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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FERROTSCHERMAKITE

1, f-amphiboles, sf-Ca-amphiboles, s-hornblende, DF

Ca(2)(Mg,Fe)(3)(Al,Fe)(2)[Al(2)Si(6)]O(22)(OH,F)(2)


Monoclinic  C 2/m  Z = 2

R =0.045          NR =1207

28 .5 .1992

Ref.Str.:

         Hawthorne F.C., Grundy H.D. (1973)

         * Mineral. Mag., 39, 36-48

Reserv:

         Na(0.23)K(0.14)Ca(1.86)Mg(1.22)Fe''(2.10)Mn(0.02)Ti(0.10)

         Fe'''(0.30)Al(1.30)Al(2.00)Si(6.00)O(22)(OH)(2)

                   Initial data from BDM-file 

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

             a =   9.8179   alpha =   90.0 
             b =  18.106    beta  =  105.0 
             c =   5.331    gamma =   90.0 

    Unit cell volume (cub. angs.) =   915.36

    Molar volume ( cub.cm/mol.) =   275.68

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

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

   1 0.2799  0.0864  0.3012   0.59   Al    = 0.38, Si    = 0.62
   2 0.2926  0.1736  0.8161   0.59   Si    = 0.88, Al    = 0.12
   3 0.0     0.0902  0.5      0.65   Fe    = 0.61, Mg    = 0.39
   4 0.0     0.1782  0.0      0.55   Fe    = 0.2 , Mg    = 0.1 , Al    = 0.65
   5 0.0     0.0     0.0      0.6    Fe    = 0.78, Mg    = 0.22
   6 0.0     0.2806  0.5      0.85   Ca    = 0.93, Na    = 0.05, Mn    = 0.01
   7 0.1046  0.0936  0.2099   1.01   O     = 1.00
   8 0.1198  0.1766  0.7419   0.8    O     = 1.00
   9 0.1136  0.0     0.7126   0.99   O     = 1.00
  10 0.3713  0.2511  0.7951   0.89   O     = 1.00
  11 0.3516  0.1401  0.1093   0.99   O     = 1.00
  12 0.3418  0.1206  0.6021   1.01   O     = 1.00
  13 0.3323  0.0     0.2861   1.39   O     = 1.00
  14 0.0     0.4784  0.0      1.3    Na    = 0.06, K     = 0.01
  15 0.0272  0.5     0.0621   1.74   Na    = 0.06, K     = 0.01
  16 0.202   0.0     0.784    0.99   H     = 0.99, H     = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2799     0.0864     0.3012
     2       2     0.2926     0.1736     0.8161
     3       3     0.0        0.0902     0.5   
     4       4     0.0        0.1782     0.0   
     5       5     0.0        0.0        0.0   
     6       6     0.0        0.2806     0.5   
     7       7     0.1046     0.0936     0.2099
     8       8     0.1198     0.1766     0.7419
     9       9     0.1136     0.0        0.7126
    10      10     0.3713     0.2511     0.7951
    11      11     0.3516     0.1401     0.1093
    12      12     0.3418     0.1206     0.6021
    13      13     0.3323     0.0        0.2861
    14      14     0.0        0.4784     0.0   
    15      15     0.0272     0.5        0.0621
    16      16     0.202      0.0        0.784 
    17       1     0.7201     0.9136     0.6988
    18       2     0.7074     0.8264     0.1839
    19       3     0.0        0.9098     0.5   
    20       4     0.0        0.8218     0.0   
    21       6     0.0        0.7194     0.5   
    22       7     0.8954     0.9064     0.7901
    23       8     0.8802     0.8234     0.2581
    24       9     0.8864     0.0        0.2874
    25      10     0.6287     0.7489     0.2049
    26      11     0.6484     0.8599     0.8907
    27      12     0.6582     0.8794     0.3979
    28      13     0.6677     0.0        0.7139
    29      14     0.0        0.5216     0.0   
    30      15     0.9728     0.5        0.9379
    31      16     0.798      0.0        0.216 
    32       1     0.2799     0.9136     0.3012
    33       2     0.2926     0.8264     0.8161
    34       7     0.1046     0.9064     0.2099
    35       8     0.1198     0.8234     0.7419
    36      10     0.3713     0.7489     0.7951
    37      11     0.3516     0.8599     0.1093
    38      12     0.3418     0.8794     0.6021
    39       1     0.7201     0.0864     0.6988
    40       2     0.7074     0.1736     0.1839
    41       7     0.8954     0.0936     0.7901
    42       8     0.8802     0.1766     0.2581
    43      10     0.6287     0.2511     0.2049
    44      11     0.6484     0.1401     0.8907
    45      12     0.6582     0.1206     0.3979
    46       1     0.7799     0.4136     0.3012
    47       2     0.7926     0.3264     0.8161
    48       3     0.5        0.4098     0.5   
    49       4     0.5        0.3218     0.0   
    50       5     0.5        0.5        0.0   
    51       6     0.5        0.2194     0.5   
    52       7     0.6046     0.4064     0.2099
    53       8     0.6198     0.3234     0.7419
    54       9     0.6136     0.5        0.7126
    55      10     0.8713     0.2489     0.7951
    56      11     0.8516     0.3599     0.1093
    57      12     0.8418     0.3794     0.6021
    58      13     0.8323     0.5        0.2861
    59      14     0.5        0.0216     0.0   
    60      15     0.5272     0.0        0.0621
    61      16     0.702      0.5        0.784 
    62       1     0.2201     0.5864     0.6988
    63       2     0.2074     0.6736     0.1839
    64       3     0.5        0.5902     0.5   
    65       4     0.5        0.6782     0.0   
    66       6     0.5        0.7806     0.5   
    67       7     0.3954     0.5936     0.7901
    68       8     0.3802     0.6766     0.2581
    69       9     0.3864     0.5        0.2874
    70      10     0.1287     0.7511     0.2049
    71      11     0.1484     0.6401     0.8907
    72      12     0.1582     0.6206     0.3979
    73      13     0.1677     0.5        0.7139
    74      14     0.5        0.9784     0.0   
    75      15     0.4728     0.0        0.9379
    76      16     0.298      0.5        0.216 
    77       1     0.7799     0.5864     0.3012
    78       2     0.7926     0.6736     0.8161
    79       7     0.6046     0.5936     0.2099
    80       8     0.6198     0.6766     0.7419
    81      10     0.8713     0.7511     0.7951
    82      11     0.8516     0.6401     0.1093
    83      12     0.8418     0.6206     0.6021
    84       1     0.2201     0.4136     0.6988
    85       2     0.2074     0.3264     0.1839
    86       7     0.3954     0.4064     0.7901
    87       8     0.3802     0.3234     0.2581
    88      10     0.1287     0.2489     0.2049
    89      11     0.1484     0.3599     0.8907
    90      12     0.1582     0.3794     0.3979


X-ray density (g/cm cub.)   =      3.24

MU (1/cm) =     206.787    Mass attenuation coefficient (cm**2/g) =     63.879

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

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

    1   Al   ,Si             2.316        4
                                                 1.668        7
                                                 1.6912      11
                                                 1.6797      12
                                                 1.6552      13
    2   Si   ,Al             2.316        4
                                                 1.6402       8
                                                 1.6197      10
                                                 1.6364      11
                                                 1.6556      12
    3   Fe   ,Mg             2.592        6
                                                 2.0669       7
                                                 2.1699       8
                                                 2.131        9
                                                 2.131        9
                                                 2.0669       7
                                                 2.1699       8
    4   Fe   ,Mg   ,Al       2.592        6
                                                 2.0145       7
                                                 2.0286       8
                                                 2.0145       7
                                                 2.0286       8
                                                 1.9272      10
                                                 1.9272      10
    5   Fe   ,Mg             2.592        6
                                                 2.141        7
                                                 2.1156       9
                                                 2.141        7
                                                 2.1156       9
                                                 2.141        7
                                                 2.141        7
    6   Ca   ,Na   ,Mn       2.88         8
                                                 2.4098       8
                                                 2.4098       8
                                                 2.3302      10
                                                 2.6366      11
                                                 2.5192      12
                                                 2.3302      10
                                                 2.6366      11
                                                 2.5192      12
    7    O                   3.264       11
                                                 3.1788       8
                                                 2.9492       8
                                                 3.1526       9
                                                 3.1669       9
                                                 2.7478      11
                                                 2.7411      12
                                                 2.7504      13
                                                 2.8443       9
                                                 2.6168       7
                                                 2.7334       8
                                                 2.8225      10
    8    O                   3.264       11
                                                 2.9492       7
                                                 3.1788       7
                                                 3.2011       9
                                                 2.763       10
                                                 2.673       11
                                                 2.6786      12
                                                 2.7334       7
                                                 3.0075       8
                                                 2.8469      10
                                                 2.7752      10
                                                 3.1696      10
    9    O                   3.264       10
                                                 3.1669       7
                                                 3.1526       7
                                                 3.2011       8
                                                 3.2495      13
                                                 2.8443       7
                                                 2.738        9
                                                 3.1669       7
                                                 3.1526       7
                                                 3.2011       8
                                                 2.8443       7
   10    O                   3.264        9
                                                 2.763        8
                                                 2.6552      11
                                                 2.5634      12
                                                 2.8812      10
                                                 2.8469       8
                                                 2.8225       7
                                                 2.7752       8
                                                 3.1696       8
                                                 3.0833      11
   11    O                   3.264        8
                                                 2.7478       7
                                                 2.673        8
                                                 2.6552      10
                                                 2.677       12
                                                 2.7037      12
                                                 2.7297      13
                                                 3.0258      12
                                                 3.0833      10
   12    O                   3.264        7
                                                 2.7411       7
                                                 2.6786       8
                                                 2.5634      10
                                                 2.7037      11
                                                 2.677       11
                                                 2.7447      13
                                                 3.0258      11
   13    O                   3.264        7
                                                 2.7504       7
                                                 3.2495       9
                                                 2.7297      11
                                                 2.7447      12
                                                 2.7504       7
                                                 2.7297      11
                                                 2.7447      12
   14   Na   ,K              3.228        6
                                                 2.7396      11
                                                 2.9016      12
                                                 2.5475      13
                                                 2.5475      13
                                                 2.7396      11
                                                 2.9016      12
   15   Na   ,K              3.228        8
                                                 3.1136      11
                                                 2.5041      13
                                                 3.0411      11
                                                 2.9043      12
                                                 2.5834      13
                                                 3.1136      11
                                                 3.0411      11
                                                 2.9043      12
   16   H    ,H              1.632        1
                                                 0.8527       9

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

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

    1   0   2   0  5.67   11.34    0.055  201.9     2       48.7      114.3
    2   1   1   0  6.112  12.224   0.06   173.45    4      107.0      948.2
    3   0   0   1 10.003  20.006   0.097   63.37    2       18.4        5.1
    4   1   3   0 10.118  20.235   0.098   61.89    4       45.4       60.8
    5   1   1  -1 10.471  20.942   0.102   57.65    4       63.6      111.3
    6   2   0   0 10.873  21.747   0.105   53.3     2       33.3       14.1
    7   0   4   0 11.397  22.794   0.11    48.33    2       95.5      105.1
    8   0   2   1 11.527  23.055   0.112   47.19    4       21.3       10.3
    9   2   2   0 12.295  24.59    0.119   41.23    4       13.2        3.4
   10   2   0  -1 12.762  25.523   0.123   38.12    2       27.9        7.1
   11   1   1   1 12.92   25.839   0.125   37.15    4       28.9       14.8
   12   1   3  -1 13.253  26.505   0.128   35.2     4       72.7       88.8
   13   2   2  -1 14.004  28.008   0.135   31.32    4        0.6        0.0
   14   0   4   1 15.254  30.508   0.147   26.09    4       34.4       14.7
   15   1   3   1 15.287  30.574   0.147   25.97    4      118.3      173.4
   16   1   5   0 15.331  30.663   0.148   25.81    4       17.1        3.6
   17   2   4   0 15.854  31.708   0.153   24.01    4      110.2      139.2
   18   3   1   0 16.693  33.385   0.161   21.48    4      203.5      424.5
   19   2   0   1 16.715  33.43    0.161   21.41    2       38.3        7.5
   20   3   1  -1 17.179  34.358   0.165   20.18    4       32.3       10.1
   21   2   4  -1 17.241  34.481   0.166   20.02    4        7.8        0.6
   22   0   6   0 17.242  34.484   0.166   20.01    2       16.0        1.2
   23   1   5  -1 17.617  35.234   0.169   19.1     4        8.6        0.7
   24   2   2   1 17.704  35.409   0.17    18.89    4      143.7      186.1
   25   3   3   0 18.628  37.256   0.179   16.9     4       74.6       44.9
   26   3   3  -1 19.071  38.142   0.183   16.04    4      108.2       89.7
   27   1   5   1 19.238  38.475   0.184   15.74    4      286.3      615.9
   28   1   1  -2 19.829  39.658   0.19    14.71    4       46.9       15.5
   29   0   6   1 20.094  40.187   0.192   14.29    4      203.6      282.7
   30   0   0   2 20.329  40.658   0.194   13.92    2       53.2        9.4
   31   2   4   1 20.423  40.846   0.195   13.78    4       31.6        6.6
   32   2   0  -2 20.474  40.949   0.196   13.7     2      319.7      334.2
   33   2   6   0 20.569  41.139   0.196   13.56    4       16.8        1.8
   34   1   7   0 21.004  42.009   0.2     12.94    4        1.6        0.0
   35   0   2   2 21.173  42.346   0.202   12.71    4        3.2        0.1
   36   2   2  -2 21.314  42.628   0.203   12.52    4        9.2        0.5
   37   1   3  -2 21.522  43.045   0.205   12.25    4       30.9        5.6
   38   2   6  -1 21.695  43.39    0.207   12.03    4       13.1        1.0
   39   3   1   1 21.817  43.634   0.208   11.88    4       21.9        2.7
   40   4   0  -1 21.856  43.712   0.208   11.84    2       42.3        5.1
   41   3   5   0 22.062  44.123   0.21    11.59    4       80.3       35.7
   42   4   0   0 22.165  44.33    0.211   11.47    2       68.8       13.0
   43   3   5  -1 22.448  44.896   0.213   11.14    4      214.1      243.8
   44   4   2  -1 22.654  45.307   0.215   10.92    4      119.1       73.9
   45   1   1   2 22.705  45.411   0.216   10.86    4       58.7       17.9
   46   1   7  -1 22.8    45.601   0.217   10.76    4       73.3       27.6
   47   4   2   0 22.954  45.909   0.218   10.6     4       21.8        2.4
   48   3   1  -2 22.971  45.943   0.218   10.58    4      159.0      127.7
   49   0   8   0 23.279  46.558   0.221   10.27    2       26.3        1.7
   50   3   3   1 23.394  46.787   0.222   10.15    4       19.5        1.8
   51   0   4   2 23.558  47.116   0.223    9.99    4       21.1        2.1
   52   2   4  -2 23.687  47.375   0.225    9.87    4       80.2       30.3
   53   1   7   1 24.131  48.261   0.229    9.46    4       71.1       22.8
   54   1   3   2 24.236  48.473   0.229    9.37    4       35.1        5.5
   55   2   6   1 24.394  48.788   0.231    9.23    4      199.5      175.5
   56   3   3  -2 24.49   48.98    0.232    9.15    4       54.4       12.9
   57   1   5  -2 24.626  49.253   0.233    9.03    4       73.0       23.0
   58   4   4  -1 24.927  49.854   0.236    8.79    4       31.6        4.2
   59   4   4   0 25.207  50.414   0.238    8.57    4        9.6        0.4
   60   0   8   1 25.575  51.151   0.241    8.29    4        9.6        0.4
   61   2   0   2 25.856  51.713   0.244    8.09    2      231.0      103.0
   62   2   8   0 25.971  51.943   0.245    8.0     4       25.4        2.5
   63   4   0  -2 26.218  52.437   0.247    7.83    2      199.2       74.2
   64   3   5   1 26.327  52.655   0.248    7.76    4      178.2      117.7
   65   3   7   0 26.54   53.08    0.25     7.62    4       87.3       27.7
   66   2   2   2 26.562  53.124   0.25     7.6     4        1.8        0.0
   67   3   7  -1 26.877  53.755   0.253    7.4     4       64.5       14.7
   68   4   2  -2 26.918  53.835   0.253    7.38    4       22.2        1.7
   69   2   8  -1 26.921  53.841   0.253    7.38    4       45.1        7.2
   70   4   0   1 27.023  54.046   0.254    7.31    2       51.8        4.7
   71   1   9   0 27.033  54.066   0.254    7.31    4       29.6        3.1
   72   1   5   2 27.103  54.206   0.255    7.26    4        8.3        0.2
   73   0   6   2 27.173  54.345   0.255    7.22    4        0.6        0.0
   74   2   6  -2 27.29   54.579   0.256    7.15    4       23.9        2.0
   75   3   5  -2 27.337  54.674   0.257    7.12    4       61.2       12.7
   76   5   1  -1 27.458  54.916   0.258    7.05    4       37.5        4.7
   77   4   2   1 27.708  55.416   0.26     6.91    4       37.9        4.7
   78   5   1   0 28.306  56.611   0.265    6.58    4       64.7       13.2
   79   4   6  -1 28.415  56.831   0.266    6.52    4       84.5       22.2
   80   1   9  -1 28.54   57.08    0.267    6.46    4      130.0       52.1
   81   2   4   2 28.607  57.214   0.268    6.43    4       60.1       11.1
   82   4   6   0 28.671  57.343   0.268    6.39    4       25.1        1.9
   83   5   3  -1 28.803  57.607   0.269    6.33    4       10.6        0.3
   84   1   7  -2 28.808  57.617   0.269    6.32    4       85.0       21.8
   85   4   4  -2 28.945  57.89    0.271    6.26    4       64.2       12.3
   86   2   8   1 29.261  58.521   0.273    6.11    4        5.3        0.1
   87   0  10   0 29.605  59.209   0.276    5.95    2      150.2       32.0
   88   5   3   0 29.626  59.252   0.276    5.94    4       88.5       22.2
   89   1   9   1 29.683  59.367   0.277    5.91    4       34.4        3.3
   90   4   4   1 29.7    59.4     0.277    5.9     4       36.2        3.7
   91   3   1   2 30.269  60.539   0.282    5.66    4        9.7        0.3
   92   3   7   1 30.347  60.694   0.282    5.63    4       18.5        0.9
   93   2   0  -3 30.412  60.824   0.283    5.6     2       15.6        0.3
   94   1   1  -3 30.491  60.981   0.284    5.57    4       31.8        2.7
   95   5   1  -2 30.705  61.409   0.285    5.48    4      115.9       35.2
   96   2   2  -3 31.049  62.098   0.288    5.35    4        3.8        0.0
   97   1   7   2 31.056  62.113   0.288    5.35    4       20.4        1.1
   98   3   7  -2 31.271  62.543   0.29     5.27    4       41.6        4.3
   99   5   5  -1 31.383  62.765   0.291    5.22    4       74.8       14.0
  100   0   0   3 31.407  62.814   0.291    5.22    2       60.2        4.5
  101   3   3   2 31.539  63.077   0.292    5.17    4       47.2        5.5
  102   0  10   1 31.578  63.156   0.293    5.15    4       67.8       11.3
  103   0   8   2 31.749  63.498   0.294    5.09    4       27.2        1.8
  104   1   3  -3 31.755  63.509   0.294    5.09    4       82.1       16.4
  105   3   1  -3 31.803  63.607   0.295    5.07    4       43.0        4.5
  106   3   9   0 31.804  63.608   0.295    5.07    4       23.5        1.3
  107   2   6   2 31.824  63.648   0.295    5.07    4       11.2        0.3
  108   2   8  -2 31.855  63.71    0.295    5.06    4       92.6       20.7
  109   2  10   0 31.925  63.849   0.296    5.03    4       66.2       10.5
  110   5   3  -2 31.964  63.928   0.296    5.02    4       14.0        0.5
  111   0   2   3 32.032  64.064   0.296    5.0     4      118.7       33.6
  112   3   9  -1 32.106  64.211   0.297    4.97    4       48.6        5.6
  113   4   6  -2 32.142  64.283   0.297    4.96    4        3.8        0.0
  114   5   5   0 32.165  64.331   0.298    4.95    4       30.1        2.1
  115   2  10  -1 32.762  65.524   0.303    4.76    4       23.3        1.2
  116   4   6   1 32.853  65.706   0.303    4.73    4      243.5      133.9
  117   4   8  -1 32.884  65.767   0.303    4.72    4       28.0        1.8
  118   2   4  -3 32.917  65.833   0.304    4.71    4       37.9        3.2
  119   3   3  -3 33.039  66.079   0.305    4.67    4       21.8        1.1
  120   5   1   1 33.049  66.099   0.305    4.67    4        8.5        0.2
  121   4   8   0 33.119  66.238   0.305    4.65    4      108.2       26.0
  122   6   0  -1 33.183  66.365   0.306    4.63    2       23.1        0.6
  123   1  11   0 33.473  66.945   0.308    4.55    4      187.7       76.5
  124   1   1   3 33.73   67.46    0.31     4.47    4       24.9        1.3
  125   6   2  -1 33.79   67.581   0.311    4.46    4       23.8        1.2
  126   1   9  -2 33.852  67.704   0.311    4.44    4       19.9        0.8
  127   0   4   3 33.871  67.741   0.312    4.43    4       25.8        1.4
  128   4   0  -3 33.965  67.929   0.312    4.41    2       14.0        0.2
  129   3   5   2 33.997  67.995   0.313    4.4     4       14.8        0.5
  130   1   5  -3 34.205  68.41    0.314    4.34    4      249.5      129.1
  131   5   3   1 34.262  68.524   0.315    4.33    4        3.4        0.0
  132   5   5  -2 34.407  68.814   0.316    4.29    4       19.1        0.8
  133   6   0   0 34.466  68.931   0.316    4.28    2      163.6       27.3
  134   4   2  -3 34.566  69.131   0.317    4.25    4        7.5        0.1
  135   1  11  -1 34.811  69.621   0.319    4.19    4       17.8        0.6
  136   2  10   1 34.864  69.729   0.32     4.18    4       35.4        2.5
  137   1   3   3 34.931  69.862   0.32     4.16    4        2.5        0.0
  138   5   7  -1 35.047  70.093   0.321    4.13    4       24.9        1.2
  139   6   2   0 35.063  70.126   0.321    4.13    4       24.3        1.2
  140   4   0   2 35.115  70.23    0.322    4.12    2      200.8       39.6
  141   3   9   1 35.266  70.532   0.323    4.08    4        1.8        0.0
  142   3   5  -3 35.445  70.89    0.324    4.04    4       74.9       10.8
  143   6   4  -1 35.583  71.167   0.325    4.01    4       21.8        0.9
  144   6   0  -2 35.619  71.238   0.326    4.0     2      259.7       64.4
  145   4   2   2 35.707  71.414   0.326    3.98    4       38.1        2.8
  146   5   7   0 35.789  71.577   0.327    3.96    4       49.4        4.6
  147   1  11   1 35.841  71.681   0.327    3.95    4       14.8        0.4
  148   2   6  -3 35.917  71.834   0.328    3.94    4      256.7      123.9
  149   1   9   2 35.924  71.848   0.328    3.94    4       84.8       13.5
  150   2   8   2 36.054  72.108   0.329    3.91    4        7.1        0.1
  151   3   9  -2 36.124  72.248   0.33     3.89    4       17.5        0.6
  152   6   2  -2 36.208  72.415   0.33     3.88    4        4.5        0.0
  153   4   4  -3 36.342  72.683   0.331    3.85    4       20.9        0.8
  154   4   8  -2 36.354  72.707   0.331    3.85    4       89.2       14.6
  155   0  12   0 36.357  72.714   0.331    3.85    2      226.6       47.1
  156   5   5   1 36.63   73.261   0.334    3.79    4      138.1       34.5
  157   2   0   3 36.752  73.504   0.334    3.77    2       38.3        1.3
  158   6   4   0 36.828  73.657   0.335    3.75    4       14.1        0.4
  159   0   6   3 36.835  73.67    0.335    3.75    4       64.4        7.4
  160   4   8   1 37.026  74.053   0.337    3.71    4       27.6        1.4
  161   0  10   2 37.152  74.305   0.338    3.69    4       30.2        1.6
  162   2  10  -2 37.251  74.502   0.338    3.67    4      135.4       32.2
  163   1   5   3 37.281  74.563   0.339    3.67    4       86.0       12.9
  164   2   2   3 37.334  74.667   0.339    3.66    4       59.3        6.1
  165   5   1  -3 37.417  74.833   0.34     3.64    4       16.0        0.4
  166   4   4   2 37.46   74.921   0.34     3.64    4       82.5       11.8
  167   3   7   2 37.538  75.075   0.341    3.62    4       51.7        4.6
  168   1   7  -3 37.737  75.474   0.342    3.59    4       86.0       12.7
  169   3  11   0 37.783  75.566   0.342    3.58    4      142.1       34.5
  170   5   7  -2 37.931  75.862   0.344    3.56    4        8.6        0.1
  171   6   4  -2 37.952  75.904   0.344    3.55    4       89.3       13.5
  172   3  11  -1 38.062  76.125   0.345    3.53    4       53.0        4.7
  173   0  12   1 38.151  76.303   0.345    3.52    4       52.4        4.6
  174   4  10  -1 38.212  76.424   0.346    3.51    4       36.2        2.2
  175   4  10   0 38.433  76.866   0.347    3.47    4      104.4       18.1
  176   2  12   0 38.47   76.94    0.348    3.47    4       21.1        0.7
  177   6   6  -1 38.493  76.986   0.348    3.47    4      298.2      147.1
  178   5   3  -3 38.57   77.139   0.349    3.45    4       65.0        7.0
  179   3   7  -3 38.932  77.863   0.351    3.4     4       18.2        0.5
  180   2   4   3 39.06   78.12    0.352    3.38    4       29.5        1.4
  181   4   6  -3 39.23   78.461   0.354    3.36    4       64.0        6.6
  182   2  12  -1 39.245  78.489   0.354    3.35    4       25.8        1.1
  183   6   0   1 39.308  78.617   0.354    3.35    2       25.1        0.5
  184   5   9  -1 39.69   79.38    0.357    3.29    4       53.3        4.5
  185   1  11  -2 39.694  79.388   0.357    3.29    4       27.9        1.2
  186   6   6   0 39.705  79.411   0.357    3.29    4       44.1        3.1
  187   7   1  -1 39.766  79.532   0.358    3.28    4       12.1        0.2
  188   6   2   1 39.878  79.756   0.358    3.27    4       59.7        5.6
  189   2   8  -3 39.958  79.915   0.359    3.26    4       28.5        1.3
  190   5   7   1 40.081  80.161   0.36     3.24    4       47.5        3.5
  191   4   6   2 40.323  80.646   0.362    3.22    4       25.4        1.0
  192   5   9   0 40.401  80.802   0.362    3.21    4        3.0        0.0
  193   1  13   0 40.474  80.948   0.363    3.2     4       11.7        0.2
  194   1   7   3 40.714  81.428   0.365    3.17    4        0.2        0.0
  195   6   6  -2 40.805  81.609   0.365    3.16    4        2.3        0.0
  196   0   8   3 40.846  81.691   0.366    3.15    4       21.6        0.7
  197   5   5  -3 40.846  81.693   0.366    3.15    4      156.1       36.7
  198   7   3  -1 40.9    81.799   0.366    3.15    4       13.0        0.3
  199   5   1   2 40.996  81.992   0.367    3.14    4      200.9       60.4
  200   3   1   3 40.999  81.997   0.367    3.14    4        4.5        0.0
  201   3  11   1 41.033  82.065   0.367    3.13    4        2.6        0.0
  202   2  12   1 41.216  82.432   0.368    3.12    4       29.5        1.3
  203   2  10   2 41.222  82.443   0.368    3.11    4       75.2        8.4
  204   7   1   0 41.459  82.917   0.37     3.09    4      106.6       16.8
  205   6   0  -3 41.506  83.011   0.37     3.09    2       16.6        0.2
  206   4  10  -2 41.51   83.019   0.37     3.09    4       60.5        5.4
  207   7   1  -2 41.572  83.143   0.371    3.08    4        2.2        0.0
  208   6   4   1 41.575  83.15    0.371    3.08    4       25.8        1.0
  209   1  11   2 41.661  83.321   0.372    3.07    4      193.2       54.7
  210   1  13  -1 41.729  83.458   0.372    3.06    4       64.7        6.1
  211   3  11  -2 41.852  83.704   0.373    3.05    4      144.6       30.5
  212   2   6   3 41.893  83.786   0.373    3.05    4      159.8       37.2
  213   6   2  -3 42.068  84.137   0.375    3.03    4       43.6        2.7
  214   3   9   2 42.091  84.183   0.375    3.03    4        4.3        0.0
  215   5   3   2 42.123  84.245   0.375    3.03    4       85.9       10.7
  216   3   3   3 42.125  84.251   0.375    3.03    4       22.7        0.7
  217   4  10   1 42.158  84.316   0.375    3.02    4       39.5        2.2
  218   2   0  -4 42.159  84.319   0.375    3.02    2       11.7        0.1
  219   1   9  -3 42.285  84.57    0.376    3.01    4       65.9        6.3
  220   6   8  -1 42.461  84.921   0.377    3.0     4       56.6        4.6
  221   5   9  -2 42.474  84.947   0.377    3.0     4       49.8        3.6
  222   7   3   0 42.583  85.167   0.378    2.99    4       32.6        1.5
  223   7   3  -2 42.696  85.392   0.379    2.98    4       55.5        4.4
  224   1  13   1 42.705  85.411   0.379    2.98    4       60.6        5.2
  225   1   1  -4 42.716  85.432   0.379    2.98    4      162.2       37.4
  226   2   2  -4 42.721  85.442   0.379    2.98    4       10.9        0.2
  227   3   1  -4 42.907  85.814   0.381    2.96    4       40.9        2.4
  228   7   5  -1 43.15   86.299   0.382    2.94    4      194.4       53.1
  229   4   8  -3 43.183  86.367   0.383    2.94    4        5.2        0.0
  230   0  12   2 43.402  86.804   0.384    2.92    4       92.6       12.0
  231   3   9  -3 43.451  86.901   0.384    2.92    4       65.4        6.0
  232   2  12  -2 43.497  86.994   0.385    2.92    4      208.2       60.4
  233   6   8   0 43.65   87.3     0.386    2.91    4       43.5        2.6
  234   6   4  -3 43.751  87.502   0.387    2.9     4       17.0        0.4
  235   0  14   0 43.758  87.517   0.387    2.9     2       30.6        0.6
  236   1   3  -4 43.837  87.674   0.387    2.89    4       86.3       10.3
  237   0   0   4 44.012  88.025   0.388    2.88    2      154.8       16.5
  238   3   3  -4 44.027  88.055   0.389    2.88    4       87.2       10.5
  239   5   7  -3 44.217  88.433   0.39     2.87    4       40.2        2.2
  240   4   8   2 44.259  88.518   0.39     2.87    4       31.6        1.4
  241   5   5   2 44.365  88.729   0.391    2.86    4       53.9        4.0
  242   3   5   3 44.367  88.735   0.391    2.86    4       55.3        4.2
  243   6   6   1 44.38   88.759   0.391    2.86    4       51.5        3.6
  244   4   0  -4 44.393  88.787   0.391    2.86    2      205.1       28.7
  245   2   4  -4 44.401  88.803   0.391    2.86    4       20.7        0.6
  246   4  12  -1 44.428  88.856   0.391    2.86    4       28.7        1.1
  247   3  13   0 44.571  89.141   0.392    2.85    4       20.8        0.6
  248   0   2   4 44.572  89.144   0.392    2.85    4        0.6        0.0
  249   5   9   1 44.579  89.159   0.392    2.85    4       31.7        1.4
  250   4  12   0 44.643  89.286   0.393    2.85    4       69.2        6.5
  251   6   8  -2 44.735  89.47    0.393    2.84    4       54.3        4.0
  252   7   5   0 44.823  89.647   0.394    2.84    4        5.3        0.0
  253   3  13  -1 44.842  89.683   0.394    2.84    4        2.3        0.0
  254   7   5  -2 44.936  89.872   0.395    2.83    4       40.0        2.2
  255   4   2  -4 44.953  89.905   0.395    2.83    4        5.7        0.0


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (angs.):

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

    1   0   2   0   5.67   11.34   9.053        114.3     12.1     12.1     5.6
    2   1   1   0   6.112  12.224  8.4008       948.2    100.0    100.0     5.6
    3   1   3   0  10.118  20.235  5.09166       60.8      6.4      6.4     5.6
    4   1   1  -1  10.471  20.942  4.9217       111.3     11.7     11.7     5.6
    5   2   0   0  10.873  21.747  4.74168       14.1      1.5      1.5     5.6
    6   0   4   0  11.397  22.794  4.5265       105.1     11.1     11.0     5.6
    7   0   2   1  11.527  23.055  4.47595       10.3      1.1      1.1     5.6
    8   1   1   1  12.92   25.839  4.00054       14.8      1.6      1.5     5.6
    9   1   3  -1  13.253  26.505  3.90179       88.8      9.4      9.3     5.6
   10   0   4   1  15.254  30.508  3.39972       14.7      1.6      1.5     5.6
   11   1   3   1  15.287  30.574  3.39254      173.4     18.3     18.1     5.6
   12   2   4   0  15.854  31.708  3.27415      139.2     14.7     14.5     5.6
   13   3   1   0  16.693  33.385  3.11402      432.0     45.6     44.9     5.7
   14   3   1  -1  17.179  34.358  3.02841       10.1      1.1      1.0     5.7
   15   2   2   1  17.704  35.409  2.94128      186.1     19.6     19.3     5.7
   16   3   3   0  18.628  37.256  2.80027       44.9      4.7      4.6     5.7
   17   3   3  -1  19.071  38.142  2.73752       89.7      9.5      9.3     5.7
   18   1   5   1  19.238  38.475  2.7147       615.9     65.0     63.7     5.7
   19   1   1  -2  19.829  39.658  2.63685       15.5      1.6      1.6     5.7
   20   0   6   1  20.094  40.187  2.60354      282.7     29.8     29.2     5.7
   21   2   0  -2  20.474  40.949  2.55714      334.2     35.2     34.5     5.7
   22   3   5   0  22.062  44.123  2.38141       35.7      3.8      3.7     5.7
   23   4   0   0  22.165  44.33   2.37084       13.0      1.4      1.3     5.7
   24   3   5  -1  22.448  44.896  2.34245      243.8     25.7     25.0     5.7
   25   4   2  -1  22.654  45.307  2.3223        73.9      7.8      7.6     5.7
   26   1   1   2  22.705  45.411  2.3173        17.9      1.9      1.8     5.7
   27   1   7  -1  22.8    45.601  2.30816       27.6      2.9      2.8     5.7
   28   3   1  -2  22.971  45.943  2.29189      130.1     13.7     13.3     5.7
   29   2   4  -2  23.687  47.375  2.22643       30.3      3.2      3.1     5.7
   30   1   7   1  24.131  48.261  2.18791       22.8      2.4      2.3     5.7
   31   2   6   1  24.394  48.788  2.16572      175.5     18.5     17.9     5.7
   32   3   3  -2  24.49   48.98   2.15776       12.9      1.4      1.3     5.7
   33   1   5  -2  24.626  49.253  2.14654       23.0      2.4      2.3     5.7
   34   2   0   2  25.856  51.713  2.05096      103.0     10.9     10.5     5.8
   35   4   0  -2  26.218  52.437  2.02461       74.2      7.8      7.5     5.8
   36   3   5   1  26.327  52.655  2.01682      117.7     12.4     12.0     5.8
   37   3   7   0  26.54   53.08   2.00183       27.7      2.9      2.8     5.8
   38   3   7  -1  26.877  53.755  1.97853       14.7      1.5      1.5     5.8
   39   3   5  -2  27.337  54.674  1.94778       12.7      1.3      1.3     5.8
   40   5   1   0  28.306  56.611  1.88635       13.2      1.4      1.3     5.8
   41   4   6  -1  28.415  56.831  1.87966       22.2      2.3      2.3     5.8
   42   1   9  -1  28.54   57.08   1.87214       52.1      5.5      5.3     5.8
   43   2   4   2  28.607  57.214  1.86814       11.1      1.2      1.1     5.8
   44   1   7  -2  28.808  57.617  1.85618       21.8      2.3      2.2     5.8
   45   4   4  -2  28.945  57.89   1.84816       12.3      1.3      1.2     5.8
   46   0  10   0  29.605  59.209  1.8106        54.2      5.7      5.5     5.8
   47   5   1  -2  30.705  61.409  1.75174       35.2      3.7      3.5     5.8
   48   5   5  -1  31.383  62.765  1.71763       18.5      1.9      1.9     5.9
   49   0  10   1  31.578  63.156  1.70809       11.3      1.2      1.1     5.9
   50   1   3  -3  31.755  63.509  1.69958       18.2      1.9      1.8     5.9
   51   2   8  -2  31.855  63.71   1.69478       20.7      2.2      2.1     5.9
   52   2  10   0  31.925  63.849  1.69148       10.5      1.1      1.1     5.9
   53   0   2   3  32.032  64.064  1.68641       33.6      3.5      3.4     5.9
   54   4   6   1  32.853  65.706  1.64882      133.9     14.1     13.4     5.9
   55   4   8   0  33.119  66.238  1.63707       26.0      2.7      2.6     5.9
   56   1  11   0  33.473  66.945  1.62175       76.5      8.1      7.6     5.9
   57   1   5  -3  34.205  68.41   1.59112      129.1     13.6     12.8     5.9
   58   6   0   0  34.466  68.931  1.58056       27.3      2.9      2.7     5.9
   59   4   0   2  35.115  70.23   1.555         39.6      4.2      3.9     5.9
   60   3   5  -3  35.445  70.89   1.54239       10.8      1.1      1.1     5.9
   61   6   0  -2  35.619  71.238  1.53584       64.4      6.8      6.4     5.9
   62   2   6  -3  35.917  71.834  1.52479      137.4     14.5     13.6     5.9
   63   0  12   0  36.357  72.714  1.50883       61.7      6.5      6.1     6.0
   64   5   5   1  36.63   73.261  1.49914       34.5      3.6      3.4     6.0
   65   2  10  -2  37.251  74.502  1.47769       32.2      3.4      3.2     6.0
   66   1   5   3  37.281  74.563  1.47667       12.9      1.4      1.3     6.0
   67   4   4   2  37.46   74.921  1.47064       11.8      1.2      1.2     6.0
   68   1   7  -3  37.737  75.474  1.46144       12.7      1.3      1.2     6.0
   69   3  11   0  37.783  75.566  1.45994       34.5      3.6      3.4     6.0
   70   6   4  -2  37.952  75.904  1.4544        13.5      1.4      1.3     6.0
   71   4  10   0  38.433  76.866  1.43897       18.1      1.9      1.8     6.0
   72   6   6  -1  38.493  76.986  1.43707      147.1     15.5     14.4     6.0
   73   5   5  -3  40.846  81.693  1.36761       36.7      3.9      3.5     6.1
   74   5   1   2  40.996  81.992  1.3635        60.5      6.4      5.8     6.1
   75   2  10   2  41.222  82.443  1.35735        9.7      1.0      0.9     6.1
   76   7   1   0  41.459  82.917  1.35099       16.8      1.8      1.6     6.1
   77   1  11   2  41.661  83.321  1.34563       54.7      5.8      5.3     6.1
   78   3  11  -2  41.852  83.704  1.3406        30.5      3.2      2.9     6.1
   79   2   6   3  41.893  83.786  1.33952       37.2      3.9      3.6     6.1
   80   5   3   2  42.123  84.245  1.33358       11.4      1.2      1.1     6.1
   81   1   1  -4  42.716  85.432  1.31855       47.2      5.0      4.5     6.1
   82   7   5  -1  43.15   86.299  1.30787       53.1      5.6      5.1     6.1
   83   0  12   2  43.402  86.804  1.30177       12.0      1.3      1.1     6.1
   84   2  12  -2  43.497  86.994  1.29948       60.4      6.4      5.8     6.1
   85   1   3  -4  43.837  87.674  1.29144       10.3      1.1      1.0     6.2
   86   0   0   4  44.012  88.025  1.28734       26.9      2.8      2.6     6.2
   87   4   0  -4  44.393  88.787  1.27857       40.5      4.3      3.8     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)