Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

                            ***

          ***      W W W - X R A Y P O L       ***
                  ***********************
KARLITE

1, DN

[Mg(6.05)Al(0.3)Fe(0.15)][BO(3)](3)(OH)(4)Cl(0.4)


Orthorhombic  P 2(1)2(1)2  Z = 4

R =0.042          NR =875

18 .10 .1997

Ref.Str.:

         Bonazzi P., Sabelli C. et al. (1986)

         * Neues Jb. Miner., Mh., H.6, 253-262

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  17.637    alpha =   90.0 
             b =  17.967    beta  =   90.0 
             c =   3.104    gamma =   90.0 

    Unit cell volume (cub. angs.) =   983.61

    Molar volume ( cub.cm/mol.) =   148.12

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

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

   1 0.1608  0.3954  0.467    0.79   O     = 1.00
   2 0.3045  0.1938  0.003    0.88   O     = 1.00
   3 0.1797  0.2472  0.954    0.3    O     = 1.00
   4 0.2915  0.3271  0.953    0.31   O     = 1.00
   5 0.0394  0.3228  0.991    0.62   O     = 1.00
   6 0.0643  0.1852  0.445    0.52   O     = 1.00
   7 0.4104  0.1291  0.504    0.75   O     = 1.00
   8 0.0816  0.0301  0.764    0.5    O     = 1.00
   9 0.3078  0.4569  0.464    0.57   O     = 1.00
  10 0.3143  0.0351  0.998    0.68   O     = 1.00
  11 0.187   0.0918  0.47     0.57   O     = 1.00
  12 0.4556  0.3914  0.772    0.68   O     = 1.00
  13 0.4335  0.2744  0.484    0.7    O     = 1.00
  14 0.0     0.5     0.943   10.16   Cl    = 0.4 , Cl    = 0.0 
  15 0.4259  0.1984  0.999    0.53   Mg    = 1.00
  16 0.2985  0.1089  0.498    0.29   Mg    = 1.00
  17 0.3596  0.3601  0.447    0.71   Mg    = 1.00
  18 0.1265  0.143   0.956    0.47   Mg    = 1.00
  19 0.2295  0.4303  0.96     0.48   Mg    = 1.00
  20 0.1108  0.2929  0.47     0.52   Mg    = 1.00
  21 0.0     0.0     0.23     0.89   Mg    = 1.00
  22 0.2582  0.2555  0.968    0.46   B     = 1.00
  23 0.1527  0.0245  0.585    0.46   B     = 1.00
  24 0.4869  0.3275  0.602    0.51   B     = 1.00
  25 0.114   0.426   0.46     2.0    H     = 1.00
  26 0.026   0.378   0.976    2.0    H     = 1.00
  27 0.058   0.583   0.513    2.0    H     = 1.00
  28 0.13    0.525   0.984    2.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1608     0.3954     0.467 
     2       2     0.3045     0.1938     0.003 
     3       3     0.1797     0.2472     0.954 
     4       4     0.2915     0.3271     0.953 
     5       5     0.0394     0.3228     0.991 
     6       6     0.0643     0.1852     0.445 
     7       7     0.4104     0.1291     0.504 
     8       8     0.0816     0.0301     0.764 
     9       9     0.3078     0.4569     0.464 
    10      10     0.3143     0.0351     0.998 
    11      11     0.187      0.0918     0.47  
    12      12     0.4556     0.3914     0.772 
    13      13     0.4335     0.2744     0.484 
    14      14     0.0        0.5        0.943 
    15      15     0.4259     0.1984     0.999 
    16      16     0.2985     0.1089     0.498 
    17      17     0.3596     0.3601     0.447 
    18      18     0.1265     0.143      0.956 
    19      19     0.2295     0.4303     0.96  
    20      20     0.1108     0.2929     0.47  
    21      21     0.0        0.0        0.23  
    22      22     0.2582     0.2555     0.968 
    23      23     0.1527     0.0245     0.585 
    24      24     0.4869     0.3275     0.602 
    25      25     0.114      0.426      0.46  
    26      26     0.026      0.378      0.976 
    27      27     0.058      0.583      0.513 
    28      28     0.13       0.525      0.984 
    29       1     0.8392     0.6046     0.467 
    30       2     0.6955     0.8062     0.003 
    31       3     0.8203     0.7528     0.954 
    32       4     0.7085     0.6729     0.953 
    33       5     0.9606     0.6772     0.991 
    34       6     0.9357     0.8148     0.445 
    35       7     0.5896     0.8709     0.504 
    36       8     0.9184     0.9699     0.764 
    37       9     0.6922     0.5431     0.464 
    38      10     0.6857     0.9649     0.998 
    39      11     0.813      0.9082     0.47  
    40      12     0.5444     0.6086     0.772 
    41      13     0.5665     0.7256     0.484 
    42      15     0.5741     0.8016     0.999 
    43      16     0.7015     0.8911     0.498 
    44      17     0.6404     0.6399     0.447 
    45      18     0.8735     0.857      0.956 
    46      19     0.7705     0.5697     0.96  
    47      20     0.8892     0.7071     0.47  
    48      22     0.7418     0.7445     0.968 
    49      23     0.8473     0.9755     0.585 
    50      24     0.5131     0.6725     0.602 
    51      25     0.886      0.574      0.46  
    52      26     0.974      0.622      0.976 
    53      27     0.942      0.417      0.513 
    54      28     0.87       0.475      0.984 
    55       1     0.3392     0.8954     0.533 
    56       2     0.1955     0.6938     0.997 
    57       3     0.3203     0.7472     0.046 
    58       4     0.2085     0.8271     0.047 
    59       5     0.4606     0.8228     0.009 
    60       6     0.4357     0.6852     0.555 
    61       7     0.0896     0.6291     0.496 
    62       8     0.4184     0.5301     0.236 
    63       9     0.1922     0.9569     0.536 
    64      10     0.1857     0.5351     0.002 
    65      11     0.313      0.5918     0.53  
    66      12     0.0444     0.8914     0.228 
    67      13     0.0665     0.7744     0.516 
    68      14     0.5        0.0        0.057 
    69      15     0.0741     0.6984     0.001 
    70      16     0.2015     0.6089     0.502 
    71      17     0.1404     0.8601     0.553 
    72      18     0.3735     0.643      0.044 
    73      19     0.2705     0.9303     0.04  
    74      20     0.3892     0.7929     0.53  
    75      21     0.5        0.5        0.77  
    76      22     0.2418     0.7555     0.032 
    77      23     0.3473     0.5245     0.415 
    78      24     0.0131     0.8275     0.398 
    79      25     0.386      0.926      0.54  
    80      26     0.474      0.878      0.024 
    81      27     0.442      0.083      0.487 
    82      28     0.37       0.025      0.016 
    83       1     0.6608     0.1046     0.533 
    84       2     0.8045     0.3062     0.997 
    85       3     0.6797     0.2528     0.046 
    86       4     0.7915     0.1729     0.047 
    87       5     0.5394     0.1772     0.009 
    88       6     0.5643     0.3148     0.555 
    89       7     0.9104     0.3709     0.496 
    90       8     0.5816     0.4699     0.236 
    91       9     0.8078     0.0431     0.536 
    92      10     0.8143     0.4649     0.002 
    93      11     0.687      0.4082     0.53  
    94      12     0.9556     0.1086     0.228 
    95      13     0.9335     0.2256     0.516 
    96      15     0.9259     0.3016     0.001 
    97      16     0.7985     0.3911     0.502 
    98      17     0.8596     0.1399     0.553 
    99      18     0.6265     0.357      0.044 
   100      19     0.7295     0.0697     0.04  
   101      20     0.6108     0.2071     0.53  
   102      22     0.7582     0.2445     0.032 
   103      23     0.6527     0.4755     0.415 
   104      24     0.9869     0.1725     0.398 
   105      25     0.614      0.074      0.54  
   106      26     0.526      0.122      0.024 
   107      27     0.558      0.917      0.487 
   108      28     0.63       0.975      0.016 


X-ray density (g/cm cub.)   =      2.76

MU (1/cm) =      62.922    Mass attenuation coefficient (cm**2/g) =     22.76 

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

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

    1    O                   3.804       13
                                                 3.104        1
                                                 3.104        1
                                                 3.08         3
                                                 3.1204       3
                                                 3.0158       4
                                                 3.0602       4
                                                 2.9885       5
                                                 2.9101       5
                                                 2.8183       9
                                                 3.7092      14
                                                 3.771       14
                                                 3.0415      10
                                                 2.9285      10
    2    O                   3.804       11
                                                 3.104        2
                                                 3.104        2
                                                 2.4059       3
                                                 2.411        4
                                                 2.6941       7
                                                 2.6905       7
                                                 2.8566      10
                                                 3.1232      11
                                                 3.2234      11
                                                 3.0826      13
                                                 3.1415      13
    3    O                   3.804       11
                                                 3.1204       1
                                                 3.08         1
                                                 2.4059       2
                                                 3.104        3
                                                 3.104        3
                                                 2.439        4
                                                 2.8251       5
                                                 2.776        6
                                                 2.8071       6
                                                 3.2214      11
                                                 3.1732      11
    4    O                   3.804       11
                                                 3.0602       1
                                                 3.0158       1
                                                 2.411        2
                                                 2.439        3
                                                 3.104        4
                                                 3.104        4
                                                 2.835        9
                                                 2.7974       9
                                                 3.1665      12
                                                 3.1441      13
                                                 3.0476      13
    5    O                   3.804       12
                                                 2.9101       1
                                                 2.9885       1
                                                 2.8251       3
                                                 3.104        5
                                                 3.104        5
                                                 2.8794       6
                                                 3.0294       6
                                                 3.2621      14
                                                 2.8949       7
                                                 2.8782       7
                                                 3.0322      13
                                                 2.9517      13
    6    O                   3.804       13
                                                 2.8071       3
                                                 2.776        3
                                                 3.0294       5
                                                 2.8794       5
                                                 3.104        6
                                                 3.104        6
                                                 2.9731       8
                                                 3.511        8
                                                 2.7396      11
                                                 3.3877      12
                                                 2.4542      12
                                                 2.4284      13
                                                 3.7635      13
    7    O                   3.804       11
                                                 2.6905       2
                                                 2.6941       2
                                                 3.104        7
                                                 3.104        7
                                                 2.8419      10
                                                 2.8622      10
                                                 2.6429      13
                                                 3.29        14
                                                 3.1309      14
                                                 2.8949       5
                                                 2.8782       5
    8    O                   3.804       13
                                                 3.511        6
                                                 2.9731       6
                                                 3.104        8
                                                 3.104        8
                                                 3.0801      11
                                                 2.3489      11
                                                 3.0749       8
                                                 3.3581       9
                                                 2.4567       9
                                                 2.9521      12
                                                 3.0674      12
                                                 3.0003      12
                                                 3.1138      12
    9    O                   3.804       13
                                                 2.8183       1
                                                 2.7974       4
                                                 2.835        4
                                                 3.104        9
                                                 3.104        9
                                                 3.0156      12
                                                 3.5768      12
                                                 3.3581       8
                                                 2.4567       8
                                                 3.066       10
                                                 2.9442      10
                                                 2.4341      11
                                                 3.7799      11
   10    O                   3.804       12
                                                 2.8566       2
                                                 2.8622       7
                                                 2.8419       7
                                                 3.104       10
                                                 3.104       10
                                                 2.868       11
                                                 2.9605      11
                                                 3.0415       1
                                                 2.9285       1
                                                 3.066        9
                                                 2.9442       9
                                                 3.3404      14
   11    O                   3.804       13
                                                 3.2234       2
                                                 3.1232       2
                                                 3.1732       3
                                                 3.2214       3
                                                 2.7396       6
                                                 2.3489       8
                                                 3.0801       8
                                                 2.9605      10
                                                 2.868       10
                                                 3.104       11
                                                 3.104       11
                                                 2.4341       9
                                                 3.7799       9
   12    O                   3.804       13
                                                 3.1665       4
                                                 3.5768       9
                                                 3.0156       9
                                                 3.104       12
                                                 3.104       12
                                                 3.0749      13
                                                 2.3173      13
                                                 2.9521       8
                                                 3.0674       8
                                                 3.3877       6
                                                 2.4542       6
                                                 3.0003       8
                                                 3.1138       8
   13    O                   3.804       13
                                                 3.1415       2
                                                 3.0826       2
                                                 3.0476       4
                                                 3.1441       4
                                                 2.6429       7
                                                 2.3173      12
                                                 3.0749      12
                                                 3.104       13
                                                 3.104       13
                                                 3.0322       5
                                                 2.9517       5
                                                 2.4284       6
                                                 3.7635       6
   14   Cl   ,Cl             4.344       14
                                                 3.771        1
                                                 3.7092       1
                                                 3.2621       5
                                                 3.104       14
                                                 3.104       14
                                                 3.771        1
                                                 3.7092       1
                                                 3.2621       5
                                                 3.29         7
                                                 3.1309       7
                                                 3.3404      10
                                                 3.29         7
                                                 3.1309       7
                                                 3.3404      10
   15    Mg                  3.06         6
                                                 2.1428       2
                                                 2.0204       7
                                                 1.9964       7
                                                 2.0369      13
                                                 2.1066      13
                                                 2.038        5
   16    Mg                  3.06         6
                                                 2.1898       2
                                                 2.1677       2
                                                 2.0068       7
                                                 2.0602      10
                                                 2.0602      10
                                                 1.9923      11
   17    Mg                  3.06         6
                                                 2.0642       4
                                                 2.036        4
                                                 1.9653       9
                                                 2.0496      12
                                                 2.7519      12
                                                 2.0206      13
   18    Mg                  3.06         6
                                                 2.0941       3
                                                 2.0205       6
                                                 2.0722       6
                                                 2.2577       8
                                                 2.1284      11
                                                 2.0641      11
   19    Mg                  3.06         6
                                                 2.0828       1
                                                 2.0501       1
                                                 2.1527       4
                                                 2.1408       9
                                                 2.1227       9
                                                 2.0394      10
   20    Mg                  3.06         6
                                                 2.0419       1
                                                 2.0995       3
                                                 2.1717       3
                                                 2.1189       5
                                                 2.0211       5
                                                 2.1031       6
   21    Mg                  3.06         6
                                                 2.2608       8
                                                 2.1109       8
                                                 2.2608       8
                                                 2.1109       8
                                                 2.1025      12
                                                 2.1025      12
   22    B                   2.412        3
                                                 1.3811       2
                                                 1.3932       3
                                                 1.4149       4
   23    B                   2.412        3
                                                 1.3753       8
                                                 1.3984      11
                                                 1.4084       9
   24    B                   2.412        3
                                                 1.3789      12
                                                 1.3897      13
                                                 1.3917       6
   25    H                   2.172        1
                                                 0.992        1
   26    H                   2.172        1
                                                 1.0206       5
   27    H                   2.172        1
                                                 0.9997       7
   28    H                   2.172        1
                                                 1.0006      10

  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   1   0  3.509   7.017   0.04   530.99    4       49.9      546.5
    2   0   2   0  4.919   9.838   0.056  269.05    2       57.4      183.3
    3   2   0   0  5.011  10.022   0.057  259.15    2       45.7      111.8
    4   1   2   0  5.522  11.044   0.062  213.02    4        9.9        8.6
    5   2   1   0  5.584  11.168   0.063  208.27    4        7.0        4.2
    6   2   2   0  7.031  14.061   0.079  130.54    4       51.9      145.6
    7   1   3   0  7.807  15.613   0.088  105.46    4       31.7       43.9
    8   3   1   0  7.924  15.848   0.089  102.29    4       18.1       13.8
    9   2   3   0  8.944  17.888   0.101   79.81    4       15.7        8.1
   10   3   2   0  9.009  18.017   0.102   78.64    4       29.0       27.4
   11   0   4   0  9.874  19.749   0.111   65.09    2       48.9       32.2
   12   4   0   0 10.061  20.122   0.113   62.62    2       42.4       23.3
   13   1   4   0 10.193  20.386   0.115   60.95    4        0.7        0.0
   14   4   1   0 10.363  20.726   0.117   58.9     4        2.6        0.2
   15   3   3   0 10.58   21.159   0.119   56.43    4       19.1        8.5
   16   2   4   0 11.096  22.192   0.125   51.1     4       31.7       21.2
   17   4   2   0 11.222  22.443   0.126   49.92    4       51.9       55.6
   18   3   4   0 12.463  24.926   0.14    40.07    4       24.0        9.6
   19   4   3   0 12.529  25.058   0.141   39.63    4       14.4        3.4
   20   1   5   0 12.636  25.273   0.142   38.93    4       14.2        3.2
   21   5   1   0 12.858  25.716   0.144   37.52    4       29.5       13.5
   22   2   5   0 13.384  26.768   0.15    34.48    4       40.1       22.9
   23   5   2   0 13.568  27.136   0.152   33.49    4       15.3        3.2
   24   4   4   0 14.17   28.34    0.159   30.54    4       49.3       30.7
   25   0   0   1 14.368  28.737   0.161   29.65    2       16.1        1.6
   26   3   5   0 14.55   29.101   0.163   28.87    4        4.1        0.2
   27   0   1   1 14.586  29.172   0.163   28.71    4        6.9        0.6
   28   1   0   1 14.594  29.188   0.164   28.68    4       16.3        3.2
   29   5   3   0 14.681  29.361   0.165   28.32    4       19.0        4.2
   30   1   1   1 14.809  29.617   0.166   27.8     8       33.4       25.6
   31   0   6   0 14.906  29.812   0.167   27.41    2       37.7        8.1
   32   1   6   0 15.124  30.248   0.169   26.57    4       22.9        5.8
   33   6   0   0 15.191  30.383   0.17    26.32    2        6.8        0.2
   34   0   2   1 15.222  30.443   0.17    26.21    4       32.5       11.4
   35   2   0   1 15.253  30.506   0.171   26.09    4       33.6       12.1
   36   6   1   0 15.398  30.797   0.172   25.57    4       90.3       86.2
   37   1   2   1 15.436  30.872   0.173   25.43    8       10.7        2.4
   38   2   1   1 15.459  30.918   0.173   25.35    8       26.1       14.2
   39   2   6   0 15.763  31.526   0.176   24.31    4      118.2      140.4
   40   6   2   0 16.005  32.009   0.179   23.53    4       82.5       66.2
   41   4   5   0 16.053  32.106   0.179   23.37    4       38.4       14.2
   42   2   2   1 16.063  32.127   0.18    23.34    8       65.9       83.7
   43   5   4   0 16.12   32.241   0.18    23.16    4       41.6       16.6
   44   0   3   1 16.231  32.462   0.181   22.82    4       13.2        1.6
   45   3   0   1 16.297  32.595   0.182   22.62    4       57.7       31.1
   46   1   3   1 16.433  32.867   0.184   22.22    8       18.2        6.1
   47   3   1   1 16.492  32.984   0.184   22.05    8       15.8        4.6
   48   3   6   0 16.779  33.558   0.187   21.24    4       40.2       14.2
   49   6   3   0 16.972  33.944   0.189   20.71    4        3.4        0.1
   50   2   3   1 17.028  34.056   0.19    20.57    8       51.4       45.0
   51   3   2   1 17.063  34.127   0.19    20.47    8       85.5      123.9
   52   0   4   1 17.556  35.113   0.196   19.24    4       89.0       63.1
   53   1   7   0 17.654  35.308   0.197   19.01    4       80.9       51.5
   54   4   0   1 17.667  35.334   0.197   18.98    4      106.5       89.0
   55   1   4   1 17.746  35.491   0.198   18.79    8       69.8       75.7
   56   5   5   0 17.818  35.637   0.199   18.63    4       57.3       25.3
   57   4   1   1 17.848  35.696   0.199   18.56    8       69.8       74.8
   58   3   3   1 17.98   35.961   0.2     18.26    8      111.5      187.9
   59   7   1   0 17.982  35.963   0.2     18.26    4       63.5       30.5
   60   4   6   0 18.116  36.232   0.202   17.96    4       32.2        7.7
   61   2   7   0 18.213  36.427   0.203   17.75    4        1.3        0.0
   62   6   4   0 18.25   36.501   0.203   17.67    4       21.0        3.2
   63   2   4   1 18.303  36.605   0.204   17.56    8       60.0       52.3
   64   4   2   1 18.383  36.765   0.205   17.4     8       26.7       10.2
   65   7   2   0 18.513  37.025   0.206   17.13    4       13.5        1.3
   66   3   7   0 19.115  38.229   0.213   15.96    4       69.8       32.2
   67   0   5   1 19.143  38.285   0.213   15.91    4       10.0        0.7
   68   3   4   1 19.2    38.401   0.213   15.8     8       25.0        8.2
   69   4   3   1 19.245  38.49    0.214   15.72    8       14.5        2.7
   70   5   0   1 19.303  38.605   0.215   15.62    4       37.2        9.0
   71   1   5   1 19.318  38.637   0.215   15.59    8       95.4      117.4
   72   7   3   0 19.37   38.741   0.215   15.5     4       59.9       23.0
   73   5   1   1 19.471  38.941   0.216   15.32    8       70.9       63.7
   74   5   6   0 19.72   39.44    0.219   14.9     4        7.9        0.4
   75   6   5   0 19.789  39.577   0.22    14.78    4        3.3        0.1
   76   2   5   1 19.838  39.675   0.22    14.7     8       53.6       34.9
   77   5   2   1 19.968  39.936   0.222   14.49    8      123.7      183.3
   78   0   8   0 20.058  40.117   0.223   14.34    2        0.1        0.0
   79   1   8   0 20.227  40.455   0.224   14.08    4        9.9        0.6
   80   4   7   0 20.319  40.638   0.225   13.94    4      153.2      135.2
   81   4   4   1 20.401  40.801   0.226   13.81    8       37.6       16.2
   82   8   0   0 20.45   40.9     0.227   13.74    2      101.0       28.9
   83   7   4   0 20.52   41.04    0.228   13.63    4       17.7        1.8
   84   8   1   0 20.611  41.221   0.228   13.5     4       46.7       12.2
   85   3   5   1 20.679  41.357   0.229   13.4     8       10.6        1.3
   86   2   8   0 20.727  41.455   0.23    13.33    4       10.1        0.6
   87   5   3   1 20.775  41.55    0.23    13.26    8       45.2       22.4
   88   0   6   1 20.942  41.884   0.232   13.03    4       54.8       16.2
   89   8   2   0 21.085  42.171   0.234   12.83    4       24.8        3.3
   90   1   6   1 21.105  42.21    0.234   12.8     8       56.1       33.3
   91   6   0   1 21.156  42.311   0.234   12.73    4       27.7        4.0
   92   6   1   1 21.312  42.623   0.236   12.53    8       22.8        5.4
   93   3   8   0 21.54   43.08    0.238   12.23    4       86.9       38.2
   94   6   6   0 21.543  43.086   0.238   12.23    4       11.6        0.7
   95   2   6   1 21.589  43.177   0.239   12.17    8       13.7        1.9
   96   6   2   1 21.774  43.548   0.241   11.94    8       47.8       22.5
   97   5   7   0 21.786  43.572   0.241   11.92    4       30.7        4.6
   98   4   5   1 21.811  43.623   0.241   11.89    8       26.4        6.9
   99   8   3   0 21.858  43.717   0.242   11.83    4       22.0        2.4
  100   5   4   1 21.863  43.726   0.242   11.83    8        1.9        0.0
  101   7   5   0 21.924  43.849   0.242   11.75    4       27.9        3.8
  102   3   6   1 22.376  44.752   0.247   11.23    8       30.6        8.7
  103   6   3   1 22.528  45.056   0.249   11.06    8       30.3        8.4
  104   4   8   0 22.638  45.276   0.25    10.93    4       49.4       11.1
  105   1   9   0 22.849  45.699   0.252   10.71    4       13.3        0.8
  106   8   4   0 22.905  45.811   0.253   10.65    4       23.9        2.5
  107   0   7   1 22.918  45.836   0.253   10.63    4        7.1        0.2
  108   1   7   1 23.07   46.14    0.254   10.48    8       37.6       12.3
  109   7   0   1 23.189  46.377   0.256   10.36    4        8.5        0.3
  110   5   5   1 23.202  46.404   0.256   10.34    8       17.2        2.5
  111   9   1   0 23.291  46.582   0.257   10.25    4       23.3        2.3
  112   2   9   0 23.304  46.608   0.257   10.24    4       20.3        1.7
  113   7   1   1 23.334  46.667   0.257   10.21    8       22.7        4.3
  114   4   6   1 23.443  46.885   0.258   10.1     8       15.0        1.9
  115   6   7   0 23.479  46.957   0.259   10.07    4       10.1        0.4
  116   2   7   1 23.521  47.043   0.259   10.03    8       81.3       54.8
  117   7   6   0 23.549  47.099   0.259   10.0     4       71.5       21.2
  118   6   4   1 23.551  47.103   0.259   10.0     8       55.0       25.0
  119   9   2   0 23.723  47.445   0.261    9.84    4      133.7       72.7
  120   7   2   1 23.765  47.53    0.262    9.8     8       48.0       18.7
  121   5   8   0 23.991  47.982   0.264    9.59    4        1.6        0.0
  122   3   9   0 24.047  48.094   0.265    9.54    4       81.1       26.0
  123   8   5   0 24.199  48.398   0.266    9.4     4       38.6        5.8
  124   3   7   1 24.259  48.519   0.267    9.35    8       10.2        0.8
  125   9   3   0 24.43   48.859   0.268    9.2     4        0.5        0.0
  126   7   3   1 24.471  48.942   0.269    9.17    8       16.7        2.1
  127   5   6   1 24.762  49.524   0.272    8.92    8       54.3       21.8
  128   6   5   1 24.82   49.639   0.272    8.88    8       99.7       72.9
  129   0   8   1 25.045  50.091   0.275    8.69    4       74.2       19.8
  130   4   9   0 25.059  50.118   0.275    8.68    4       24.8        2.2
  131   1   8   1 25.188  50.375   0.276    8.58    8       42.3       12.7
  132   4   7   1 25.265  50.53    0.277    8.52    8       31.0        6.8
  133   7   7   0 25.366  50.732   0.278    8.45    4       49.8        8.7
  134   8   0   1 25.376  50.751   0.278    8.44    4       15.7        0.9
  135   0  10   0 25.386  50.773   0.278    8.43    2       50.9        4.5
  136   9   4   0 25.394  50.789   0.278    8.42    4        8.5        0.2
  137   7   4   1 25.435  50.869   0.279    8.39    8       79.9       44.4
  138   8   1   1 25.511  51.023   0.28     8.34    8       48.4       16.2
  139   1  10   0 25.527  51.054   0.28     8.33    4       49.1        8.3
  140   6   8   0 25.571  51.141   0.28     8.29    4       77.5       20.6
  141   2   8   1 25.611  51.221   0.281    8.26    8       39.6       10.7
  142   8   6   0 25.713  51.427   0.282    8.19    4       48.3        7.9
  143  10   0   0 25.896  51.792   0.283    8.06    2       56.0        5.2
  144   8   2   1 25.916  51.831   0.284    8.04    8       66.0       28.9
  145   2  10   0 25.946  51.892   0.284    8.02    4       59.0       11.5
  146  10   1   0 26.03   52.06    0.285    7.96    4       44.0        6.4
  147   3   8   1 26.305  52.61    0.288    7.77    8       73.2       34.5
  148   6   6   1 26.308  52.615   0.288    7.77    8       37.2        8.9
  149   5   9   0 26.318  52.636   0.288    7.77    4       10.3        0.3
  150  10   2   0 26.428  52.857   0.289    7.69    4       24.5        1.9
  151   5   7   1 26.517  53.034   0.29     7.63    8       23.4        3.4
  152   8   3   1 26.579  53.159   0.29     7.59    8      112.1       78.8
  153   9   5   0 26.597  53.195   0.291    7.58    4       21.2        1.4
  154   3  10   0 26.634  53.269   0.291    7.56    4       42.7        5.7
  155   7   5   1 26.636  53.273   0.291    7.56    8       61.3       23.4
  156  10   3   0 27.083  54.167   0.296    7.28    4        3.4        0.0
  157   4   8   1 27.256  54.512   0.297    7.17    8       22.8        3.1
  158   0   9   1 27.307  54.614   0.298    7.14    4       13.2        0.5
  159   7   8   0 27.352  54.703   0.298    7.11    4       69.1       14.0
  160   8   7   0 27.425  54.85    0.299    7.07    4       14.3        0.6
  161   1   9   1 27.441  54.882   0.299    7.06    8       44.3       11.4
  162   8   4   1 27.49   54.98    0.3      7.03    8       55.8       18.1
  163   4  10   0 27.577  55.155   0.301    6.98    4       30.1        2.6
  164   9   0   1 27.7    55.401   0.302    6.91    4        3.3        0.0
  165   6   9   0 27.802  55.604   0.303    6.85    4        1.2        0.0
  166   9   1   1 27.828  55.656   0.303    6.84    8       32.8        6.1
  167   2   9   1 27.84   55.68    0.303    6.83    8      140.0      110.7
  168  10   4   0 27.983  55.965   0.305    6.76    4       32.1        2.9
  169   6   7   1 27.994  55.987   0.305    6.75    8       38.4        8.2
  170   9   6   0 28.018  56.037   0.305    6.74    4        7.9        0.2
  171   7   6   1 28.056  56.112   0.305    6.71    8       24.9        3.4
  172   9   2   1 28.209  56.418   0.307    6.63    8       58.2       18.6
  173   1  11   0 28.269  56.538   0.307    6.6     4       35.2        3.4
  174   5   8   1 28.447  56.893   0.309    6.51    8       47.0       11.9
  175   3   9   1 28.496  56.993   0.31     6.48    8       48.0       12.3
  176   8   5   1 28.631  57.263   0.311    6.41    8       51.0       13.8
  177   2  11   0 28.66   57.32    0.311    6.4     4       30.1        2.4
  178   5  10   0 28.759  57.518   0.312    6.35    4       22.9        1.4
  179   9   3   1 28.837  57.673   0.313    6.31    8       82.0       35.1
  180  11   1   0 28.837  57.675   0.313    6.31    4        6.6        0.1
  181  10   5   0 29.112  58.223   0.316    6.18    4        9.6        0.2
  182  11   2   0 29.21   58.419   0.317    6.13    4       11.7        0.3
  183   3  11   0 29.305  58.609   0.318    6.09    4       55.4        7.7
  184   8   8   0 29.314  58.628   0.318    6.08    4       50.9        6.5
  185   4   9   1 29.4    58.799   0.319    6.04    8       19.5        1.9
  186   7   9   0 29.491  58.981   0.32     6.0     4        9.3        0.2
  187   9   7   0 29.639  59.278   0.321    5.93    4       82.1       16.5
  188   7   7   1 29.675  59.351   0.321    5.92    8       99.7       48.7
  189   0  10   1 29.694  59.387   0.322    5.91    4       60.9        9.1
  190   9   4   1 29.701  59.402   0.322    5.9     8       39.2        7.5
  191   0   0   2 29.756  59.513   0.322    5.88    2      275.7       92.4
  192   1  10   1 29.82   59.641   0.323    5.85    8       87.4       37.0
  193  11   3   0 29.824  59.647   0.323    5.85    4       94.1       21.4
  194   6   8   1 29.86   59.719   0.323    5.83    8       26.6        3.4
  195   0   1   2 29.879  59.757   0.323    5.83    4       32.9        2.6
  196   1   0   2 29.883  59.766   0.323    5.82    4       21.5        1.1
  197   8   6   1 29.988  59.977   0.324    5.78    8       58.2       16.2
  198   1   1   2 30.005  60.01    0.325    5.77    8       78.0       29.1
  199  10   0   1 30.154  60.307   0.326    5.71    4       20.7        1.0
  200   6  10   0 30.163  60.326   0.326    5.7     4       15.6        0.6
  201   4  11   0 30.193  60.385   0.326    5.69    4       29.0        2.0
  202   2  10   1 30.199  60.398   0.327    5.69    8       62.2       18.2
  203   0   2   2 30.243  60.486   0.327    5.67    4       88.9       18.5
  204   2   0   2 30.261  60.522   0.327    5.66    4       92.2       19.9
  205  10   1   1 30.275  60.549   0.327    5.66    8       49.1       11.3
  206   1   2   2 30.368  60.737   0.328    5.62    8       24.3        2.7
  207   2   1   2 30.382  60.764   0.328    5.61    8       19.6        1.8
  208  10   6   0 30.455  60.91    0.329    5.58    4       13.7        0.4
  209   5   9   1 30.536  61.072   0.33     5.55    8       39.3        7.1
  210  10   2   1 30.636  61.272   0.331    5.51    8        9.3        0.4
  211  11   4   0 30.671  61.342   0.331    5.5     4       64.2        9.4
  212   2   2   2 30.743  61.486   0.332    5.47    8       79.0       28.2
  213   9   5   1 30.79   61.58    0.332    5.45    8       77.8       27.3
  214   3  10   1 30.824  61.647   0.333    5.44    8       11.4        0.6
  215   0   3   2 30.844  61.689   0.333    5.43    4        8.1        0.1
  216   3   0   2 30.885  61.77    0.333    5.41    4        0.3        0.0
  217   0  12   0 30.962  61.923   0.334    5.38    2       45.8        2.3
  218   1   3   2 30.968  61.937   0.334    5.38    8       19.2        1.6
  219   3   1   2 31.004  62.009   0.334    5.37    8       25.9        3.0
  220   1  12   0 31.085  62.171   0.335    5.33    4       76.8       13.0
  221  10   3   1 31.233  62.467   0.337    5.28    8       74.3       24.1
  222   5  11   0 31.312  62.624   0.337    5.25    4       30.2        2.0
  223   2   3   2 31.339  62.677   0.338    5.24    8       16.9        1.2
  224   3   2   2 31.361  62.722   0.338    5.23    8       23.1        2.3
  225   8   9   0 31.368  62.736   0.338    5.23    4        3.6        0.0
  226   9   8   0 31.444  62.888   0.339    5.2     4       40.5        3.5
  227   2  12   0 31.455  62.91    0.339    5.2     4       14.5        0.5
  228   7   8   1 31.479  62.958   0.339    5.19    8       23.5        2.4
  229   8   7   1 31.546  63.092   0.34     5.16    8       65.0       18.1
  230  12   0   0 31.607  63.214   0.34     5.14    2       26.0        0.7
  231   0   4   2 31.675  63.351   0.341    5.12    4       53.1        6.0
  232   4  10   1 31.686  63.372   0.341    5.12    8       24.6        2.6
  233  12   1   0 31.725  63.45    0.341    5.1     4       32.8        2.3
  234  11   5   0 31.74   63.48    0.341    5.1     4        6.5        0.1
  235   4   0   2 31.747  63.493   0.342    5.09    4       51.8        5.6
  236   7  10   0 31.773  63.546   0.342    5.08    4       11.1        0.3
  237   1   4   2 31.798  63.595   0.342    5.08    8       10.2        0.4
  238   4   1   2 31.864  63.728   0.343    5.05    8       10.6        0.5
  239   6   9   1 31.892  63.785   0.343    5.04    8       44.7        8.3
  240   3   3   2 31.95   63.901   0.344    5.02    8       11.9        0.6
  241  10   7   0 31.999  63.999   0.344    5.01    4       46.8        4.5
  242  10   4   1 32.059  64.117   0.345    4.99    8       32.6        4.4
  243   3  12   0 32.065  64.131   0.345    4.98    4       21.7        1.0
  244  12   2   0 32.077  64.154   0.345    4.98    4       26.3        1.4
  245   9   6   1 32.092  64.183   0.345    4.98    8      147.6       89.6
  246   2   4   2 32.162  64.325   0.346    4.95    8       19.7        1.6
  247   0  11   1 32.201  64.403   0.346    4.94    4       58.8        7.1
  248   4   2   2 32.215  64.431   0.346    4.93    8       26.0        2.8
  249   1  11   1 32.323  64.645   0.347    4.9     8       31.4        4.0
  250   6  11   0 32.65   65.3     0.35     4.79    4       92.9       17.1
  251  12   3   0 32.659  65.318   0.35     4.79    4       81.2       13.1
  252   2  11   1 32.684  65.369   0.351    4.78    8       84.7       28.3
  253   0   5   2 32.726  65.453   0.351    4.77    4        0.9        0.0
  254  11   0   1 32.733  65.466   0.351    4.77    4        8.2        0.1
  255   3   4   2 32.766  65.531   0.351    4.76    8        3.2        0.0
  256   5  10   1 32.776  65.552   0.351    4.75    8       13.2        0.7
  257   4   3   2 32.796  65.593   0.352    4.75    8       26.7        2.8
  258   5   0   2 32.836  65.671   0.352    4.73    4        9.4        0.2
  259   1   5   2 32.846  65.693   0.352    4.73    8       32.6        4.2
  260  11   1   1 32.848  65.697   0.352    4.73    8       12.8        0.6
  261   4  12   0 32.91   65.819   0.353    4.71    4       97.6       18.6
  262   5   1   2 32.951  65.902   0.353    4.7     8       28.9        3.3
  263  11   6   0 33.021  66.042   0.354    4.68    4      105.8       21.7
  264  10   5   1 33.103  66.206   0.355    4.65    8       48.7        9.1
  265  11   2   1 33.194  66.388   0.355    4.63    8       22.2        1.9
  266   2   5   2 33.205  66.41    0.355    4.62    8        6.4        0.2
  267   3  11   1 33.283  66.565   0.356    4.6     8       42.3        6.8
  268   8   8   1 33.291  66.583   0.356    4.6     8       48.7        9.0
  269   5   2   2 33.296  66.592   0.356    4.6     8       12.2        0.6
  270   9   9   0 33.422  66.844   0.358    4.56    4       31.7        1.9
  271   7   9   1 33.456  66.912   0.358    4.55    8       16.5        1.0
  272  12   4   0 33.465  66.931   0.358    4.55    4       89.9       15.2
  273   8  10   0 33.577  67.154   0.359    4.52    4       60.0        6.7
  274   9   7   1 33.594  67.188   0.359    4.51    8       11.3        0.5
  275   4   4   2 33.601  67.202   0.359    4.51    8       23.7        2.1
  276  10   8   0 33.732  67.465   0.36     4.47    4       11.7        0.3
  277  11   3   1 33.766  67.533   0.361    4.46    8       16.4        1.0
  278   3   5   2 33.799  67.598   0.361    4.45    8       29.4        3.2
  279   5   3   2 33.868  67.735   0.362    4.43    8        8.7        0.3
  280   5  12   0 33.979  67.958   0.363    4.4     4       33.5        2.0
  281   0   6   2 33.988  67.975   0.363    4.4     4        8.9        0.1
  282   1  13   0 33.99   67.979   0.363    4.4     4       60.0        6.5
  283   6  10   1 34.084  68.167   0.364    4.38    8       15.6        0.9
  284   1   6   2 34.105  68.211   0.364    4.37    8       39.6        5.7
  285   4  11   1 34.111  68.223   0.364    4.37    8        9.7        0.3
  286   6   0   2 34.142  68.284   0.364    4.36    4        9.2        0.2
  287   7  11   0 34.195  68.391   0.365    4.35    4       16.7        0.5
  288   6   1   2 34.255  68.51    0.365    4.33    8       42.1        6.3
  289   2  13   0 34.342  68.685   0.366    4.31    4       29.6        1.6
  290  10   6   1 34.357  68.715   0.366    4.3     8       46.9        7.8
  291   2   6   2 34.458  68.915   0.367    4.28    8       53.9       10.3
  292  12   5   0 34.488  68.976   0.368    4.27    4       18.2        0.6
  293  11   7   0 34.503  69.005   0.368    4.27    4       59.4        6.2
  294  11   4   1 34.56   69.119   0.368    4.25    8        9.2        0.3
  295   6   2   2 34.594  69.188   0.369    4.24    8       48.4        8.2
  296   4   5   2 34.621  69.243   0.369    4.24    8       43.5        6.6
  297   5   4   2 34.66   69.319   0.369    4.23    8       28.5        2.8
  298  13   1   0 34.707  69.414   0.37     4.22    4        1.7        0.0
  299   0  12   1 34.833  69.666   0.371    4.19    4       65.8        7.5
  300   3  13   0 34.927  69.854   0.372    4.16    4       48.2        4.0
  301   1  12   1 34.949  69.899   0.372    4.16    8       33.5        3.9


  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   1   0   3.509   7.017 12.58629      546.5    100.0    100.0     5.5
    2   0   2   0   4.919   9.838  8.9835       183.3     33.5     33.5     5.6
    3   2   0   0   5.011  10.022  8.8185       111.8     20.5     20.4     5.6
    4   1   2   0   5.522  11.044  8.00491        8.6      1.6      1.6     5.6
    5   2   2   0   7.031  14.061  6.29315      145.6     26.6     26.5     5.6
    6   1   3   0   7.807  15.613  5.67096       43.9      8.0      8.0     5.6
    7   3   1   0   7.924  15.848  5.58749       13.8      2.5      2.5     5.6
    8   2   3   0   8.944  17.888  4.95444        8.1      1.5      1.5     5.6
    9   3   2   0   9.009  18.017  4.91925       27.4      5.0      5.0     5.6
   10   0   4   0   9.874  19.749  4.49175       32.2      5.9      5.8     5.6
   11   4   0   0  10.061  20.122  4.40925       23.3      4.3      4.2     5.6
   12   3   3   0  10.58   21.159  4.19543        8.5      1.5      1.5     5.6
   13   2   4   0  11.096  22.192  4.00245       21.2      3.9      3.8     5.6
   14   4   2   0  11.222  22.443  3.95819       55.6     10.2     10.1     5.6
   15   3   4   0  12.463  24.926  3.56922        9.6      1.7      1.7     5.6
   16   5   1   0  12.858  25.716  3.46132       13.5      2.5      2.4     5.6
   17   2   5   0  13.384  26.768  3.32773       22.9      4.2      4.1     5.6
   18   4   4   0  14.17   28.34   3.14657       30.7      5.6      5.5     5.6
   19   1   1   1  14.809  29.617  3.01371       25.6      4.7      4.6     5.6
   20   0   6   0  14.906  29.812  2.9945         8.1      1.5      1.5     5.6
   21   1   6   0  15.124  30.248  2.95225        5.8      1.1      1.0     5.6
   22   0   2   1  15.222  30.443  2.93381       11.4      2.1      2.1     5.6
   23   2   0   1  15.253  30.506  2.92792       12.1      2.2      2.2     5.6
   24   6   1   0  15.398  30.797  2.90093       86.2     15.8     15.5     5.6
   25   2   1   1  15.459  30.918  2.8898        16.7      3.1      3.0     5.6
   26   2   6   0  15.763  31.526  2.83548      140.4     25.7     25.3     5.6
   27   6   2   0  16.005  32.009  2.79374       66.2     12.1     11.9     5.6
   28   2   2   1  16.063  32.127  2.78379       97.9     17.9     17.6     5.6
   29   5   4   0  16.12   32.241  2.77421       16.6      3.0      3.0     5.6
   30   3   0   1  16.297  32.595  2.7449        31.1      5.7      5.6     5.6
   31   1   3   1  16.433  32.867  2.72282        6.1      1.1      1.1     5.6
   32   3   6   0  16.779  33.558  2.6683        14.2      2.6      2.5     5.7
   33   2   3   1  17.028  34.056  2.6304        45.0      8.2      8.1     5.7
   34   3   2   1  17.063  34.127  2.62509      123.9     22.7     22.2     5.7
   35   0   4   1  17.556  35.113  2.55359       63.1     11.5     11.3     5.7
   36   4   0   1  17.667  35.334  2.53815      140.5     25.7     25.2     5.7
   37   1   4   1  17.746  35.491  2.52724       75.7     13.9     13.6     5.7
   38   5   5   0  17.818  35.637  2.51726       25.3      4.6      4.5     5.7
   39   4   1   1  17.848  35.696  2.51319       74.8     13.7     13.4     5.7
   40   3   3   1  17.98   35.961  2.4953       218.3     40.0     39.1     5.7
   41   4   6   0  18.116  36.232  2.47722        7.7      1.4      1.4     5.7
   42   2   4   1  18.303  36.605  2.45283       52.3      9.6      9.4     5.7
   43   4   2   1  18.383  36.765  2.44253       10.2      1.9      1.8     5.7
   44   3   7   0  19.115  38.229  2.3523        32.8      6.0      5.9     5.7
   45   3   4   1  19.2    38.401  2.34219        8.2      1.5      1.5     5.7
   46   1   5   1  19.318  38.637  2.32842      126.3     23.1     22.6     5.7
   47   7   3   0  19.37   38.741  2.32242       23.0      4.2      4.1     5.7
   48   5   1   1  19.471  38.941  2.3109        63.7     11.7     11.4     5.7
   49   2   5   1  19.838  39.675  2.26984       34.9      6.4      6.2     5.7
   50   5   2   1  19.968  39.936  2.2556       183.3     33.5     32.7     5.7
   51   4   7   0  20.319  40.638  2.21824      135.2     24.7     24.1     5.7
   52   4   4   1  20.401  40.801  2.20976       16.2      3.0      2.9     5.7
   53   8   0   0  20.45   40.9    2.20462       28.9      5.3      5.2     5.7
   54   8   1   0  20.611  41.221  2.18821       12.2      2.2      2.2     5.7
   55   5   3   1  20.775  41.55   2.17166       22.4      4.1      4.0     5.7
   56   0   6   1  20.942  41.884  2.1551        16.2      3.0      2.9     5.7
   57   1   6   1  21.105  42.21   2.13919       36.6      6.7      6.5     5.7
   58   3   8   0  21.54   43.08   2.098         38.9      7.1      6.9     5.7
   59   6   2   1  21.774  43.548  2.07653       27.2      5.0      4.8     5.7
   60   4   5   1  21.811  43.623  2.07314        6.9      1.3      1.2     5.7
   61   3   6   1  22.376  44.752  2.02343        8.7      1.6      1.5     5.7
   62   6   3   1  22.528  45.056  2.01047        8.4      1.5      1.5     5.7
   63   4   8   0  22.638  45.276  2.00123       11.1      2.0      2.0     5.7
   64   1   7   1  23.07   46.14   1.96572       12.3      2.2      2.2     5.7
   65   2   7   1  23.521  47.043  1.93008       75.9     13.9     13.5     5.7
   66   6   4   1  23.551  47.103  1.92776       25.0      4.6      4.4     5.7
   67   9   2   0  23.723  47.445  1.91464       72.7     13.3     12.9     5.7
   68   7   2   1  23.765  47.53   1.91143       18.7      3.4      3.3     5.7
   69   3   9   0  24.047  48.094  1.89032       26.0      4.7      4.6     5.7
   70   8   5   0  24.199  48.398  1.87915        5.8      1.1      1.0     5.7
   71   5   6   1  24.762  49.524  1.83903       21.8      4.0      3.8     5.7
   72   6   5   1  24.82   49.639  1.83504       72.9     13.3     12.9     5.7
   73   0   8   1  25.045  50.091  1.81954       22.0      4.0      3.9     5.7
   74   1   8   1  25.188  50.375  1.80994       12.7      2.3      2.2     5.8
   75   4   7   1  25.265  50.53   1.80476        6.8      1.2      1.2     5.8
   76   7   7   0  25.366  50.732  1.79804       14.3      2.6      2.5     5.8
   77   7   4   1  25.435  50.869  1.79351       44.4      8.1      7.8     5.8
   78   8   1   1  25.511  51.023  1.78847       24.5      4.5      4.3     5.8
   79   6   8   0  25.571  51.141  1.78461       20.6      3.8      3.6     5.8
   80   2   8   1  25.611  51.221  1.78201       10.7      2.0      1.9     5.8
   81   8   6   0  25.713  51.427  1.77537        7.9      1.4      1.4     5.8
   82   8   2   1  25.916  51.831  1.76247       34.2      6.3      6.0     5.8
   83   2  10   0  25.946  51.892  1.76053       11.5      2.1      2.0     5.8
   84  10   1   0  26.03   52.06   1.75526        6.4      1.2      1.1     5.8
   85   3   8   1  26.305  52.61   1.7382        43.7      8.0      7.7     5.8
   86   8   3   1  26.579  53.159  1.72154       80.2     14.7     14.1     5.8
   87   7   5   1  26.636  53.273  1.71813       29.2      5.3      5.1     5.8
   88   7   8   0  27.352  54.703  1.67652       14.0      2.6      2.5     5.8
   89   1   9   1  27.441  54.882  1.67149       11.4      2.1      2.0     5.8
   90   8   4   1  27.49   54.98   1.66875       18.1      3.3      3.2     5.8
   91   2   9   1  27.84   55.68   1.64942      116.8     21.4     20.5     5.8
   92   6   7   1  27.994  55.987  1.64108       11.1      2.0      2.0     5.8
   93   9   2   1  28.209  56.418  1.62957       18.6      3.4      3.3     5.8
   94   5   8   1  28.447  56.893  1.61708       11.9      2.2      2.1     5.8
   95   3   9   1  28.496  56.993  1.61449       12.3      2.3      2.2     5.8
   96   8   5   1  28.631  57.263  1.60752       16.2      3.0      2.8     5.8
   97   9   3   1  28.837  57.673  1.59706       35.2      6.4      6.2     5.8
   98   3  11   0  29.305  58.609  1.57375       14.2      2.6      2.5     5.8
   99   9   7   0  29.639  59.278  1.55759       16.5      3.0      2.9     5.8
  100   7   7   1  29.675  59.351  1.55586       65.2     11.9     11.4     5.8
  101   0   0   2  29.756  59.513  1.552         92.4     16.9     16.1     5.8
  102   1  10   1  29.82   59.641  1.54898       58.4     10.7     10.2     5.8
  103   6   8   1  29.86   59.719  1.54713        7.1      1.3      1.2     5.8
  104   1   1   2  30.005  60.01   1.54033       45.3      8.3      7.9     5.8
  105   2  10   1  30.199  60.398  1.53136       20.2      3.7      3.5     5.8
  106   2   0   2  30.261  60.522  1.52851       49.7      9.1      8.7     5.8
  107   5   9   1  30.536  61.072  1.51606        7.1      1.3      1.2     5.8
  108  11   4   0  30.671  61.342  1.51004        9.4      1.7      1.6     5.8
  109   2   2   2  30.743  61.486  1.50685       28.2      5.2      4.9     5.8
  110   9   5   1  30.79   61.58   1.50477       27.3      5.0      4.7     5.8
  111   1  12   0  31.085  62.171  1.49188       13.0      2.4      2.3     5.8
  112  10   3   1  31.233  62.467  1.48553       24.1      4.4      4.2     5.8
  113   8   7   1  31.546  63.092  1.4723        18.1      3.3      3.1     5.9
  114   0   4   2  31.675  63.351  1.4669         8.5      1.6      1.5     5.9
  115   4   0   2  31.747  63.493  1.46396        8.0      1.5      1.4     5.9
  116   6   9   1  31.892  63.785  1.45797        8.3      1.5      1.4     5.9
  117  10   4   1  32.059  64.117  1.45121        6.8      1.2      1.2     5.9
  118   9   6   1  32.092  64.183  1.44987       89.6     16.4     15.5     5.9
  119   0  11   1  32.201  64.403  1.44545        9.8      1.8      1.7     5.9
  120   6  11   0  32.65   65.3    1.42775       30.2      5.5      5.2     5.9
  121   2  11   1  32.684  65.369  1.42642       28.3      5.2      4.9     5.9
  122   4  12   0  32.91   65.819  1.41774       18.6      3.4      3.2     5.9
  123  11   6   0  33.021  66.042  1.4135        21.7      4.0      3.7     5.9
  124  10   5   1  33.103  66.206  1.41039        9.1      1.7      1.6     5.9
  125   8   8   1  33.291  66.583  1.40332       16.4      3.0      2.8     5.9
  126  12   4   0  33.465  66.931  1.39687       16.2      3.0      2.8     5.9
  127   8  10   0  33.577  67.154  1.39276        9.3      1.7      1.6     5.9
  128   1  13   0  33.99   67.979  1.37785        8.7      1.6      1.5     5.9
  129   1   6   2  34.105  68.211  1.37374        6.0      1.1      1.0     5.9
  130   6   1   2  34.255  68.51   1.36846        6.3      1.2      1.1     5.9
  131  10   6   1  34.357  68.715  1.36489        9.4      1.7      1.6     5.9
  132   2   6   2  34.458  68.915  1.36141       10.3      1.9      1.8     5.9
  133  11   7   0  34.503  69.005  1.35985        6.2      1.1      1.1     5.9
  134   6   2   2  34.594  69.188  1.35671       14.8      2.7      2.5     5.9
  135   0  12   1  34.833  69.666  1.34856        7.5      1.4      1.3     5.9
  136   3  13   0  34.927  69.854  1.3454         7.8      1.4      1.3     5.9

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)