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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FABIANITE

1

CaB(3)O(5)(OH)


Monoclinic  P 2(1)/a  Z = 4

R =0.075          NR =1309

27 .10 .1989

Ref.Str.:

         J.A.Konnert, J.R.Clark (1970)

         * Z. Kristallogr., 132, 241-254

                   Initial data from BDM-file 

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

             a =   6.593    alpha =   90.0 
             b =  10.488    beta  =  113.3 
             c =   6.365    gamma =   90.0 

    Unit cell volume (cub. angs.) =   404.23

    Molar volume ( cub.cm/mol.) =    60.87

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

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

   1 0.3041  0.4371  0.6372   0.0    Ca    = 1.00
   2 0.4243  0.1284  0.5278   0.0    O     = 1.00
   3 0.393   0.2387  0.8489   0.0    O     = 1.00
   4 0.2161  0.0325  0.7225   0.0    O     = 1.00
   5 0.6207  0.0502  0.8902   0.0    O     = 1.00
   6 0.6739  0.1892  0.2175   0.0    O     = 1.00
   7 0.9845  0.1131  0.1527   0.0    O     = 1.00
   8 0.4139  0.1124  0.7556   0.0    B     = 1.00
   9 0.7562  0.0765  0.1259   0.0    B     = 1.00
  10 0.5174  0.269   0.0739   0.0    B     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3041     0.4371     0.6372
     2       2     0.4243     0.1284     0.5278
     3       3     0.393      0.2387     0.8489
     4       4     0.2161     0.0325     0.7225
     5       5     0.6207     0.0502     0.8902
     6       6     0.6739     0.1892     0.2175
     7       7     0.9845     0.1131     0.1527
     8       8     0.4139     0.1124     0.7556
     9       9     0.7562     0.0765     0.1259
    10      10     0.5174     0.269      0.0739
    11       1     0.6959     0.5629     0.3628
    12       2     0.5757     0.8716     0.4722
    13       3     0.607      0.7613     0.1511
    14       4     0.7839     0.9675     0.2775
    15       5     0.3793     0.9498     0.1098
    16       6     0.3261     0.8108     0.7825
    17       7     0.0155     0.8869     0.8473
    18       8     0.5861     0.8876     0.2444
    19       9     0.2438     0.9235     0.8741
    20      10     0.4826     0.731      0.9261
    21       1     0.8041     0.0629     0.6372
    22       2     0.9243     0.3716     0.5278
    23       3     0.893      0.2613     0.8489
    24       4     0.7161     0.4675     0.7225
    25       5     0.1207     0.4498     0.8902
    26       6     0.1739     0.3108     0.2175
    27       7     0.4845     0.3869     0.1527
    28       8     0.9139     0.3876     0.7556
    29       9     0.2562     0.4235     0.1259
    30      10     0.0174     0.231      0.0739
    31       1     0.1959     0.9371     0.3628
    32       2     0.0757     0.6284     0.4722
    33       3     0.107      0.7387     0.1511
    34       4     0.2839     0.5325     0.2775
    35       5     0.8793     0.5502     0.1098
    36       6     0.8261     0.6892     0.7825
    37       7     0.5155     0.6131     0.8473
    38       8     0.0861     0.6124     0.2444
    39       9     0.7438     0.5765     0.8741
    40      10     0.9826     0.769      0.9261


X-ray density (g/cm cub.)   =      2.77

MU (1/cm) =     126.062    Mass attenuation coefficient (cm**2/g) =     45.544

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

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

    1    Ca                  2.88         8
                                                 2.4216       3
                                                 2.4182       2
                                                 2.5706       4
                                                 2.3693       5
                                                 2.7953       6
                                                 2.4789       2
                                                 2.4534       4
                                                 2.3799       7
    2    O                   3.264        8
                                                 2.4273       3
                                                 2.4036       4
                                                 2.3037       5
                                                 3.0962       6
                                                 2.9423       7
                                                 2.9419       2
                                                 3.1703       5
                                                 2.7761       6
    3    O                   3.264        6
                                                 2.4273       2
                                                 2.4377       4
                                                 2.4329       5
                                                 2.4013       6
                                                 2.927        5
                                                 2.3656       7
    4    O                   3.264        7
                                                 2.4036       2
                                                 2.4377       3
                                                 2.457        5
                                                 3.1972       4
                                                 2.4267       5
                                                 2.4206       6
                                                 2.3544       7
    5    O                   3.264       11
                                                 2.3037       2
                                                 2.4329       3
                                                 2.457        4
                                                 2.4516       6
                                                 2.4103       7
                                                 3.1703       2
                                                 2.4267       4
                                                 2.7121       5
                                                 3.0811       6
                                                 3.2164       7
                                                 2.927        3
    6    O                   3.264        8
                                                 3.0962       2
                                                 2.4013       3
                                                 2.4516       5
                                                 2.3809       7
                                                 2.4206       4
                                                 3.0811       5
                                                 2.7761       2
                                                 2.3709       7
    7    O                   3.264        8
                                                 2.9423       2
                                                 2.4103       5
                                                 2.3809       6
                                                 2.3544       4
                                                 3.2164       5
                                                 3.1246       7
                                                 2.3656       3
                                                 2.3709       6
    8    B                   1.872        4
                                                 1.4879       2
                                                 1.4802       3
                                                 1.4933       4
                                                 1.4472       5
    9    B                   1.872        4
                                                 1.4369       5
                                                 1.5105       6
                                                 1.4963       7
                                                 1.4601       4
   10    B                   1.872        3
                                                 1.3768       3
                                                 1.3618       6
                                                 1.3834       7

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

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

    1   0   0   1  7.572  15.143   0.086  112.24    2        9.7       12.9
    2   1   1   0  8.447  16.893   0.095   89.76    4        3.1        2.1
    3   0   2   0  8.447  16.893   0.095   89.76    2       49.8      272.6
    4   0   1   1  8.676  17.352   0.098   84.95    4       15.5       50.3
    5   1   1  -1  9.221  18.442   0.104   74.96    4        0.5        0.0
    6   1   2   0 11.205  22.409   0.126   50.07    4       54.3      362.0
    7   0   2   1 11.381  22.761   0.128   48.47    4       41.0      199.6
    8   1   2  -1 11.806  23.612   0.133   44.9     4       31.9      112.1
    9   1   1   1 13.207  26.414   0.148   35.46    4        3.8        1.2
   10   2   0  -1 13.635  27.269   0.153   33.15    2       96.7      379.0
   11   2   1  -1 14.295  28.589   0.16    29.98    4       10.2        7.6
   12   1   1  -2 14.713  29.426   0.165   28.19    4       63.0      273.7
   13   2   0   0 14.739  29.478   0.165   28.08    2       34.3       40.4
   14   1   3   0 14.739  29.478   0.165   28.08    4       20.9       30.1
   15   0   3   1 14.876  29.752   0.167   27.53    4       53.8      195.1
   16   1   2   1 15.159  30.317   0.17    26.44    4       20.5       27.3
   17   1   3  -1 15.21   30.42    0.17    26.25    4        6.5        2.7
   18   0   0   2 15.279  30.559   0.171   26.0     2       48.8       75.8
   19   2   1   0 15.355  30.711   0.172   25.72    4       32.9       68.2
   20   0   1   2 15.877  31.754   0.178   23.94    4       38.8       88.4
   21   2   2  -1 16.126  32.252   0.18    23.14    4       21.3       25.6
   22   1   2  -2 16.502  33.004   0.184   22.02    4       28.5       43.6
   23   2   0  -2 16.549  33.099   0.185   21.88    2        8.0        1.7
   24   2   2   0 17.084  34.168   0.191   20.42    4       60.1      180.3
   25   0   4   0 17.084  34.168   0.191   20.42    2        4.2        0.5
   26   2   1  -2 17.107  34.214   0.191   20.36    4        2.4        0.3
   27   0   2   2 17.56   35.119   0.196   19.23    4       10.4        5.1
   28   1   3   1 17.986  35.972   0.2     18.25    4       61.9      171.0
   29   1   4   0 18.671  37.342   0.208   16.81    4       47.7       93.7
   30   2   2  -2 18.692  37.385   0.208   16.77    4       60.6      150.8
   31   0   4   1 18.782  37.564   0.209   16.59    4       30.5       37.7
   32   2   3  -1 18.824  37.649   0.209   16.51    4        3.2        0.4
   33   1   4  -1 19.055  38.11    0.212   16.07    4       12.9        6.5
   34   1   3  -2 19.154  38.308   0.213   15.89    4        3.9        0.6
   35   2   0   1 19.242  38.484   0.214   15.73    2       13.1        3.3
   36   2   3   0 19.667  39.335   0.218   14.98    4       22.9       19.2
   37   2   1   1 19.733  39.467   0.219   14.87    4       26.3       25.3
   38   1   1   2 20.05   40.1     0.223   14.36    4       23.4       19.3
   39   0   3   2 20.09   40.181   0.223   14.29    4       78.3      214.7
   40   3   1  -1 21.016  42.032   0.233   12.92    4       50.6       81.1
   41   2   3  -2 21.107  42.214   0.234   12.8     4       36.1       40.8
   42   2   2   1 21.15   42.3     0.234   12.74    4       40.5       51.2
   43   1   4   1 21.398  42.795   0.237   12.41    4       19.2       11.2
   44   1   2   2 21.45   42.899   0.237   12.35    4       48.9       72.4
   45   1   1  -3 21.811  43.623   0.241   11.89    4       75.2      164.6
   46   3   1  -2 22.048  44.097   0.244   11.61    4       48.7       67.3
   47   2   0  -3 22.09   44.18    0.244   11.56    2       63.3       56.8
   48   2   4  -1 22.127  44.254   0.244   11.51    4       13.9        5.5
   49   3   2  -1 22.366  44.731   0.247   11.24    4       85.2      199.9
   50   1   4  -2 22.416  44.832   0.248   11.18    4       59.4       96.7
   51   2   1  -3 22.53   45.06    0.249   11.05    4       10.0        2.7
   52   3   1   0 22.869  45.738   0.252   10.69    4       21.0       11.5
   53   2   4   0 22.869  45.738   0.252   10.69    4       30.0       23.5
   54   1   5   0 22.869  45.738   0.252   10.69    4       13.3        4.6
   55   0   5   1 22.963  45.927   0.253   10.59    4       79.0      161.7
   56   1   2  -3 23.124  46.249   0.255   10.42    4       34.2       29.9
   57   1   5  -1 23.196  46.391   0.256   10.35    4       48.4       59.5
   58   0   4   2 23.244  46.489   0.256   10.3     4       16.1        6.5
   59   0   0   3 23.284  46.568   0.257   10.26    2       24.7        7.6
   60   3   2  -2 23.351  46.701   0.257   10.19    4       29.1       21.2
   61   2   3   1 23.355  46.71    0.257   10.19    4       90.3      203.3
   62   1   3   2 23.632  47.265   0.26     9.92    4        4.4        0.5
   63   0   1   3 23.707  47.414   0.261    9.85    4       18.6        8.3
   64   2   2  -3 23.812  47.623   0.262    9.75    4       27.9       18.6
   65   3   2   0 24.137  48.273   0.265    9.46    4       38.5       34.3
   66   2   4  -2 24.154  48.308   0.266    9.44    4       36.8       31.3
   67   3   3  -1 24.484  48.969   0.269    9.15    4       22.8       11.6
   68   0   2   3 24.942  49.884   0.274    8.78    4       49.2       52.1
   69   1   3  -3 25.194  50.388   0.276    8.58    4       18.3        7.1
   70   1   5   1 25.227  50.454   0.277    8.55    4       15.0        4.7
   71   3   3  -2 25.406  50.812   0.278    8.42    4       45.2       42.0
   72   2   0   2 25.638  51.276   0.281    8.24    2       64.9       42.5
   73   3   1  -3 25.692  51.383   0.281    8.2     4       68.1       93.2
   74   2   3  -3 25.84   51.679   0.283    8.1     4       29.0       16.7
   75   2   5  -1 25.873  51.745   0.283    8.07    4       24.5       11.9
   76   2   1   2 26.032  52.064   0.285    7.96    4       16.4        5.2
   77   1   5  -2 26.13   52.26    0.286    7.89    4       36.8       26.1
   78   3   3   0 26.146  52.292   0.286    7.88    4       45.1       39.2
   79   0   6   0 26.146  52.292   0.286    7.88    2       62.9       38.1
   80   2   4   1 26.199  52.398   0.287    7.85    4       13.2        3.3
   81   1   4   2 26.454  52.908   0.289    7.68    4        9.6        1.7
   82   2   5   0 26.535  53.069   0.29     7.62    4        9.8        1.8
   83   3   2  -3 26.86   53.719   0.293    7.41    4        5.6        0.6
   84   0   5   2 26.872  53.743   0.293    7.41    4       15.7        4.5
   85   0   3   3 26.907  53.815   0.294    7.38    4       14.0        3.5
   86   3   1   1 27.146  54.292   0.296    7.24    4       48.2       41.1
   87   2   2   2 27.189  54.379   0.297    7.21    4       59.4       62.2
   88   3   4  -1 27.241  54.482   0.297    7.18    4       41.4       30.1
   89   1   6   0 27.3    54.601   0.298    7.14    4       45.5       36.3
   90   0   6   1 27.383  54.767   0.299    7.1     4        6.1        0.6
   91   1   6  -1 27.588  55.176   0.301    6.98    4       41.3       29.1
   92   2   5  -2 27.694  55.387   0.302    6.92    4       68.5       79.4
   93   1   1   3 27.807  55.613   0.303    6.85    4       25.3       10.7
   94   1   4  -3 27.9    55.801   0.304    6.8     4       18.8        5.9
   95   3   4  -2 28.098  56.197   0.306    6.69    4       58.5       56.1
   96   4   0  -2 28.129  56.258   0.306    6.68    2       27.8        6.3
   97   4   0  -1 28.195  56.39    0.307    6.64    2       32.2        8.4
   98   3   2   1 28.272  56.544   0.307    6.6     4       16.7        4.5
   99   4   1  -2 28.499  56.999   0.31     6.48    4       26.2       10.9
  100   2   4  -3 28.503  57.007   0.31     6.48    4       20.1        6.4
  101   4   1  -1 28.564  57.129   0.31     6.45    4       28.0       12.4
  102   3   3  -3 28.733  57.466   0.312    6.36    4        6.8        0.7
  103   3   4   0 28.79   57.58    0.313    6.33    4        3.5        0.2
  104   1   2   3 28.916  57.831   0.314    6.27    4        4.6        0.3
  105   2   3   2 29.049  58.097   0.315    6.21    4       30.4       14.0
  106   2   0  -4 29.094  58.188   0.316    6.19    2        7.3        0.4
  107   1   6   1 29.4    58.8     0.319    6.04    4        6.4        0.6
  108   2   1  -4 29.456  58.913   0.319    6.02    4        2.1        0.1
  109   0   4   3 29.505  59.011   0.32     5.99    4       19.6        5.6
  110   2   5   1 29.565  59.131   0.32     5.97    4       45.0       29.5
  111   4   2  -2 29.592  59.183   0.321    5.95    4        1.9        0.1
  112   4   2  -1 29.655  59.31    0.321    5.93    4       19.3        5.4
  113   1   1  -4 29.756  59.512   0.322    5.88    4        8.8        1.1
  114   1   5   2 29.801  59.602   0.323    5.86    4        1.1        0.0
  115   2   6  -1 29.984  59.967   0.324    5.78    4       43.6       26.9
  116   3   3   1 30.087  60.175   0.325    5.74    4       12.7        2.2
  117   1   6  -2 30.217  60.435   0.327    5.68    4       25.4        8.9
  118   4   0  -3 30.398  60.797   0.328    5.61    2        5.4        0.2
  119   2   2  -4 30.527  61.055   0.33     5.55    4       37.5       19.2
  120   3   5  -1 30.531  61.062   0.33     5.55    4        9.9        1.3
  121   4   0   0 30.586  61.172   0.33     5.53    2        4.9        0.2
  122   2   6   0 30.586  61.172   0.33     5.53    4        6.6        0.6
  123   1   3   3 30.707  61.414   0.331    5.48    4       13.4        2.4
  124   4   1  -3 30.751  61.502   0.332    5.46    4       18.0        4.4
  125   1   2  -4 30.821  61.641   0.333    5.44    4       64.3       55.0
  126   0   6   2 30.894  61.788   0.333    5.41    4        1.2        0.0
  127   4   1   0 30.937  61.875   0.334    5.39    4       18.4        4.5
  128   1   5  -3 31.145  62.291   0.336    5.31    4       19.5        4.9
  129   3   4  -3 31.233  62.465   0.337    5.28    4        6.0        0.5
  130   3   1  -4 31.287  62.574   0.337    5.26    4       27.9       10.0
  131   3   5  -2 31.331  62.661   0.338    5.24    4       21.3        5.8
  132   4   3  -2 31.359  62.719   0.338    5.23    4       33.8       14.6
  133   4   3  -1 31.421  62.842   0.338    5.21    4       18.0        4.1
  134   2   4   2 31.533  63.066   0.339    5.17    4        6.3        0.5
  135   2   6  -2 31.649  63.297   0.341    5.13    4       23.9        7.1
  136   2   5  -3 31.71   63.42    0.341    5.11    4       26.3        8.6
  137   4   2  -3 31.796  63.592   0.342    5.08    4       44.9       25.1
  138   0   0   4 31.807  63.613   0.342    5.07    2       48.5       14.6
  139   4   2   0 31.979  63.958   0.344    5.01    4       19.3        4.6
  140   3   5   0 31.979  63.958   0.344    5.01    4       18.8        4.3
  141   1   7   0 31.979  63.958   0.344    5.01    4       12.5        1.9
  142   0   7   1 32.054  64.109   0.345    4.99    4       17.0        3.5
  143   0   1   4 32.151  64.301   0.345    4.96    4        1.5        0.0
  144   1   7  -1 32.24   64.48    0.346    4.93    4        1.1        0.0
  145   2   3  -4 32.265  64.53    0.347    4.92    4        6.1        0.4
  146   3   2  -4 32.322  64.644   0.347    4.9     4        8.0        0.8
  147   3   4   1 32.525  65.049   0.349    4.83    4        1.9        0.0
  148   1   3  -4 32.55   65.099   0.349    4.82    4        7.3        0.6
  149   0   5   3 32.652  65.305   0.35     4.79    4       12.7        1.9
  150   1   4   3 33.118  66.237   0.355    4.65    4       32.7       12.2
  151   0   2   4 33.171  66.342   0.355    4.63    4       28.8        9.4
  152   3   1   2 33.213  66.426   0.356    4.62    4       27.9        8.8
  153   2   0   3 33.245  66.489   0.356    4.61    2       49.6       13.9
  154   2   6   1 33.385  66.77    0.357    4.57    4        3.8        0.2
  155   4   3  -3 33.497  66.995   0.358    4.54    4       27.4        8.4
  156   2   1   3 33.581  67.162   0.359    4.51    4       21.7        5.2
  157   1   6   2 33.606  67.211   0.359    4.51    4       13.7        2.1
  158   4   3   0 33.675  67.35    0.36     4.49    4       25.8        7.3
  159   4   4  -2 33.745  67.49    0.361    4.47    4       17.9        3.5
  160   4   4  -1 33.804  67.609   0.361    4.45    4       10.6        1.2
  161   1   7   1 33.902  67.804   0.362    4.43    4       46.1       23.1
  162   3   3  -4 34.01   68.019   0.363    4.4     4        1.3        0.0
  163   3   2   2 34.217  68.434   0.365    4.34    4       10.9        1.3
  164   3   6  -1 34.29   68.58    0.366    4.32    4       16.8        3.0
  165   3   5  -3 34.29   68.581   0.366    4.32    4        4.9        0.3
  166   2   7  -1 34.442  68.885   0.367    4.28    4        8.1        0.7
  167   2   5   2 34.576  69.153   0.368    4.25    4       27.8        8.1
  168   2   2   3 34.58   69.16    0.368    4.25    4       30.5        9.7
  169   2   4  -4 34.618  69.236   0.369    4.24    4       17.5        3.2
  170   1   7  -2 34.659  69.319   0.369    4.23    4       32.3       10.8
  171   4   0  -4 34.728  69.456   0.37     4.21    2       12.2        0.8
  172   0   3   4 34.838  69.676   0.371    4.18    4       31.9       10.4
  173   1   6  -3 34.869  69.738   0.371    4.18    4       16.8        2.9
  174   1   4  -4 34.893  69.786   0.371    4.17    4       80.9       66.9
  175   2   7   0 35.003  70.005   0.372    4.14    4       41.3       17.3
  176   4   0   1 35.019  70.039   0.372    4.14    2       20.4        2.1
  177   3   6  -2 35.044  70.088   0.373    4.13    4       36.4       13.4
  178   4   1  -4 35.057  70.115   0.373    4.13    4       23.5        5.6
  179   0   7   2 35.29   70.58    0.375    4.08    4        5.4        0.3
  180   4   1   1 35.347  70.695   0.376    4.06    4       13.0        1.7
  181   2   6  -3 35.403  70.805   0.376    4.05    4       11.5        1.3
  182   3   5   1 35.525  71.05    0.377    4.02    4       26.7        7.0
  183   3   6   0 35.658  71.315   0.378    3.99    4       10.2        1.0
  184   4   4  -3 35.811  71.621   0.38     3.96    4       24.1        5.6
  185   3   3   2 35.861  71.722   0.38     3.95    4       10.7        1.1
  186   4   4   0 35.983  71.966   0.381    3.92    4        9.8        0.9
  187   0   8   0 35.983  71.967   0.381    3.92    2       27.1        3.5
  188   2   7  -2 35.997  71.994   0.382    3.92    4       16.1        2.5
  189   4   2  -4 36.038  72.075   0.382    3.91    4        9.6        0.9
  190   5   1  -2 36.078  72.156   0.382    3.9     4       19.6        3.7
  191   1   5   3 36.095  72.19    0.382    3.9     4        0.4        0.0
  192   2   3   3 36.216  72.433   0.384    3.87    4       24.6        5.8
  193   0   6   3 36.298  72.595   0.384    3.86    4        6.7        0.4
  194   3   4  -4 36.308  72.616   0.384    3.86    4       34.8       11.5
  195   4   2   1 36.324  72.648   0.385    3.85    4        2.4        0.1
  196   1   1   4 36.415  72.831   0.385    3.83    4       34.5       11.2
  197   4   5  -2 36.698  73.396   0.388    3.78    4       30.8        8.8
  198   4   5  -1 36.755  73.51    0.388    3.77    4       33.8       10.6
  199   5   1  -1 36.93   73.859   0.39     3.73    4       40.3       14.9
  200   1   8   0 36.953  73.907   0.39     3.73    4        8.2        0.6
  201   0   8   1 37.024  74.047   0.391    3.72    4       16.3        2.4
  202   5   2  -2 37.047  74.094   0.391    3.71    4       35.1       11.2
  203   0   4   4 37.114  74.228   0.392    3.7     4       11.9        1.3
  204   1   8  -1 37.198  74.395   0.392    3.68    4        7.5        0.5
  205   2   0  -5 37.238  74.475   0.393    3.68    2       25.7        3.0
  206   5   1  -3 37.304  74.609   0.393    3.66    4        6.6        0.4
  207   1   2   4 37.381  74.762   0.394    3.65    4       28.7        7.4
  208   2   5  -4 37.541  75.083   0.396    3.62    4        9.2        0.8
  209   2   1  -5 37.558  75.116   0.396    3.62    4       19.5        3.4
  210   2   7   1 37.638  75.276   0.396    3.61    4       24.1        5.1
  211   4   3  -4 37.648  75.296   0.396    3.6     4       38.6       13.1
  212   1   5  -4 37.807  75.615   0.398    3.58    4       20.8        3.8
  213   1   7   2 37.847  75.695   0.398    3.57    4       55.6       27.0
  214   3   6  -3 37.864  75.728   0.398    3.57    4       22.1        4.3
  215   5   2  -1 37.89   75.78    0.399    3.56    4       20.9        3.8
  216   4   3   1 37.93   75.86    0.399    3.56    4       12.2        1.3
  217   3   4   2 38.112  76.225   0.401    3.53    4       45.2       17.7
  218   2   6   2 38.139  76.278   0.401    3.52    4        8.4        0.6
  219   5   2  -3 38.262  76.524   0.402    3.5     4        6.5        0.4
  220   3   1  -5 38.421  76.841   0.403    3.48    4        0.8        0.0
  221   2   4   3 38.46   76.92    0.404    3.47    4        5.6        0.3
  222   3   7  -1 38.5    77.0     0.404    3.46    4       20.3        3.5
  223   2   2  -5 38.513  77.026   0.404    3.46    4        2.0        0.0
  224   1   1  -5 38.606  77.211   0.405    3.45    4       30.5        7.8
  225   5   3  -2 38.642  77.284   0.405    3.44    4       23.1        4.5
  226   4   5  -3 38.698  77.396   0.406    3.43    4        2.2        0.0
  227   1   8   1 38.764  77.528   0.406    3.42    4       20.3        3.5
  228   4   5   0 38.866  77.732   0.407    3.41    4       43.9       16.1
  229   1   3   4 38.971  77.943   0.408    3.39    4       29.6        7.3
  230   3   6   1 39.054  78.107   0.409    3.38    4       23.9        4.7
  231   1   7  -3 39.054  78.108   0.409    3.38    4       36.1       10.8
  232   3   5  -4 39.182  78.364   0.41     3.36    4        1.9        0.0
  233   3   7  -2 39.222  78.443   0.41     3.36    4       29.9        7.4
  234   2   8  -1 39.277  78.555   0.411    3.35    4       20.4        3.4
  235   3   2  -5 39.369  78.739   0.412    3.34    4       26.4        5.7
  236   5   3  -1 39.474  78.948   0.413    3.32    4       18.4        2.8
  237   1   8  -2 39.484  78.969   0.413    3.32    4        1.5        0.0
  238   1   2  -5 39.553  79.106   0.413    3.31    4       20.8        3.5
  239   2   7  -3 39.566  79.132   0.413    3.31    4       27.1        5.9
  240   1   6   3 39.605  79.211   0.414    3.31    4        4.2        0.1
  241   5   1   0 39.811  79.623   0.416    3.28    4       72.7       42.4
  242   3   7   0 39.812  79.623   0.416    3.28    4       15.6        2.0
  243   2   8   0 39.812  79.624   0.416    3.28    4       67.1       36.1
  244   5   3  -3 39.841  79.682   0.416    3.27    4       28.9        6.7
  245   4   4  -4 39.864  79.728   0.416    3.27    4       39.1       12.2
  246   0   5   4 39.969  79.937   0.417    3.26    4       10.1        0.8
  247   0   8   2 40.087  80.173   0.418    3.24    4       16.9        2.3
  248   2   3  -5 40.09   80.179   0.418    3.24    4       19.5        3.0
  249   4   4   1 40.142  80.283   0.418    3.24    4       22.4        4.0
  250   4   6  -2 40.191  80.382   0.419    3.23    4       41.2       13.4
  251   4   6  -1 40.246  80.493   0.419    3.22    4       11.3        1.0
  252   0   7   3 40.429  80.858   0.421    3.2     4       22.5        4.0
  253   5   1  -4 40.543  81.087   0.422    3.19    4       38.1       11.3
  254   5   2   0 40.751  81.503   0.424    3.17    4       16.2        2.0
  255   2   8  -2 40.765  81.53    0.424    3.16    4       25.4        5.0
  256   3   1   3 40.781  81.561   0.424    3.16    4       35.3        9.7
  257   5   4  -2 40.843  81.685   0.425    3.16    4       37.1       10.6
  258   4   0  -5 40.846  81.692   0.425    3.15    2       48.1        9.0
  259   3   3  -5 40.937  81.874   0.425    3.14    4        1.1        0.0
  260   3   5   2 40.947  81.893   0.425    3.14    4       13.2        1.3
  261   2   6  -4 41.012  82.024   0.426    3.14    4       31.4        7.6
  262   1   3  -5 41.119  82.238   0.427    3.13    4        6.2        0.3
  263   4   1  -5 41.158  82.316   0.427    3.12    4       11.4        1.0
  264   1   4   4 41.168  82.335   0.427    3.12    4       54.3       22.5
  265   0   0   5 41.21   82.42    0.428    3.12    2        8.5        0.3
  266   4   0   2 41.232  82.465   0.428    3.11    2       32.9        4.1
  267   1   6  -4 41.272  82.544   0.428    3.11    4        8.2        0.5
  268   2   5   3 41.288  82.576   0.428    3.11    4       11.2        1.0
  269   5   2  -4 41.48   82.959   0.43     3.09    4       23.3        4.1
  270   0   1   5 41.521  83.043   0.43     3.08    4       14.6        1.6
  271   4   1   2 41.544  83.088   0.43     3.08    4       37.5       10.6
  272   5   4  -1 41.664  83.328   0.432    3.07    4       24.9        4.7
  273   3   2   3 41.716  83.431   0.432    3.06    4        4.3        0.1
  274   3   7  -3 41.95   83.899   0.434    3.04    4       26.5        5.2
  275   5   4  -3 42.027  84.054   0.435    3.04    4       38.3       10.9
  276   2   0   4 42.049  84.099   0.435    3.03    2       34.7        4.5
  277   4   2  -5 42.092  84.184   0.435    3.03    4       46.4       16.0
  278   4   6  -3 42.144  84.287   0.436    3.03    4       12.8        1.2
  279   2   7   2 42.218  84.436   0.436    3.02    4       41.3       12.6
  280   2   4  -5 42.273  84.546   0.437    3.01    4       22.1        3.6
  281   5   3   0 42.308  84.616   0.437    3.01    4       15.7        1.8
  282   4   6   0 42.308  84.617   0.437    3.01    4        7.0        0.4
  283   1   9   0 42.309  84.617   0.437    3.01    4        2.7        0.1
  284   2   8   1 42.351  84.701   0.437    3.01    4        3.3        0.1
  285   2   1   4 42.36   84.72    0.437    3.01    4       28.1        5.8
  286   0   9   1 42.377  84.753   0.438    3.0     4       22.5        3.7
  287   0   2   5 42.454  84.908   0.438    3.0     4       10.6        0.8
  288   4   2   2 42.476  84.952   0.438    3.0     4       36.4        9.7
  289   1   9  -1 42.545  85.089   0.439    2.99    4        2.5        0.0
  290   1   8   2 42.554  85.108   0.439    2.99    4       18.6        2.5
  291   3   6  -4 42.619  85.238   0.44     2.98    4       47.1       16.2
  292   4   5  -4 42.671  85.341   0.44     2.98    4       27.9        5.7
  293   4   5   1 42.945  85.889   0.442    2.96    4       22.1        3.5
  294   5   3  -4 43.032  86.064   0.443    2.95    4       14.7        1.6
  295   3   7   1 43.113  86.225   0.444    2.95    4       31.8        7.3
  296   3   4  -5 43.113  86.226   0.444    2.95    4       52.1       19.6
  297   3   8  -1 43.19   86.38    0.444    2.94    4        8.4        0.5
  298   3   3   3 43.267  86.534   0.445    2.93    4        1.0        0.0
  299   2   2   4 43.29   86.579   0.445    2.93    4       12.4        1.1
  300   1   4  -5 43.293  86.587   0.445    2.93    4        8.6        0.5
  301   0   6   4 43.393  86.787   0.446    2.92    4       53.6       20.6
  302   5   5  -2 43.638  87.276   0.448    2.91    4       20.3        2.9
  303   4   3  -5 43.642  87.283   0.448    2.91    4       24.4        4.3
  304   1   7   3 43.654  87.309   0.448    2.91    4        6.3        0.3
  305   1   8  -3 43.732  87.464   0.449    2.9     4        5.0        0.2
  306   3   8  -2 43.896  87.792   0.45     2.89    4       25.4        4.6
  307   1   5   4 43.96   87.921   0.451    2.89    4       23.4        3.9
  308   0   3   5 44.002  88.004   0.451    2.88    4       11.3        0.9
  309   4   3   2 44.025  88.049   0.451    2.88    4        9.9        0.7
  310   1   9   1 44.067  88.134   0.451    2.88    4       55.8       21.9
  311   4   7  -2 44.231  88.462   0.453    2.87    4       19.3        2.6
  312   2   8  -3 44.234  88.469   0.453    2.87    4        7.9        0.4
  313   4   7  -1 44.286  88.572   0.453    2.87    4       16.7        1.9
  314   3   6   2 44.36   88.719   0.454    2.86    4       36.3        9.3
  315   5   5  -1 44.453  88.906   0.455    2.86    4       28.7        5.8
  316   5   4   0 44.475  88.951   0.455    2.86    4        1.2        0.0
  317   3   8   0 44.476  88.952   0.455    2.86    4       24.9        4.3
  318   2   9  -1 44.569  89.139   0.456    2.85    4       12.9        1.2
  319   6   0  -2 44.591  89.183   0.456    2.85    2       40.7        5.8
  320   5   1   1 44.633  89.266   0.456    2.85    4        1.9        0.0
  321   2   6   3 44.698  89.396   0.457    2.84    4       28.1        5.5
  322   1   9  -2 44.772  89.544   0.457    2.84    4       27.9        5.4
  323   5   5  -3 44.814  89.628   0.457    2.84    4        8.5        0.5
  324   2   3   4 44.836  89.672   0.458    2.84    4        2.8        0.1
  325   6   1  -2 44.901  89.801   0.458    2.83    4       25.4        4.5


  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   0   0   1   7.572  15.143  5.84591       12.9      3.4      3.4     5.6
    2   0   2   0   8.447  16.893  5.244        274.7     72.5     73.0     5.6
    3   0   1   1   8.676  17.352  5.10626       50.3     13.3     13.4     5.6
    4   1   2   0  11.205  22.409  3.96411      362.0     95.5     95.9     5.6
    5   0   2   1  11.381  22.761  3.90358      199.6     52.7     52.9     5.6
    6   1   2  -1  11.806  23.612  3.76487      112.1     29.6     29.7     5.6
    7   2   0  -1  13.635  27.269  3.26763      379.0    100.0    100.0     5.6
    8   2   1  -1  14.295  28.589  3.11972        7.6      2.0      2.0     5.6
    9   1   1  -2  14.713  29.426  3.0329       344.2     90.8     90.7     5.6
   10   0   3   1  14.876  29.752  3.00041      195.1     51.5     51.4     5.6
   11   1   2   1  15.159  30.317  2.94569       27.3      7.2      7.2     5.6
   12   0   0   2  15.279  30.559  2.92296       75.8     20.0     19.9     5.6
   13   2   1   0  15.355  30.711  2.90888       68.2     18.0     17.9     5.6
   14   0   1   2  15.877  31.754  2.81565       88.4     23.3     23.2     5.6
   15   2   2  -1  16.126  32.252  2.77329       25.6      6.8      6.7     5.6
   16   1   2  -2  16.502  33.004  2.71176       43.6     11.5     11.5     5.6
   17   2   2   0  17.084  34.168  2.62202      181.0     47.8     47.5     5.7
   18   0   2   2  17.56   35.119  2.55313        5.1      1.3      1.3     5.7
   19   1   3   1  17.986  35.972  2.49454      171.0     45.1     44.8     5.7
   20   2   2  -2  18.692  37.385  2.40348      244.6     64.5     64.0     5.7
   21   0   4   1  18.782  37.564  2.39238       37.7     10.0      9.9     5.7
   22   1   4  -1  19.055  38.11   2.35936        6.5      1.7      1.7     5.7
   23   2   3   0  19.667  39.335  2.28868       19.2      5.1      5.0     5.7
   24   2   1   1  19.733  39.467  2.28135       25.3      6.7      6.6     5.7
   25   1   1   2  20.05   40.1    2.24674       19.3      5.1      5.0     5.7
   26   0   3   2  20.09   40.181  2.24244      214.7     56.7     56.0     5.7
   27   3   1  -1  21.016  42.032  2.14787       81.1     21.4     21.1     5.7
   28   2   3  -2  21.107  42.214  2.139         40.8     10.8     10.6     5.7
   29   2   2   1  21.15   42.3    2.13486       51.2     13.5     13.3     5.7
   30   1   4   1  21.398  42.795  2.11129       11.2      3.0      2.9     5.7
   31   1   2   2  21.45   42.899  2.10641       72.4     19.1     18.8     5.7
   32   1   1  -3  21.811  43.623  2.07313      164.6     43.4     42.8     5.7
   33   3   1  -2  22.048  44.097  2.05195       67.3     17.8     17.5     5.7
   34   2   0  -3  22.09   44.18   2.04827       56.8     15.0     14.7     5.7
   35   2   4  -1  22.127  44.254  2.04502        5.5      1.4      1.4     5.7
   36   3   2  -1  22.366  44.731  2.0243       199.9     52.7     51.9     5.7
   37   1   4  -2  22.416  44.832  2.01998       96.7     25.5     25.1     5.7
   38   2   4   0  22.869  45.738  1.98205       39.6     10.4     10.3     5.7
   39   0   5   1  22.963  45.927  1.97435      161.7     42.7     41.9     5.7
   40   1   2  -3  23.124  46.249  1.96137       29.9      7.9      7.8     5.7
   41   1   5  -1  23.196  46.391  1.95567       59.5     15.7     15.4     5.7
   42   0   4   2  23.244  46.489  1.95179        6.5      1.7      1.7     5.7
   43   0   0   3  23.284  46.568  1.94864        7.6      2.0      2.0     5.7
   44   2   3   1  23.355  46.71   1.94306      224.5     59.2     58.1     5.7
   45   0   1   3  23.707  47.414  1.91585        8.3      2.2      2.2     5.7
   46   2   2  -3  23.812  47.623  1.9079        18.6      4.9      4.8     5.7
   47   3   2   0  24.137  48.273  1.88372       65.6     17.3     17.0     5.7
   48   3   3  -1  24.484  48.969  1.85859       11.6      3.1      3.0     5.7
   49   0   2   3  24.942  49.884  1.8266        52.1     13.7     13.4     5.7
   50   1   3  -3  25.194  50.388  1.80952        7.1      1.9      1.8     5.8
   51   1   5   1  25.227  50.454  1.80729        4.7      1.2      1.2     5.8
   52   3   3  -2  25.406  50.812  1.79538       42.0     11.1     10.8     5.8
   53   2   0   2  25.638  51.276  1.78025       42.5     11.2     11.0     5.8
   54   3   1  -3  25.692  51.383  1.77677       93.2     24.6     24.0     5.8
   55   2   3  -3  25.84   51.679  1.76728       16.7      4.4      4.3     5.8
   56   2   5  -1  25.873  51.745  1.7652        11.9      3.1      3.1     5.8
   57   2   1   2  26.032  52.064  1.75515        5.2      1.4      1.3     5.8
   58   0   6   0  26.146  52.292  1.748        103.4     27.3     26.6     5.8
   59   0   5   2  26.872  53.743  1.70419        4.5      1.2      1.1     5.8
   60   3   1   1  27.146  54.292  1.68826       41.1     10.8     10.5     5.8
   61   2   2   2  27.189  54.379  1.68576       62.2     16.4     16.0     5.8
   62   3   4  -1  27.241  54.482  1.68281       30.1      7.9      7.7     5.8
   63   1   6   0  27.3    54.601  1.67943       36.3      9.6      9.3     5.8
   64   1   6  -1  27.588  55.176  1.66329       29.1      7.7      7.5     5.8
   65   2   5  -2  27.694  55.387  1.65744       79.4     21.0     20.3     5.8
   66   1   1   3  27.807  55.613  1.65123       10.7      2.8      2.8     5.8
   67   1   4  -3  27.9    55.801  1.64613        5.9      1.5      1.5     5.8
   68   3   4  -2  28.098  56.197  1.63546       56.1     14.8     14.4     5.8
   69   4   0  -2  28.129  56.258  1.63381        6.3      1.7      1.6     5.8
   70   4   0  -1  28.195  56.39   1.63032        8.4      2.2      2.2     5.8
   71   3   2   1  28.272  56.544  1.62624        4.5      1.2      1.2     5.8
   72   4   1  -2  28.499  56.999  1.61434       17.3      4.6      4.4     5.8
   73   4   1  -1  28.564  57.129  1.61097       12.4      3.3      3.2     5.8
   74   2   3   2  29.049  58.097  1.58641       14.0      3.7      3.6     5.8
   75   0   4   3  29.505  59.011  1.56401        5.6      1.5      1.4     5.8
   76   2   5   1  29.565  59.131  1.56112       29.6      7.8      7.5     5.8
   77   4   2  -1  29.655  59.31   1.55682        5.4      1.4      1.4     5.8
   78   2   6  -1  29.984  59.967  1.54132       26.9      7.1      6.9     5.8
   79   1   6  -2  30.217  60.435  1.53051        8.9      2.4      2.3     5.8
   80   2   2  -4  30.527  61.055  1.51645       20.5      5.4      5.2     5.8
   81   4   1  -3  30.751  61.502  1.50648        4.4      1.1      1.1     5.8
   82   1   2  -4  30.821  61.641  1.50341       55.0     14.5     14.0     5.8
   83   4   1   0  30.937  61.875  1.4983         4.5      1.2      1.1     5.8
   84   1   5  -3  31.145  62.291  1.48929        4.9      1.3      1.3     5.8
   85   3   1  -4  31.287  62.574  1.48323       10.0      2.6      2.5     5.8
   86   4   3  -2  31.359  62.719  1.48015       20.4      5.4      5.2     5.8
   87   4   3  -1  31.421  62.842  1.47755        4.1      1.1      1.1     5.9
   88   2   6  -2  31.649  63.297  1.46801        7.1      1.9      1.8     5.9
   89   2   5  -3  31.71   63.42   1.46548        8.6      2.3      2.2     5.9
   90   4   2  -3  31.796  63.592  1.46191       39.7     10.5     10.0     5.9
   91   4   2   0  31.979  63.958  1.45444       10.8      2.9      2.7     5.9
   92   1   4   3  33.118  66.237  1.40981       12.2      3.2      3.1     5.9
   93   0   2   4  33.171  66.342  1.40783        9.4      2.5      2.4     5.9
   94   3   1   2  33.213  66.426  1.40625        8.8      2.3      2.2     5.9
   95   2   0   3  33.245  66.489  1.40507       13.9      3.7      3.5     5.9
   96   4   3  -3  33.497  66.995  1.39569        8.4      2.2      2.1     5.9
   97   2   1   3  33.581  67.162  1.39263        7.3      1.9      1.8     5.9
   98   4   3   0  33.675  67.35   1.38918        7.3      1.9      1.8     5.9
   99   1   7   1  33.902  67.804  1.38099       23.1      6.1      5.8     5.9
  100   2   2   3  34.58   69.16   1.35719       17.7      4.7      4.4     5.9
  101   1   7  -2  34.659  69.319  1.35447       10.8      2.9      2.7     5.9
  102   0   3   4  34.838  69.676  1.3484        10.4      2.7      2.6     5.9
  103   1   4  -4  34.893  69.786  1.34654       69.7     18.4     17.5     5.9
  104   2   7   0  35.003  70.005  1.34285       19.4      5.1      4.9     5.9
  105   3   6  -2  35.044  70.088  1.34148       19.0      5.0      4.8     5.9
  106   3   5   1  35.525  71.05   1.32565        7.0      1.9      1.8     5.9
  107   4   4  -3  35.811  71.621  1.31648        5.6      1.5      1.4     5.9
  108   0   8   0  35.983  71.967  1.311          6.0      1.6      1.5     5.9
  109   2   3   3  36.216  72.433  1.30371        5.8      1.5      1.4     5.9
  110   3   4  -4  36.308  72.616  1.30088       11.5      3.0      2.9     6.0
  111   1   1   4  36.415  72.831  1.29757       11.2      2.9      2.8     6.0
  112   4   5  -2  36.698  73.396  1.28896        8.8      2.3      2.2     6.0
  113   4   5  -1  36.755  73.51   1.28724       10.6      2.8      2.6     6.0
  114   5   1  -1  36.93   73.859  1.28202       15.5      4.1      3.9     6.0
  115   5   2  -2  37.047  74.094  1.27854       13.6      3.6      3.4     6.0
  116   1   2   4  37.381  74.762  1.26876        7.4      1.9      1.8     6.0
  117   4   3  -4  37.648  75.296  1.26109       18.3      4.8      4.5     6.0
  118   1   7   2  37.847  75.695  1.25543       31.3      8.3      7.8     6.0
  119   5   2  -1  37.89   75.78   1.25422        3.8      1.0      0.9     6.0
  120   3   4   2  38.112  76.225  1.24801       18.3      4.8      4.5     6.0
  121   1   1  -5  38.606  77.211  1.23451        7.8      2.1      1.9     6.0
  122   5   3  -2  38.642  77.284  1.23353        4.5      1.2      1.1     6.0
  123   4   5   0  38.866  77.732  1.22754       16.1      4.2      4.0     6.0
  124   1   3   4  38.971  77.943  1.22474        7.3      1.9      1.8     6.0
  125   1   7  -3  39.054  78.108  1.22257       15.5      4.1      3.8     6.0
  126   3   7  -2  39.222  78.443  1.21818        7.4      1.9      1.8     6.0
  127   3   2  -5  39.369  78.739  1.21435        5.7      1.5      1.4     6.0
  128   2   7  -3  39.566  79.132  1.20929        9.5      2.5      2.3     6.0
  129   5   1   0  39.811  79.623  1.20307       87.2     23.0     21.4     6.0
  130   4   4  -4  39.864  79.728  1.20174       12.2      3.2      3.0     6.0
  131   2   3  -5  40.09   80.179  1.19611        5.3      1.4      1.3     6.0
  132   4   4   1  40.142  80.283  1.19483        4.0      1.1      1.0     6.0
  133   4   6  -2  40.191  80.382  1.19361       13.4      3.5      3.3     6.0
  134   0   7   3  40.429  80.858  1.18777        4.0      1.0      1.0     6.1
  135   5   1  -4  40.543  81.087  1.18501       11.3      3.0      2.8     6.1
  136   3   1   3  40.781  81.561  1.17931       16.7      4.4      4.1     6.1
  137   5   4  -2  40.843  81.685  1.17783       19.6      5.2      4.8     6.1
  138   2   6  -4  41.012  82.024  1.17382        7.6      2.0      1.9     6.1
  139   1   4   4  41.168  82.335  1.17017       22.5      5.9      5.5     6.1
  140   4   0   2  41.232  82.465  1.16866        4.1      1.1      1.0     6.1
  141   5   2  -4  41.48   82.959  1.16295        4.1      1.1      1.0     6.1
  142   4   1   2  41.544  83.088  1.16147       12.2      3.2      3.0     6.1
  143   5   4  -1  41.664  83.328  1.15873        4.7      1.2      1.1     6.1
  144   3   7  -3  41.95   83.899  1.15229        5.2      1.4      1.3     6.1
  145   5   4  -3  42.027  84.054  1.15056       15.4      4.1      3.7     6.1
  146   4   2  -5  42.092  84.184  1.14912       16.0      4.2      3.9     6.1
  147   2   7   2  42.218  84.436  1.14633       12.6      3.3      3.1     6.1
  148   2   1   4  42.36   84.72   1.14321        9.5      2.5      2.3     6.1
  149   4   2   2  42.476  84.952  1.14068        9.7      2.6      2.4     6.1
  150   3   6  -4  42.619  85.238  1.13758       16.2      4.3      3.9     6.1
  151   4   5  -4  42.671  85.341  1.13647        5.7      1.5      1.4     6.1
  152   3   4  -5  43.113  86.226  1.12707       26.9      7.1      6.5     6.1
  153   0   6   4  43.393  86.787  1.12122       20.6      5.4      5.0     6.1
  154   4   3  -5  43.642  87.283  1.11611        7.5      2.0      1.8     6.2
  155   3   8  -2  43.896  87.792  1.11095        4.6      1.2      1.1     6.2
  156   1   5   4  43.96   87.921  1.10966        3.9      1.0      0.9     6.2
  157   1   9   1  44.067  88.134  1.10752       21.9      5.8      5.3     6.2
  158   3   6   2  44.36   88.719  1.10172        9.3      2.4      2.2     6.2
  159   5   5  -1  44.453  88.906  1.09989       10.1      2.7      2.4     6.2
  160   6   0  -2  44.591  89.183  1.09719        6.9      1.8      1.7     6.2
  161   2   6   3  44.698  89.396  1.09513        5.5      1.5      1.3     6.2
  162   1   9  -2  44.772  89.544  1.0937         5.4      1.4      1.3     6.2
  163   6   1  -2  44.901  89.801  1.09124        4.5      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)