2866      16
                                                 2.3888      21
    3    Y                   2.796        8
                                                 2.3096       8
                                                 2.342        8
                                                 2.3853      11
                                                 2.2074      12
                                                 2.4218      13
                                                 2.2827      19
                                                 2.3485      20
                                                 2.3109      22
    4    Y                   2.796        7
                                                 2.268        8
                                                 2.297       11
                                                 2.2725      11
                                                 2.1967      14
                                                 2.4421      15
                                                 2.3041      16
                                                 2.2639      17
    5    Al                  2.316        6
                                                 1.8696      13
                                                 1.9741      15
                                                 1.9167      17
                                                 1.8962      18
                                                 1.8863      20
                                                 1.9182      21
    6    Si                  2.1          4
                                                 1.5844      16
                                                 1.6365      17
                                                 1.6406      20
                                                 1.6983      22
    7    Si                  2.1          4
                                                 1.6626      14
                                                 1.6879      18
                                                 1.5997      19
                                                 1.5862      21
    8    F                   3.228        8
                                                 2.6023      11
                                                 2.676       11
                                                 2.6046      12
                                                 3.1018      13
                                                 2.9589      14
                                                 2.8706      19
                                                 3.1138      20
                                                 2.809       22
    9    F                   3.228        9
                                                 2.5018      10
                                                 2.79        10
                                                 3.1795      12
                                                 2.6309      12
                                                 2.9855      13
                                                 2.7563      14
                                                 3.0128      16
                                                 3.1173      21
                                                 3.0268      22
   10    F                   3.228        8
                                                 2.79         9
                                                 2.5018       9
                                                 2.5286      12
                                                 2.9135      15
                                                 2.8521      16
                                                 2.7752      18
                                                 2.7078      19
                                                 2.9961      22
   11    F                   3.228        8
                                                 2.676        8
                                                 2.6023       8
                                                 2.5899      12
                                                 2.8956      14
                                                 3.0207      15
                                                 2.7302      16
                                                 2.7595      17
                                                 2.8561      19
   12    F                   3.228        6
                                                 2.6046       8
                                                 2.6309       9
                                                 3.1795       9
                                                 2.5286      10
                                                 2.5899      11
                                                 2.516       13
   13    O                   3.264       11
                                                 3.1018       8
                                                 2.9855       9
                                                 2.516       12
                                                 3.1496      14
                                                 2.8163      17
                                                 2.8072      18
                                                 2.556       20
                                                 2.8151      20
                                                 2.5991      21
                                                 2.7715      21
                                                 3.1669      22
   14    O                   3.264        9
                                                 2.9589       8
                                                 2.7563       9
                                                 2.8956      11
                                                 3.1496      13
                                                 2.7395      16
                                                 2.718       18
                                                 2.7364      19
                                                 3.0532      21
                                                 2.6239      21
   15    O                   3.264        8
                                                 2.9135      10
                                                 3.0207      11
                                                 2.9446      17
                                                 2.5837      17
                                                 2.9195      18
                                                 2.4909      18
                                                 2.9089      20
                                                 2.8502      21
   16    O                   3.264        9
                                                 3.0128       9
                                                 3.2384       9
                                                 2.8521      10
                                                 2.7302      11
                                                 2.7395      14
                                                 2.6098      17
                                                 3.1239      17
                                                 2.6262      20
                                                 2.7542      22
   17    O                   3.264       10
                                                 2.7595      11
                                                 2.8163      13
                                                 2.5837      15
                                                 2.9446      15
                                                 3.1239      16
                                                 2.6098      16
                                                 2.7457      18
                                                 2.6695      20
                                                 2.693       20
                                                 2.6879      22
   18    O                   3.264       10
                                                 2.7752      10
                                                 2.8072      13
                                                 2.718       14
                                                 2.4909      15
                                                 2.9195      15
                                                 2.7457      17
                                                 3.1625      19
                                                 2.6087      19
                                                 2.6749      21
                                                 2.6719      21
   19    O                   3.264        8
                                                 2.8706       8
                                                 2.7078      10
                                                 2.8561      11
                                                 2.7364      14
                                                 2.6087      18
                                                 3.1625      18
                                                 2.6446      21
                                                 2.7036      22
   20    O                   3.264       10
                                                 3.1138       8
                                                 2.8151      13
                                                 2.556       13
                                                 2.9089      15
                                                 2.6262      16
                                                 2.693       17
                                                 2.6695      17
                                                 2.6795      21
                                                 2.6949      22
                                                 2.9746      22
   21    O                   3.264       10
                                                 3.1173       9
                                                 2.7715      13
                                                 2.5991      13
                                                 2.6239      14
                                                 3.0532      14
                                                 2.8502      15
                                                 2.6719      18
                                                 2.6749      18
                                                 2.6446      19
                                                 2.6795      20
   22    O                   3.264        9
                                                 2.809        8
                                                 3.0268       9
                                                 2.9961      10
                                                 3.1669      13
                                                 2.7542      16
                                                 2.6879      17
                                                 2.7036      19
                                                 2.9746      20
                                                 2.6949      20

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   1   0   0  5.975  11.95    0.068  181.62    2       17.5      152.2
    2  -1   1   0  6.021  12.043   0.068  178.79    2        8.5       35.8
    3   0   1   0  6.022  12.044   0.068  178.74    2        8.7       36.7
    4  -2   1   0 10.413  20.827   0.117   58.31    2       40.2      257.7
    5   1   1   0 10.415  20.83    0.117   58.29    2       40.9      267.0
    6  -1   2   0 10.496  20.992   0.118   57.36    2       43.6      298.8
    7   0  -1   1 10.688  21.376   0.12    55.24    2       54.8      454.3
    8   0   0   1 10.962  21.925   0.123   52.41    2       43.1      267.3
    9  -1   0   1 10.97   21.939   0.124   52.33    2       42.9      264.1
   10   2   0   0 12.016  24.032   0.135   43.27    2      137.8     2250.3
   11  -2   2   0 12.11   24.221   0.136   42.56    2       22.1       56.9
   12   0   2   0 12.112  24.224   0.136   42.55    2       21.0       51.5
   13   1  -1   1 12.272  24.544   0.138   41.39    2       16.2       29.6
   14  -1  -1   1 12.286  24.572   0.138   41.3     2       15.2       26.1
   15  -1   1   1 12.809  25.618   0.144   37.83    2      142.9     2116.3
   16   1  -2   1 13.511  27.023   0.152   33.79    2       72.0      479.8
   17   0  -2   1 13.518  27.036   0.152   33.76    2       73.1      494.2
   18   1   0   1 13.909  27.818   0.156   31.77    2       13.8       16.6
   19  -2   0   1 13.927  27.854   0.156   31.69    2       12.1       12.8
   20   0   1   1 14.172  28.344   0.159   30.53    2       44.1      162.8
   21  -2   1   1 14.183  28.366   0.159   30.48    2       47.6      189.2
   22  -3   1   0 16.003  32.007   0.179   23.53    2       40.8      107.1
   23   2   1   0 16.005  32.01    0.179   23.52    2       38.1       93.7
   24   2  -2   1 16.025  32.049   0.179   23.46    2      117.0      879.4
   25  -1  -2   1 16.042  32.084   0.179   23.41    2      116.3      867.0
   26  -3   2   0 16.058  32.116   0.18    23.36    2       49.4      156.2
   27   1   2   0 16.061  32.121   0.18    23.35    2       47.9      146.6
   28  -2   3   0 16.15   32.3     0.181   23.07    2       78.3      387.4
   29  -1   3   0 16.151  32.302   0.181   23.07    2       80.6      410.8
   30   2  -1   1 16.178  32.357   0.181   22.98    2       21.0       27.8
   31  -2  -1   1 16.2    32.4     0.181   22.92    2       20.6       26.6
   32  -1   2   1 16.859  33.718   0.188   21.02    2       21.5       26.5
   33  -2   2   1 16.863  33.726   0.188   21.01    2       19.7       22.3
   34   1  -3   1 17.054  34.108   0.19    20.5     2       16.9       16.1
   35   1   1   1 17.697  35.393   0.197   18.91    2       70.4      256.5
   36  -3   1   1 17.714  35.429   0.198   18.87    2       70.4      256.4
   37   2  -3   1 18.126  36.252   0.202   17.94    2       14.5       10.4
   38   0  -3   1 18.137  36.274   0.202   17.92    2       15.9       12.4
   39   3   0   0 18.196  36.393   0.203   17.79    2       82.1      328.7
   40  -3   3   0 18.342  36.685   0.204   17.48    2      104.8      526.3
   41   0   3   0 18.345  36.69    0.204   17.47    2      104.8      526.0
   42   2   0   1 18.538  37.075   0.206   17.08    2       33.9       53.7
   43  -3   0   1 18.56   37.121   0.207   17.03    2       33.3       51.6
   44   0   2   1 18.976  37.952   0.211   16.22    2       32.3       46.3
   45  -3   2   1 18.988  37.975   0.211   16.2     2       35.1       54.8
   46   3  -2   1 20.223  40.446   0.224   14.08    2       78.1      235.4
   47  -2  -2   1 20.247  40.493   0.225   14.05    2       78.3      235.8
   48   3  -3   1 21.069  42.138   0.233   12.85    2       44.8       70.7
   49  -1  -3   1 21.088  42.177   0.234   12.83    2       44.5       69.5
   50   0  -1   2 21.144  42.287   0.234   12.75    2       80.3      225.5
   51  -1  -1   2 21.152  42.304   0.234   12.74    2       81.4      231.3
   52  -2   3   1 21.158  42.316   0.234   12.73    2      124.4      539.8
   53  -4   2   0 21.192  42.385   0.235   12.68    2       27.0       25.3
   54   2   2   0 21.195  42.391   0.235   12.68    2       30.2       31.7
   55   3  -1   1 21.284  42.567   0.236   12.56    2       37.0       47.1
   56  -3  -1   1 21.309  42.619   0.236   12.53    2       35.8       43.9
   57  -2   4   0 21.367  42.733   0.236   12.45    2       27.8       26.3
   58  -1   0   2 21.465  42.931   0.238   12.33    2       60.2      122.2
   59   0  -2   2 21.772  43.545   0.241   11.94    2       72.1      170.0
   60   2  -4   1 21.922  43.843   0.242   11.76    2       48.9       77.1
   61   1  -4   1 21.927  43.853   0.242   11.75    2       48.0       74.1
   62  -4   1   0 22.056  44.113   0.244   11.6     2       58.0      107.0
   63   3   1   0 22.058  44.116   0.244   11.59    2       60.5      116.5
   64  -1   3   1 22.062  44.123   0.244   11.59    2        3.5        0.4
   65  -3   3   1 22.068  44.136   0.244   11.58    2        8.1        2.1
   66  -4   3   0 22.167  44.334   0.245   11.47    2       45.9       66.2
   67   1   3   0 22.171  44.342   0.245   11.46    2       46.2       67.1
   68  -3   4   0 22.265  44.531   0.246   11.35    2       17.8        9.9
   69  -1   4   0 22.267  44.535   0.246   11.35    2       20.3       12.8
   70   0   0   2 22.354  44.708   0.247   11.25    2       11.6        4.2
   71  -2   0   2 22.37   44.739   0.247   11.23    2       17.5        9.4
   72   2   1   1 22.507  45.014   0.248   11.08    2       71.8      156.5
   73  -4   1   1 22.529  45.058   0.249   11.05    2       74.7      169.1
   74   1  -2   2 22.651  45.302   0.25    10.92    2       24.4       17.9
   75  -1  -2   2 22.667  45.335   0.25    10.9     2       21.5       13.9
   76   1   2   1 22.709  45.418   0.251   10.86    2       32.5       31.4
   77  -4   2   1 22.726  45.452   0.251   10.84    2       32.9       32.2
   78   1  -1   2 22.921  45.842   0.253   10.63    2      115.0      385.2
   79  -2  -1   2 22.945  45.889   0.253   10.61    2      114.2      379.1
   80  -1   1   2 23.549  47.098   0.259   10.0     2       28.4       22.0
   81  -2   1   2 23.556  47.113   0.259    9.99    2       28.8       22.8
   82   3  -4   1 23.656  47.311   0.26     9.9     2       81.8      181.3
   83   0  -4   1 23.67   47.339   0.261    9.89    2       79.8      172.4
   84   3   0   1 24.047  48.093   0.265    9.54    2       49.9       65.1
   85  -4   0   1 24.072  48.145   0.265    9.51    2       51.9       70.1
   86   1  -3   2 24.117  48.235   0.265    9.47    2       20.5       10.9
   87   0  -3   2 24.126  48.251   0.265    9.47    2       20.7       11.1
   88   4   0   0 24.605  49.211   0.27     9.05    2      111.9      310.6
   89   0   3   1 24.619  49.238   0.27     9.04    2       79.8      157.8
   90  -4   3   1 24.631  49.262   0.271    9.03    2       79.9      157.9
   91  -4   4   0 24.809  49.617   0.272    8.88    2       19.3        9.1
   92   0   4   0 24.812  49.625   0.272    8.88    2       17.9        7.8
   93   1   0   2 24.884  49.768   0.273    8.82    2       56.5       77.2
   94  -3   0   2 24.913  49.826   0.273    8.8     2       54.9       72.7
   95   2  -2   2 25.158  50.315   0.276    8.61    2       50.6       60.4
   96  -2  -2   2 25.188  50.376   0.276    8.58    2       50.2       59.2
   97   0   1   2 25.194  50.388   0.276    8.58    2       38.9       35.5
   98  -3   1   2 25.214  50.429   0.277    8.56    2       38.6       35.0
   99   4  -3   1 25.353  50.706   0.278    8.46    2       27.9       18.0
  100  -2  -3   1 25.378  50.757   0.278    8.44    2       27.6       17.6
  101   4  -2   1 25.434  50.868   0.279    8.39    2       84.5      164.4
  102  -3  -2   1 25.462  50.924   0.279    8.37    2       85.5      167.7
  103   2  -3   2 25.734  51.468   0.282    8.17    2       62.4       87.2
  104  -1  -3   2 25.757  51.514   0.282    8.16    2       62.0       85.8
  105   2  -1   2 26.2    52.399   0.287    7.85    2       32.6       22.8
  106  -3  -1   2 26.235  52.471   0.287    7.82    2       34.9       26.0
  107  -2   2   2 26.322  52.643   0.288    7.76    2      156.4      520.3
  108  -2   4   1 26.452  52.904   0.289    7.68    2       49.9       52.3
  109  -3   4   1 26.455  52.909   0.289    7.68    2       47.9       48.2
  110   2  -5   1 26.85   53.7     0.293    7.42    2      115.4      270.9
  111   4  -4   1 26.87   53.74    0.293    7.41    2       28.3       16.3
  112  -1  -4   1 26.891  53.782   0.294    7.39    2       28.2       16.1
  113  -5   2   0 27.029  54.059   0.295    7.31    2       47.6       45.4
  114   3   2   0 27.033  54.065   0.295    7.31    2       45.0       40.6
  115  -1   2   2 27.088  54.177   0.296    7.27    2       15.7        4.9
  116  -5   3   0 27.089  54.178   0.296    7.27    2      117.8      276.6
  117   2   3   0 27.093  54.187   0.296    7.27    2      119.4      283.8
  118  -3   2   2 27.101  54.202   0.296    7.26    2       15.2        4.6
  119   4  -1   1 27.102  54.204   0.296    7.26    2       53.9       57.9
  120   1  -4   2 27.107  54.214   0.296    7.26    2      121.4      293.1
  121  -4  -1   1 27.131  54.262   0.296    7.25    2       52.4       54.5
  122  -3   5   0 27.282  54.565   0.298    7.16    2       33.9       22.5
  123  -2   5   0 27.283  54.567   0.298    7.15    2       33.3       21.8
  124   2   2   1 27.555  55.111   0.3      7.0     2        5.4        0.6
  125  -5   2   1 27.576  55.152   0.3      6.98    2        9.5        1.7
  126   3  -5   1 27.608  55.217   0.301    6.96    2       32.5       20.2
  127   1  -5   1 27.617  55.234   0.301    6.96    2       31.6       19.0
  128   2  -4   2 27.858  55.715   0.303    6.82    2       20.9        8.1
  129   0  -4   2 27.873  55.745   0.303    6.82    2       17.9        6.0
  130  -1   4   1 27.976  55.952   0.305    6.76    2      103.8      199.7
  131  -4   4   1 27.984  55.967   0.305    6.75    2      103.5      198.1
  132   3   1   1 28.133  56.266   0.306    6.67    2       62.9       72.4
  133  -5   1   1 28.158  56.316   0.306    6.66    2       61.7       69.4
  134   1   1   2 28.279  56.558   0.308    6.6     2       49.4       44.2
  135  -4   1   2 28.311  56.621   0.308    6.58    2       49.8       44.7
  136   1   3   1 28.5    57.0     0.31     6.48    2       29.1       15.0
  137  -5   1   0 28.501  57.002   0.31     6.48    2       41.3       30.3
  138   4   1   0 28.503  57.005   0.31     6.48    2       39.9       28.3
  139  -5   3   1 28.516  57.032   0.31     6.47    2       25.1       11.2
  140  -5   4   0 28.673  57.346   0.311    6.39    2       48.8       41.7
  141   1   4   0 28.678  57.356   0.312    6.39    2       48.4       41.0
  142   2   0   2 28.736  57.471   0.312    6.36    2       20.2        7.1
  143  -4   0   2 28.775  57.549   0.312    6.34    2       23.0        9.2
  144   3  -3   2 28.778  57.556   0.312    6.34    2       36.6       23.3
  145  -4   5   0 28.778  57.556   0.312    6.34    2       66.9       77.8
  146  -1   5   0 28.781  57.562   0.313    6.34    2       66.1       75.9
  147  -2  -3   2 28.814  57.627   0.313    6.32    2       36.9       23.5
  148   3  -2   2 28.983  57.966   0.315    6.24    2       38.0       24.7
  149  -3  -2   2 29.024  58.049   0.315    6.22    2       40.8       28.4
  150   0   2   2 29.319  58.637   0.318    6.08    2       73.9       90.9
  151  -4   2   2 29.343  58.685   0.318    6.07    2       73.2       89.2
  152   4  -5   1 29.815  59.629   0.323    5.85    2      108.7      189.6
  153   0  -5   1 29.831  59.663   0.323    5.85    2      110.3      195.0
  154   3  -4   2 30.049  60.099   0.325    5.75    2       90.3      128.7
  155  -1  -4   2 30.078  60.156   0.325    5.74    2       91.1      130.5
  156   4   0   1 30.176  60.353   0.326    5.7     2       38.6       23.2
  157  -5   0   1 30.205  60.41    0.327    5.69    2       36.2       20.5
  158  -2   3   2 30.364  60.727   0.328    5.62    2       12.1        2.2
  159  -3   3   2 30.369  60.739   0.328    5.62    2       12.0        2.2
  160   5  -3   1 30.601  61.202   0.33     5.52    2       22.0        7.3
  161  -3  -3   1 30.631  61.262   0.331    5.51    2       24.0        8.7
  162   3  -1   2 30.646  61.293   0.331    5.51    2      137.3      284.5
  163  -4  -1   2 30.692  61.383   0.331    5.49    2      138.0      286.3
  164   0   4   1 30.876  61.753   0.333    5.41    2       50.5       37.8
  165  -5   4   1 30.888  61.776   0.333    5.41    2       52.8       41.4
  166   5  -4   1 31.256  62.512   0.337    5.27    2       68.8       68.5
  167  -2  -4   1 31.283  62.567   0.337    5.26    2       68.3       67.3
  168   2  -5   2 31.318  62.637   0.337    5.25    2       16.1        3.7
  169   1  -5   2 31.325  62.651   0.337    5.25    2       16.9        4.1
  170   5   0   0 31.363  62.726   0.338    5.23    2       47.5       32.4
  171   5  -2   1 31.376  62.751   0.338    5.23    2       27.6       10.9
  172  -4  -2   1 31.407  62.814   0.338    5.22    2       26.7       10.2
  173  -5   5   0 31.634  63.268   0.34     5.13    2       44.4       27.7
  174   0   5   0 31.639  63.277   0.34     5.13    2       46.1       29.9
  175  -1   3   2 31.763  63.525   0.342    5.09    2        6.8        0.7
  176  -4   3   2 31.779  63.559   0.342    5.08    2        6.9        0.7
  177  -3   5   1 31.806  63.612   0.342    5.07    2        9.5        1.3
  178  -1  -1   3 32.422  64.844   0.348    4.87    2       44.6       26.5
  179  -2   5   1 32.493  64.986   0.349    4.84    2        6.2        0.5
  180  -4   5   1 32.497  64.994   0.349    4.84    2        9.9        1.3
  181   2   1   2 32.543  65.086   0.349    4.83    2       37.0       18.1
  182  -5   1   2 32.584  65.168   0.35     4.81    2       38.5       19.5
  183   3  -6   1 32.617  65.234   0.35     4.8     2       13.0        2.2
  184   2  -6   1 32.621  65.243   0.35     4.8     2       12.6        2.1
  185   3  -5   2 32.693  65.385   0.351    4.78    2       14.7        2.8
  186   0  -5   2 32.714  65.427   0.351    4.77    2       13.3        2.3
  187   0  -2   3 32.762  65.524   0.351    4.76    2       27.4        9.8
  188  -1  -2   3 32.772  65.543   0.351    4.75    2       27.3        9.7
  189   1   2   2 32.826  65.652   0.352    4.74    2       67.3       58.9
  190  -6   3   0 32.837  65.674   0.352    4.73    2       19.6        5.0
  191   3   3   0 32.842  65.684   0.352    4.73    2       17.7        4.1
  192  -5   2   2 32.86   65.719   0.352    4.73    2       66.8       57.8
  193   4  -3   2 33.002  66.004   0.354    4.68    2       12.1        1.9
  194  -3  -3   2 33.048  66.096   0.354    4.67    2       11.3        1.6
  195   0  -1   3 33.095  66.19    0.354    4.66    2       11.6        1.7
  196  -2  -1   3 33.113  66.227   0.355    4.65    2        9.6        1.2
  197  -3   6   0 33.127  66.255   0.355    4.65    2       68.2       59.3
  198   3   2   1 33.251  66.502   0.356    4.61    2       43.3       23.7
  199  -6   2   1 33.275  66.549   0.356    4.6     2       44.1       24.6
  200   5  -5   1 33.293  66.586   0.356    4.6     2       40.5       20.7
  201  -1  -5   1 33.317  66.633   0.357    4.59    2       38.8       18.9
  202   2   3   1 33.428  66.857   0.358    4.56    2       72.6       65.9
  203  -6   3   1 33.448  66.896   0.358    4.55    2       72.1       64.9
  204  -1   0   3 33.457  66.913   0.358    4.55    2       53.3       35.4
  205  -6   2   0 33.462  66.925   0.358    4.55    2       37.0       17.1
  206  -2   0   3 33.466  66.931   0.358    4.55    2       52.2       33.9
  207   4   2   0 33.466  66.932   0.358    4.55    2       36.8       16.8
  208   4  -4   2 33.511  67.022   0.358    4.53    2       53.4       35.5
  209   5  -1   1 33.524  67.048   0.358    4.53    2       19.4        4.7
  210  -2  -4   2 33.551  67.103   0.359    4.52    2       53.2       35.0
  211  -5  -1   1 33.555  67.111   0.359    4.52    2       19.1        4.5
  212  -6   4   0 33.588  67.176   0.359    4.51    2       13.0        2.1
  213   2   4   0 33.594  67.188   0.359    4.51    2        9.9        1.2
  214   3   0   2 33.64   67.28    0.36     4.5     2       42.3       22.0
  215  -5   0   2 33.688  67.375   0.36     4.48    2       41.6       21.2
  216  -4   6   0 33.801  67.602   0.361    4.45    2       20.7        5.2
  217  -2   6   0 33.803  67.607   0.361    4.45    2       16.3        3.3
  218   0  -3   3 33.806  67.612   0.361    4.45    2       75.1       68.7
  219   4  -2   2 33.866  67.732   0.362    4.44    2       29.3       10.4
  220  -4  -2   2 33.917  67.833   0.362    4.42    2       27.0        8.8
  221   4  -6   1 33.966  67.932   0.363    4.41    2       40.3       19.6
  222   1  -6   1 33.978  67.957   0.363    4.4     2       39.8       19.1
  223   1  -2   3 34.103  68.206   0.364    4.37    2       35.1       14.8
  224  -2  -2   3 34.131  68.262   0.364    4.36    2       33.5       13.4
  225   4   1   1 34.438  68.876   0.367    4.28    2       62.2       45.5
  226   1  -3   3 34.465  68.929   0.367    4.28    2       30.8       11.1
  227  -6   1   1 34.465  68.931   0.367    4.28    2       62.5       45.7
  228   0   3   2 34.472  68.943   0.367    4.28    2       19.8        4.6
  229  -1  -3   3 34.483  68.967   0.368    4.27    2       32.5       12.4
  230  -5   3   2 34.498  68.996   0.368    4.27    2       23.7        6.5
  231  -1   5   1 34.515  69.029   0.368    4.26    2       33.0       12.7
  232  -5   5   1 34.523  69.045   0.368    4.26    2       32.5       12.3
  233   0   0   3 34.785  69.569   0.37     4.2     2       85.6       84.2
  234  -3   4   2 34.798  69.596   0.37     4.19    2       35.1       14.2
  235  -3   0   3 34.811  69.622   0.371    4.19    2       84.8       82.6
  236   1   4   1 34.96   69.92    0.372    4.15    2       92.2       96.9
  237  -6   4   1 34.975  69.951   0.372    4.15    2       90.8       93.8
  238   1  -1   3 35.092  70.185   0.373    4.12    2       10.5        1.2
  239  -3  -1   3 35.128  70.256   0.374    4.11    2       11.6        1.5
  240  -2   1   3 35.167  70.334   0.374    4.11    2        8.7        0.9
  241   4  -5   2 35.364  70.728   0.376    4.06    2       21.5        5.1
  242  -1  -5   2 35.398  70.795   0.376    4.05    2       19.1        4.0
  243  -6   1   0 35.429  70.857   0.376    4.04    2       48.6       26.1
  244   5   1   0 35.431  70.861   0.376    4.04    2       48.2       25.7
  245  -2   4   2 35.453  70.905   0.377    4.04    2       16.7        3.1
  246  -4   4   2 35.463  70.925   0.377    4.04    2       20.3        4.5
  247  -6   5   0 35.674  71.347   0.379    3.99    2       21.4        5.0
  248   1   5   0 35.68   71.36    0.379    3.99    2       20.8        4.7
  249  -5   6   0 35.788  71.575   0.38     3.96    2       44.9       21.9
  250  -1   6   0 35.792  71.584   0.38     3.96    2       46.5       23.5
  251  -1   1   3 35.815  71.63    0.38     3.96    2       16.1        2.8
  252  -3   1   3 35.832  71.664   0.38     3.96    2       14.4        2.2
  253   2  -6   2 35.912  71.824   0.381    3.94    2       29.8        9.6
  254   4  -1   2 36.056  72.111   0.382    3.91    2       17.7        3.4
  255  -5  -1   2 36.109  72.218   0.383    3.9     2       15.3        2.5
  256   1  -4   3 36.159  72.317   0.383    3.89    2       14.0        2.1
  257   0  -4   3 36.168  72.336   0.383    3.88    2       16.6        2.9
  258   2  -3   3 36.427  72.854   0.385    3.83    2       80.4       67.9
  259  -2  -3   3 36.463  72.927   0.386    3.82    2       82.2       70.9
  260   3  -6   2 36.556  73.112   0.387    3.81    2        2.7        0.1
  261   1  -6   2 36.57   73.14    0.387    3.8     2        4.6        0.2
  262   5  -6   1 36.596  73.193   0.387    3.8     2       16.0        2.7
  263   0  -6   1 36.616  73.232   0.387    3.79    2       15.6        2.5
  264   6  -4   1 36.621  73.243   0.387    3.79    2       23.3        5.6
  265  -3  -4   1 36.654  73.307   0.388    3.79    2       27.0        7.6
  266   6  -3   1 36.667  73.333   0.388    3.78    2       29.0        8.7
  267  -4  -3   1 36.701  73.401   0.388    3.78    2       25.2        6.6
  268   2  -2   3 36.724  73.448   0.388    3.77    2       21.7        4.9
  269  -3  -2   3 36.769  73.537   0.389    3.76    2       20.8        4.5
  270   5   0   1 36.928  73.856   0.39     3.73    2       15.4        2.4
  271  -6   0   1 36.959  73.919   0.39     3.73    2       14.6        2.2
  272   1   0   3 37.385  74.771   0.394    3.65    2       48.0       23.1
  273  -1   4   2 37.397  74.794   0.394    3.65    2       41.6       17.3
  274  -5   4   2 37.417  74.834   0.394    3.64    2       43.2       18.6
  275  -4   0   3 37.428  74.856   0.395    3.64    2       45.7       20.9
  276   2   2   2 37.442  74.884   0.395    3.64    2       75.4       56.7
  277   2  -4   3 37.444  74.887   0.395    3.64    2       24.3        5.9
  278  -1  -4   3 37.471  74.943   0.395    3.63    2       24.6        6.0
  279  -6   2   2 37.485  74.969   0.395    3.63    2       73.5       53.8
  280   0   1   3 37.749  75.498   0.397    3.59    2       22.5        5.0
  281   0   5   1 37.773  75.546   0.398    3.58    2       30.4        9.1
  282  -4   1   3 37.782  75.564   0.398    3.58    2       21.5        4.5
  283  -6   5   1 37.784  75.569   0.398    3.58    2       31.6        9.8
  284   3   1   2 37.818  75.636   0.398    3.57    2       29.8        8.7
  285  -6   1   2 37.867  75.734   0.398    3.57    2       31.5        9.7
  286   6  -5   1 37.885  75.771   0.399    3.56    2       52.1       26.5
  287  -2  -5   1 37.915  75.83    0.399    3.56    2       51.7       26.1
  288  -3   6   1 38.004  76.008   0.4      3.54    2       45.1       19.8
  289  -4   6   1 38.006  76.012   0.4      3.54    2       46.5       21.0
  290   6  -2   1 38.019  76.039   0.4      3.54    2       61.7       36.9
  291  -5  -2   1 38.054  76.109   0.4      3.53    2       62.4       37.7
  292   5  -4   2 38.089  76.178   0.4      3.53    2       62.2       37.4
  293  -2   2   3 38.139  76.278   0.401    3.52    2       38.0       13.9
  294  -3  -4   2 38.14   76.28    0.401    3.52    2       61.5       36.5
  295  -3   2   3 38.147  76.295   0.401    3.52    2       39.1       14.7
  296   5  -3   2 38.248  76.496   0.402    3.5     2       26.3        6.7
  297  -4  -3   2 38.304  76.607   0.402    3.49    2       31.4        9.4
  298   2  -1   3 38.324  76.648   0.403    3.49    2       23.6        5.3
  299   1   3   2 38.368  76.735   0.403    3.48    2       10.4        1.0
  300  -4  -1   3 38.376  76.752   0.403    3.48    2       21.0        4.2
  301  -6   3   2 38.403  76.807   0.403    3.48    2        8.3        0.7
  302   4  -6   2 38.478  76.955   0.404    3.47    2       50.0       23.8
  303   0  -6   2 38.504  77.009   0.404    3.46    2       51.4       25.1
  304   3  -7   1 38.548  77.096   0.405    3.46    2       77.4       56.8
  305   6   0   0 38.649  77.298   0.405    3.44    2       22.1        4.6
  306  -6   6   0 39.005  78.01    0.409    3.39    2       49.0       22.3
  307   0   6   0 39.011  78.022   0.409    3.39    2       47.4       20.9
  308   1  -5   3 39.116  78.232   0.41     3.37    2       72.8       49.0
  309   4  -7   1 39.179  78.359   0.41     3.36    2       17.1        2.7
  310   2  -7   1 39.187  78.375   0.41     3.36    2       14.6        2.0
  311   5  -5   2 39.224  78.448   0.41     3.36    2       11.8        1.3
  312  -2  -5   2 39.269  78.539   0.411    3.35    2       11.8        1.3
  313  -2   6   1 39.275  78.551   0.411    3.35    2       59.4       32.4
  314  -5   6   1 39.281  78.561   0.411    3.35    2       60.6       33.7
  315   3   3   1 39.288  78.575   0.411    3.35    2       18.6        3.2
  316  -7   3   1 39.31   78.621   0.411    3.35    2       20.0        3.7
  317  -7   3   0 39.37   78.741   0.412    3.34    2       65.9       39.7
  318   4   3   0 39.376  78.752   0.412    3.34    2       65.5       39.2
  319  -1   2   3 39.403  78.806   0.412    3.33    2       37.2       12.7
  320  -4   2   3 39.427  78.854   0.412    3.33    2       36.6       12.2
  321  -7   4   0 39.439  78.879   0.412    3.33    2       26.0        6.1
  322   3   4   0 39.446  78.893   0.412    3.33    2       25.6        6.0
  323   4   0   2 39.483  78.966   0.413    3.32    2       25.4        5.9
  324  -6   0   2 39.539  79.078   0.413    3.31    2       26.8        6.5
  325   3  -3   3 39.618  79.236   0.414    3.3     2       44.9       18.3
  326  -3  -3   3 39.671  79.342   0.414    3.3     2       45.0       18.3
  327   5  -2   2 39.696  79.391   0.415    3.29    2       25.0        5.6
  328   2  -5   3 39.739  79.479   0.415    3.29    2       15.4        2.1
  329   4   2   1 39.754  79.508   0.415    3.29    2       22.1        4.4
  330  -5  -2   2 39.755  79.51    0.415    3.29    2       26.5        6.3
  331   0  -5   3 39.758  79.516   0.415    3.29    2       17.3        2.7
  332  -4   7   0 39.769  79.539   0.415    3.28    2       32.2        9.4
  333  -3   7   0 39.771  79.541   0.415    3.28    2       31.2        8.7
  334  -7   2   1 39.781  79.561   0.415    3.28    2       20.9        3.9
  335   3  -4   3 39.98   79.959   0.417    3.26    2       23.0        4.7
  336  -2  -4   3 40.025  80.05    0.417    3.25    2       23.3        4.8
  337   2   4   1 40.105  80.21    0.418    3.24    2       29.9        7.9
  338  -7   4   1 40.124  80.247   0.418    3.24    2       30.8        8.4
  339  -3   5   2 40.267  80.535   0.42     3.22    2       48.9       21.1
  340  -4   5   2 40.272  80.544   0.42     3.22    2       45.9       18.6
  341   6  -6   1 40.418  80.836   0.421    3.2     2        6.4        0.4
  342  -1  -6   1 40.445  80.889   0.421    3.2     2        6.6        0.4
  343   3  -2   3 40.537  81.074   0.422    3.19    2       19.0        3.2
  344   0   4   2 40.567  81.135   0.422    3.19    2       23.6        4.9
  345  -7   2   0 40.583  81.165   0.422    3.18    2       45.2       17.9
  346   5   2   0 40.587  81.174   0.422    3.18    2       46.5       18.9
  347  -6   4   2 40.597  81.193   0.422    3.18    2       21.6        4.1
  348  -4  -2   3 40.598  81.195   0.422    3.18    2       18.4        2.9
  349   6  -1   1 40.637  81.275   0.423    3.18    2       31.3        8.5
  350  -6  -1   1 40.673  81.345   0.423    3.17    2       32.8        9.3
  351  -7   5   0 40.788  81.576   0.424    3.16    2       13.7        1.6
  352   2   5   0 40.796  81.591   0.424    3.16    2       17.3        2.6
  353   1   1   3 40.908  81.816   0.425    3.15    2       21.8        4.1
  354  -5   1   3 40.957  81.914   0.425    3.14    2       23.9        4.9
  355  -5   7   0 41.026  82.052   0.426    3.14    2       39.6       13.4
  356  -2   7   0 41.03   82.059   0.426    3.13    2       38.3       12.6
  357   5  -7   1 41.065  82.131   0.426    3.13    2       67.4       39.0
  358   1  -7   1 41.081  82.163   0.427    3.13    2       68.4       40.1
  359   2   0   3 41.18   82.36    0.427    3.12    2       67.2       38.6
  360  -5   0   3 41.238  82.476   0.428    3.11    2       66.9       38.2
  361   5   1   1 41.493  82.986   0.43     3.09    2       35.4       10.6
  362  -2   5   2 41.517  83.034   0.43     3.08    2       51.4       22.3
  363  -7   1   1 41.524  83.048   0.43     3.08    2       35.8       10.8
  364  -5   5   2 41.531  83.062   0.43     3.08    2       50.6       21.6
  365   3  -7   2 41.541  83.082   0.43     3.08    2       55.2       25.7
  366   2  -7   2 41.548  83.095   0.431    3.08    2       55.8       26.3
  367   3  -5   3 41.614  83.229   0.431    3.07    2       64.9       35.5
  368   5  -6   2 41.623  83.247   0.431    3.07    2       27.0        6.1
  369  -1  -5   3 41.651  83.302   0.431    3.07    2       65.4       36.0
  370  -1  -6   2 41.663  83.326   0.431    3.07    2       27.9        6.5
  371  -3   3   3 41.691  83.382   0.432    3.07    2      103.8       90.6
  372  -1   6   1 41.788  83.576   0.433    3.06    2       23.0        4.4
  373  -6   6   1 41.797  83.593   0.433    3.06    2       24.1        4.9
  374   0   2   3 41.908  83.815   0.434    3.05    2       19.9        3.3
  375  -5   2   3 41.947  83.895   0.434    3.04    2       23.2        4.5
  376   1   5   1 42.188  84.377   0.436    3.02    2       18.5        2.8
  377  -7   5   1 42.204  84.407   0.436    3.02    2       21.2        3.7
  378  -2   3   3 42.307  84.615   0.437    3.01    2       24.2        4.8
  379  -4   3   3 42.323  84.646   0.437    3.01    2       22.3        4.1
  380   5  -1   2 42.399  84.798   0.438    3.0     2       85.2       59.8
  381  -6  -1   2 42.461  84.923   0.438    3.0     2       82.8       56.3
  382   3  -1   3 42.719  85.438   0.44     2.98    2       32.8        8.8
  383   4  -7   2 42.782  85.564   0.441    2.97    2       50.6       20.8
  384  -5  -1   3 42.787  85.573   0.441    2.97    2       32.3        8.5
  385   1  -7   2 42.802  85.604   0.441    2.97    2       49.4       19.8
  386   7  -4   1 42.943  85.886   0.442    2.96    2       71.4       41.4
  387  -4  -4   1 42.981  85.962   0.443    2.96    2       70.1       39.7
  388  -7   1   0 43.054  86.107   0.443    2.95    2       49.2       19.5
  389   6   1   0 43.056  86.112   0.443    2.95    2       47.1       17.9
  390   3   2   2 43.11   86.22    0.444    2.95    2       43.1       15.0
  391  -7   2   2 43.162  86.323   0.444    2.94    2       40.3       13.1
  392   2  -6   3 43.267  86.534   0.445    2.93    2       49.0       19.3
  393   1  -6   3 43.276  86.553   0.445    2.93    2       50.0       20.1
  394   2   3   2 43.387  86.775   0.446    2.93    2       29.4        6.9
  395  -7   6   0 43.392  86.784   0.446    2.93    2       42.6       14.6
  396   1   6   0 43.4    86.801   0.446    2.92    2       43.5       15.2
  397  -7   3   2 43.432  86.864   0.446    2.92    2       30.6        7.5
  398  -6   7   0 43.52   87.04    0.447    2.92    2       22.6        4.1
  399  -1   7   0 43.526  87.052   0.447    2.92    2       22.0        3.9
  400   7  -5   1 43.541  87.083   0.447    2.91    2       63.1       31.8
  401  -3  -5   1 43.577  87.155   0.447    2.91    2       62.5       31.2
  402   7  -3   1 43.609  87.217   0.448    2.91    2       43.8       15.3
  403  -5  -3   1 43.648  87.296   0.448    2.91    2       46.6       17.3
  404   4  -4   3 43.721  87.441   0.449    2.9     2        6.6        0.3
  405   6  -4   2 43.737  87.473   0.449    2.9     2       53.0       22.3
  406  -3  -4   3 43.783  87.566   0.449    2.9     2        5.9        0.3
  407  -4  -4   2 43.798  87.597   0.449    2.9     2       52.3       21.7
  408   4  -3   3 43.986  87.972   0.451    2.89    2       42.9       14.6
  409  -1   5   2 44.004  88.008   0.451    2.88    2       34.9        9.6
  410  -6   5   2 44.027  88.055   0.451    2.88    2       31.9        8.0
  411  -4  -3   3 44.056  88.112   0.451    2.88    2       43.3       14.8
  412   4   1   2 44.095  88.191   0.452    2.88    2       33.7        8.9
  413  -7   1   2 44.154  88.308   0.452    2.87    2       33.8        9.0
  414  -1   3   3 44.166  88.332   0.452    2.87    2       74.5       43.7
  415   6  -7   1 44.178  88.356   0.452    2.87    2       31.1        7.6
  416  -5   3   3 44.197  88.394   0.453    2.87    2       73.1       42.1
  417   0  -7   1 44.201  88.403   0.453    2.87    2       32.2        8.2
  418   6  -5   2 44.223  88.446   0.453    2.87    2       33.1        8.6
  419  -3  -5   2 44.28   88.56    0.453    2.87    2       32.5        8.3
  420   6   0   1 44.481  88.962   0.455    2.86    2       36.5       10.4
  421   3  -6   3 44.501  89.001   0.455    2.85    2       79.8       49.8
  422   6  -3   2 44.512  89.025   0.455    2.85    2       48.1       18.1
  423  -7   0   1 44.517  89.034   0.455    2.85    2       33.9        9.0
  424  -4   7   1 44.521  89.043   0.455    2.85    2       76.6       45.9
  425   0  -6   3 44.528  89.057   0.455    2.85    2       78.2       47.8
  426  -5  -3   2 44.578  89.157   0.456    2.85    2       47.6       17.7
  427   4  -5   3 44.717  89.434   0.457    2.84    2       28.0        6.1
  428  -2  -5   3 44.772  89.543   0.457    2.84    2       25.9        5.2
  429   1   4   2 44.926  89.852   0.458    2.83    2       35.5        9.8
  430  -7   4   2 44.964  89.929   0.459    2.83    2       36.7       10.5


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

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

    1   1   0   0   5.975  11.95   7.40004      152.2      6.8      6.8     5.6
    2   0   1   0   6.022  12.044  7.34216       72.5      3.2      3.2     5.6
    3   1   1   0  10.415  20.83   4.26099      524.6     23.3     23.4     5.6
    4  -1   2   0  10.496  20.992  4.22842      298.8     13.3     13.3     5.6
    5   0  -1   1  10.688  21.376  4.15336      454.3     20.2     20.2     5.6
    6   0   0   1  10.962  21.925  4.05059      531.4     23.6     23.7     5.6
    7   2   0   0  12.016  24.032  3.70002     2250.3    100.0    100.0     5.6
    8  -2   2   0  12.11   24.221  3.67158      108.5      4.8      4.8     5.6
    9   1  -1   1  12.272  24.544  3.62392       55.7      2.5      2.5     5.6
   10  -1   1   1  12.809  25.618  3.47436     2116.3     94.0     93.9     5.6
   11   0  -2   1  13.518  27.036  3.29526      974.0     43.3     43.2     5.6
   12   1   0   1  13.909  27.818  3.20436       29.3      1.3      1.3     5.6
   13  -2   1   1  14.183  28.366  3.1438       352.0     15.6     15.6     5.6
   14  -1  -2   1  16.042  32.084  2.78742     2250.0    100.0     99.3     5.6
   15  -1   3   0  16.151  32.302  2.76908      826.1     36.7     36.5     5.6
   16  -2  -1   1  16.2    32.4    2.76093       26.6      1.2      1.2     5.6
   17  -1   2   1  16.859  33.718  2.65601       48.9      2.2      2.2     5.7
   18   1   1   1  17.697  35.393  2.53399      512.8     22.8     22.6     5.7
   19   0  -3   1  18.137  36.274  2.4745        22.8      1.0      1.0     5.7
   20   3   0   0  18.196  36.393  2.46668      328.7     14.6     14.5     5.7
   21  -3   3   0  18.342  36.685  2.44772     1052.4     46.8     46.3     5.7
   22   2   0   1  18.538  37.075  2.42283      105.3      4.7      4.6     5.7
   23  -3   2   1  18.988  37.975  2.36744      101.0      4.5      4.4     5.7
   24  -2  -2   1  20.247  40.493  2.22584      471.1     20.9     20.6     5.7
   25   3  -3   1  21.069  42.138  2.14269      140.1      6.2      6.1     5.7
   26  -2   3   1  21.158  42.316  2.13407      996.6     44.3     43.6     5.7
   27   2   2   0  21.195  42.391  2.1305        57.0      2.5      2.5     5.7
   28   3  -1   1  21.284  42.567  2.12207       91.0      4.0      4.0     5.7
   29  -2   4   0  21.367  42.733  2.11421       26.3      1.2      1.1     5.7
   30  -1   0   2  21.465  42.931  2.10494      122.2      5.4      5.3     5.7
   31   0  -2   2  21.772  43.545  2.07668      170.0      7.6      7.4     5.7
   32   2  -4   1  21.922  43.843  2.06322      151.2      6.7      6.6     5.7
   33   3   1   0  22.058  44.116  2.05109      226.0     10.0      9.9     5.7
   34   1   3   0  22.171  44.342  2.04118      133.3      5.9      5.8     5.7
   35  -1   4   0  22.267  44.535  2.03278       22.7      1.0      1.0     5.7
   36  -4   1   1  22.529  45.058  2.0104       325.6     14.5     14.2     5.7
   37   1  -2   2  22.651  45.302  2.00012       31.7      1.4      1.4     5.7
   38  -4   2   1  22.726  45.452  1.99389       63.5      2.8      2.8     5.7
   39   1  -1   2  22.921  45.842  1.97781      764.2     34.0     33.3     5.7
   40  -2   1   2  23.556  47.113  1.92739       44.8      2.0      1.9     5.7
   41   3  -4   1  23.656  47.311  1.91976      353.7     15.7     15.4     5.7
   42  -4   0   1  24.072  48.145  1.88845      135.2      6.0      5.9     5.7
   43   4   0   0  24.605  49.211  1.85001      626.2     27.8     27.2     5.7
   44   1   0   2  24.884  49.768  1.83058      149.9      6.7      6.5     5.7
   45   2  -2   2  25.158  50.315  1.81196       60.4      2.7      2.6     5.8
   46  -2  -2   2  25.188  50.376  1.80992      129.8      5.8      5.6     5.8
   47   4  -3   1  25.353  50.706  1.79889       35.6      1.6      1.5     5.8
   48  -3  -2   1  25.462  50.924  1.79172      332.1     14.8     14.4     5.8
   49   2  -3   2  25.734  51.468  1.77404      173.1      7.7      7.5     5.8
   50   2  -1   2  26.2    52.399  1.74469       22.8      1.0      1.0     5.8
   51  -3  -1   2  26.235  52.471  1.74248       26.0      1.2      1.1     5.8
   52  -2   2   2  26.322  52.643  1.73718      520.3     23.1     22.5     5.8
   53  -2   4   1  26.452  52.904  1.72923      100.6      4.5      4.3     5.8
   54   2  -5   1  26.85   53.7    1.70547      287.2     12.8     12.4     5.8
   55  -5   2   0  27.029  54.059  1.69499       86.0      3.8      3.7     5.8
   56   1  -4   2  27.107  54.214  1.69049      975.3     43.3     42.1     5.8
   57  -3   5   0  27.282  54.565  1.68046       44.3      2.0      1.9     5.8
   58   3  -5   1  27.608  55.217  1.66215       39.2      1.7      1.7     5.8
   59  -1   4   1  27.976  55.952  1.64203      397.8     17.7     17.1     5.8
   60   3   1   1  28.133  56.266  1.6336       141.8      6.3      6.1     5.8
   61   1   1   2  28.279  56.558  1.62587       44.2      2.0      1.9     5.8
   62  -4   1   2  28.311  56.621  1.6242        44.7      2.0      1.9     5.8
   63   4   1   0  28.503  57.005  1.61417       84.8      3.8      3.6     5.8
   64  -5   4   0  28.673  57.346  1.60538       82.6      3.7      3.5     5.8
   65  -1   5   0  28.781  57.562  1.59987      186.2      8.3      8.0     5.8
   66  -2  -3   2  28.814  57.627  1.59822       23.5      1.0      1.0     5.8
   67   3  -2   2  28.983  57.966  1.58967       24.7      1.1      1.1     5.8
   68  -3  -2   2  29.024  58.049  1.58761       28.4      1.3      1.2     5.8
   69   0   2   2  29.319  58.637  1.57308      180.1      8.0      7.7     5.8
   70   0  -5   1  29.831  59.663  1.54846      384.7     17.1     16.5     5.8
   71  -1  -4   2  30.078  60.156  1.53695      259.1     11.5     11.1     5.8
   72   4   0   1  30.176  60.353  1.53239       43.7      1.9      1.9     5.8
   73   3  -1   2  30.646  61.293  1.51113      293.3     13.0     12.5     5.8
   74  -4  -1   2  30.692  61.383  1.50912      286.3     12.7     12.2     5.8
   75  -5   4   1  30.888  61.776  1.50046       79.2      3.5      3.4     5.8
   76   5  -4   1  31.256  62.512  1.48454      135.7      6.0      5.8     5.8
   77   5   0   0  31.363  62.726  1.48001       43.3      1.9      1.8     5.8
   78   0   5   0  31.639  63.277  1.46843       57.6      2.6      2.5     5.9
   79  -1  -1   3  32.422  64.844  1.43668       26.5      1.2      1.1     5.9
   80   1   2   2  32.826  65.652  1.42096       67.9      3.0      2.9     5.9
   81  -5   2   2  32.86   65.719  1.41966       57.8      2.6      2.5     5.9
   82  -3   6   0  33.127  66.255  1.40947       59.3      2.6      2.5     5.9
   83  -6   2   1  33.275  66.549  1.40395       87.9      3.9      3.7     5.9
   84   2   3   1  33.428  66.857  1.39823      166.2      7.4      7.0     5.9
   85  -2   0   3  33.466  66.931  1.39686       67.8      3.0      2.9     5.9
   86   4  -4   2  33.511  67.022  1.39519       40.1      1.8      1.7     5.9
   87  -2  -4   2  33.551  67.103  1.39371       39.5      1.8      1.7     5.9
   88   0  -3   3  33.806  67.612  1.38445       77.2      3.4      3.3     5.9
   89   4  -6   1  33.966  67.932  1.37869       38.7      1.7      1.6     5.9
   90   1  -2   3  34.103  68.206  1.37382       28.2      1.3      1.2     5.9
   91  -6   1   1  34.465  68.931  1.36114      102.3      4.5      4.3     5.9
   92  -1   5   1  34.515  69.029  1.35944       48.5      2.2      2.0     5.9
   93   0   0   3  34.785  69.569  1.3502       181.0      8.0      7.6     5.9
   94   1   4   1  34.96   69.92   1.34428      190.6      8.5      8.0     5.9
   95  -6   1   0  35.429  70.857  1.32878       54.9      2.4      2.3     5.9
   96  -1   6   0  35.792  71.584  1.31707       48.2      2.1      2.0     5.9
   97   2  -3   3  36.427  72.854  1.29722       67.9      3.0      2.8     6.0
   98  -2  -3   3  36.463  72.927  1.29609       70.9      3.1      3.0     6.0
   99   1   0   3  37.385  74.771  1.26863       40.4      1.8      1.7     6.0
  100   2   2   2  37.442  74.884  1.267        102.1      4.5      4.3     6.0
  101  -6   2   2  37.485  74.969  1.26577       59.8      2.7      2.5     6.0
  102  -6   5   1  37.784  75.569  1.25721       28.4      1.3      1.2     6.0
  103   6  -5   1  37.885  75.771  1.25436       62.3      2.8      2.6     6.0
  104   6  -2   1  38.019  76.039  1.2506        77.7      3.5      3.2     6.0
  105  -5  -2   1  38.054  76.109  1.24962       37.7      1.7      1.6     6.0
  106   5  -4   2  38.089  76.178  1.24866       37.4      1.7      1.6     6.0
  107  -3   2   3  38.147  76.295  1.24704       65.1      2.9      2.7     6.0
  108   0  -6   2  38.504  77.009  1.23725       48.9      2.2      2.0     6.0
  109   3  -7   1  38.548  77.096  1.23606       56.8      2.5      2.4     6.0
  110  -6   6   0  39.005  78.01   1.22386       43.1      1.9      1.8     6.0
  111   1  -5   3  39.116  78.232  1.22094       49.0      2.2      2.0     6.0
  112   3   3   1  39.288  78.575  1.21646       74.3      3.3      3.1     6.0
  113  -7   3   0  39.37   78.741  1.21432       78.9      3.5      3.3     6.0
  114  -1   2   3  39.403  78.806  1.21348       24.9      1.1      1.0     6.0
  115  -3  -3   3  39.671  79.342  1.20661       23.9      1.1      1.0     6.0
  116  -4   7   0  39.769  79.539  1.20413       37.6      1.7      1.6     6.0
  117  -3   5   2  40.267  80.535  1.19173       39.7      1.8      1.6     6.1
  118   5   2   0  40.587  81.174  1.18395       48.6      2.2      2.0     6.1
  119  -5   7   0  41.026  82.052  1.17349       26.0      1.2      1.1     6.1
  120   1  -7   1  41.081  82.163  1.17219       79.1      3.5      3.2     6.1
  121   2   0   3  41.18   82.36   1.16988       38.6      1.7      1.6     6.1
  122  -5   0   3  41.238  82.476  1.16852       38.2      1.7      1.6     6.1
  123  -2   5   2  41.517  83.034  1.16208       32.9      1.5      1.3     6.1
  124   2  -7   2  41.548  83.095  1.16138       84.5      3.8      3.5     6.1
  125   3  -5   3  41.614  83.229  1.15986       41.6      1.8      1.7     6.1
  126  -1  -5   3  41.651  83.302  1.15903       42.5      1.9      1.7     6.1
  127  -3   3   3  41.691  83.382  1.15812       90.6      4.0      3.7     6.1
  128   5  -1   2  42.399  84.798  1.14236       59.8      2.7      2.4     6.1
  129  -6  -1   2  42.461  84.923  1.141         56.3      2.5      2.3     6.1
  130   4  -7   2  42.782  85.564  1.13408       49.1      2.2      2.0     6.1
  131   7  -4   1  42.943  85.886  1.13065       41.4      1.8      1.7     6.1
  132  -4  -4   1  42.981  85.962  1.12985       39.7      1.8      1.6     6.1
  133  -7   1   0  43.054  86.107  1.12831       37.5      1.7      1.5     6.1
  134   1  -6   3  43.276  86.553  1.12364       39.4      1.8      1.6     6.1
  135   1   6   0  43.4    86.801  1.12107       36.7      1.6      1.5     6.1
  136   7  -5   1  43.541  87.083  1.11817       39.7      1.8      1.6     6.1
  137  -3  -5   1  43.577  87.155  1.11743       31.2      1.4      1.3     6.2
  138   4  -3   3  43.986  87.972  1.10914       24.2      1.1      1.0     6.2
  139  -4  -3   3  44.056  88.112  1.10774       22.8      1.0      0.9     6.2
  140  -1   3   3  44.166  88.332  1.10555       60.3      2.7      2.4     6.2
  141  -5   3   3  44.197  88.394  1.10494       58.8      2.6      2.4     6.2
  142   0  -6   3  44.528  89.057  1.09842      181.0      8.0      7.3     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)