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       ***
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CARMICHAELITE

1

(Ti,Cr,Fe,Mg,Al)(O,OH)(2)


Monoclinic  P 2(1)/c  Z = 22

P2(1)/c

4 .7 .1902

Ref.Str.:

         Rouse R.C., Essene E.J., Peacor D.R., Zhang Y. (2000)

         * Amer. Mineral., 85. 792-800

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   7.706    alpha =   90.0 
             b =   4.5583   beta  =   92.33
             c =  20.187    gamma =   90.0 

    Unit cell volume (cub. angs.) =   708.51

    Molar volume ( cub.cm/mol.) =    19.4 

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

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

   1 0.5     0.0     0.0      1.3    Ti    = 1.00
   2 0.0562  0.007   0.3113   0.3    Ti    = 0.94, V     = 0.06
   3 0.4128  0.992   0.3691   0.34   Ti    = 0.98, Nb    = 0.03
   4 0.1328  0.999   0.9448   0.57   Ti    = 1.00
   5 0.3271  0.0     0.7396   0.65   Cr    = 0.77, Cr    = 0.0 
   6 0.2187  0.016   0.5747   0.7    Cr    = 0.27, Fe    = 0.17, Al    = 0.18
   7 0.2799  0.04    0.2046   0.6    Mg    = 0.14, Mg    = 0.0 
   8 0.2375  0.021   0.1051   0.5    Fe    = 0.31, Mg    = 0.16
   9 0.703   0.293   0.4866   2.5    O     = 1.00
  10 0.259   0.255   0.8074   1.1    O     = 1.00
  11 0.173   0.283   0.1637   2.1    O     = 1.00
  12 0.807   0.283   0.1193   1.7    O     = 1.00
  13 0.624   0.215   0.3502   0.9    O     = 1.00
  14 0.066   0.252   0.0206   2.6    O     = 1.00
  15 0.355   0.286   0.4372   2.3    O     = 1.00
  16 0.523   0.253   0.214    2.7    O     = 1.00
  17 0.889   0.24    0.2564   0.9    O     = 1.00
  18 0.986   0.233   0.393    1.2    O     = 1.00
  19 0.436   0.283   0.0731   2.3    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.5        0.0        0.0   
     2       2     0.0562     0.007      0.3113
     3       3     0.4128     0.992      0.3691
     4       4     0.1328     0.999      0.9448
     5       5     0.3271     0.0        0.7396
     6       6     0.2187     0.016      0.5747
     7       7     0.2799     0.04       0.2046
     8       8     0.2375     0.021      0.1051
     9       9     0.703      0.293      0.4866
    10      10     0.259      0.255      0.8074
    11      11     0.173      0.283      0.1637
    12      12     0.807      0.283      0.1193
    13      13     0.624      0.215      0.3502
    14      14     0.066      0.252      0.0206
    15      15     0.355      0.286      0.4372
    16      16     0.523      0.253      0.214 
    17      17     0.889      0.24       0.2564
    18      18     0.986      0.233      0.393 
    19      19     0.436      0.283      0.0731
    20       1     0.5        0.5        0.5   
    21       2     0.9438     0.507      0.1887
    22       3     0.5872     0.492      0.1309
    23       4     0.8672     0.499      0.5552
    24       5     0.6729     0.5        0.7604
    25       6     0.7813     0.516      0.9253
    26       7     0.7201     0.54       0.2954
    27       8     0.7625     0.521      0.3949
    28       9     0.297      0.793      0.0134
    29      10     0.741      0.755      0.6926
    30      11     0.827      0.783      0.3363
    31      12     0.193      0.783      0.3807
    32      13     0.376      0.715      0.1498
    33      14     0.934      0.752      0.4794
    34      15     0.645      0.786      0.0628
    35      16     0.477      0.753      0.286 
    36      17     0.111      0.74       0.2436
    37      18     0.014      0.733      0.107 
    38      19     0.564      0.783      0.4269
    39       2     0.0562     0.493      0.8113
    40       3     0.4128     0.508      0.8691
    41       4     0.1328     0.501      0.4448
    42       5     0.3271     0.5        0.2396
    43       6     0.2187     0.484      0.0747
    44       7     0.2799     0.46       0.7046
    45       8     0.2375     0.479      0.6051
    46       9     0.703      0.207      0.9866
    47      10     0.259      0.245      0.3074
    48      11     0.173      0.217      0.6637
    49      12     0.807      0.217      0.6193
    50      13     0.624      0.285      0.8502
    51      14     0.066      0.248      0.5206
    52      15     0.355      0.214      0.9372
    53      16     0.523      0.247      0.714 
    54      17     0.889      0.26       0.7564
    55      18     0.986      0.267      0.893 
    56      19     0.436      0.217      0.5731
    57       2     0.9438     0.993      0.6887
    58       3     0.5872     0.008      0.6309
    59       4     0.8672     0.001      0.0552
    60       5     0.6729     0.0        0.2604
    61       6     0.7813     0.984      0.4253
    62       7     0.7201     0.96       0.7954
    63       8     0.7625     0.979      0.8949
    64       9     0.297      0.707      0.5134
    65      10     0.741      0.745      0.1926
    66      11     0.827      0.717      0.8363
    67      12     0.193      0.717      0.8807
    68      13     0.376      0.785      0.6498
    69      14     0.934      0.748      0.9794
    70      15     0.645      0.714      0.5628
    71      16     0.477      0.747      0.786 
    72      17     0.111      0.76       0.7436
    73      18     0.014      0.767      0.607 
    74      19     0.564      0.717      0.9269


X-ray density (g/cm cub.)   =      4.11

MU (1/cm) =     731.114    Mass attenuation coefficient (cm**2/g) =    178.013

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

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

    1    Ti                  2.568        6
                                                 2.0357      19
                                                 1.8561       9
                                                 1.9214      15
                                                 1.8561       9
                                                 1.9214      15
                                                 2.0357      19
    2   Ti   ,V              2.568        6
                                                 1.9749      17
                                                 2.0363      18
                                                 2.1188      11
                                                 1.9991      12
                                                 1.8906      17
                                                 1.9067      10
    3   Ti   ,Nb             2.568        6
                                                 1.9693      13
                                                 1.9835      15
                                                 1.9656      12
                                                 2.0769      16
                                                 1.8751      19
                                                 2.041       10
    4    Ti                  2.568        6
                                                 2.0001      14
                                                 2.0634       9
                                                 1.9843      15
                                                 1.9414      18
                                                 1.895       12
                                                 2.0569      14
    5   Cr   ,Cr             2.628        6
                                                 1.8863      10
                                                 2.142       11
                                                 1.9691      16
                                                 2.1082      13
                                                 1.8584      16
                                                 1.9968      17
    6   Cr   ,Fe   ,Al       2.628        6
                                                 2.0598      11
                                                 1.895       14
                                                 1.9102      19
                                                 1.985        9
                                                 2.1741      13
                                                 2.0701      18
    7   Mg   ,Mg             2.52         5
                                                 1.5912      11
                                                 2.1117      16
                                                 2.0084      13
                                                 2.0658      17
                                                 2.2876      10
    8   Fe   ,Mg             2.592        6
                                                 1.7665      11
                                                 2.3625      14
                                                 2.0649      19
                                                 2.1877       9
                                                 1.9546      13
                                                 2.1672      18
    9    O                   3.264       12
                                                 2.8182      13
                                                 2.823       15
                                                 2.9558      18
                                                 2.7547      14
                                                 3.0483      14
                                                 2.7356      19
                                                 2.8105      19
                                                 2.7863      12
                                                 2.8603      14
                                                 2.774       19
                                                 2.5109      15
                                                 3.0964      15
   10    O                   3.264       12
                                                 2.9543      11
                                                 2.9118      13
                                                 2.7         15
                                                 2.8297      16
                                                 2.9918      17
                                                 2.7768      18
                                                 2.6352      12
                                                 2.9195      12
                                                 2.8456      16
                                                 2.9034      16
                                                 2.8529      17
                                                 2.8162      17
   11    O                   3.264       12
                                                 2.9244      12
                                                 2.975       14
                                                 2.8462      16
                                                 2.9434      17
                                                 2.7847      19
                                                 2.5376      13
                                                 3.0439      13
                                                 2.6893      17
                                                 3.0032      17
                                                 2.6277      18
                                                 2.9971      18
                                                 2.9543      10
   12    O                   3.264       12
                                                 2.9244      11
                                                 2.8805      14
                                                 2.9671      16
                                                 2.8205      17
                                                 2.9709      19
                                                 2.8285      15
                                                 2.8064      15
                                                 2.6165      18
                                                 2.9873      18
                                                 2.7863       9
                                                 2.6352      10
                                                 2.9195      10
   13    O                   3.264       12
                                                 2.8182       9
                                                 2.7898      15
                                                 2.8321      16
                                                 2.8432      17
                                                 2.8877      18
                                                 3.0439      11
                                                 2.5376      11
                                                 2.9761      16
                                                 2.6978      16
                                                 3.0615      19
                                                 2.5587      19
                                                 2.9118      10
   14    O                   3.264       12
                                                 2.975       11
                                                 2.8805      12
                                                 3.0044      19
                                                 3.0483       9
                                                 2.7547       9
                                                 2.8402      18
                                                 2.976       18
                                                 2.8603       9
                                                 2.8512      15
                                                 2.625       18
                                                 2.6018      14
                                                 2.6335      14
   15    O                   3.264       12
                                                 2.823        9
                                                 2.7898      13
                                                 2.9552      18
                                                 2.8064      12
                                                 2.8285      12
                                                 2.7923      19
                                                 2.8145      19
                                                 2.7         10
                                                 2.8512      14
                                                 2.8063      19
                                                 2.5109       9
                                                 3.0964       9
   16    O                   3.264       12
                                                 2.8462      11
                                                 2.9671      12
                                                 2.8321      13
                                                 2.9145      17
                                                 2.8988      19
                                                 2.6978      13
                                                 2.9761      13
                                                 2.734       16
                                                 2.734       16
                                                 2.8297      10
                                                 2.8456      10
                                                 2.9034      10
   17    O                   3.264       12
                                                 2.9434      11
                                                 2.8205      12
                                                 2.8432      13
                                                 2.9145      16
                                                 2.8277      18
                                                 3.0032      11
                                                 2.6893      11
                                                 2.8677      17
                                                 2.8677      17
                                                 2.9918      10
                                                 2.8529      10
                                                 2.8162      10
   18    O                   3.264       12
                                                 2.9558       9
                                                 2.8877      13
                                                 2.9552      15
                                                 2.8277      17
                                                 2.9971      11
                                                 2.6277      11
                                                 2.9873      12
                                                 2.6165      12
                                                 2.976       14
                                                 2.8402      14
                                                 2.7768      10
                                                 2.625       14
   19    O                   3.264       12
                                                 2.7847      11
                                                 2.9709      12
                                                 3.0044      14
                                                 2.8988      16
                                                 2.8105       9
                                                 2.7356       9
                                                 2.5587      13
                                                 3.0615      13
                                                 2.8145      15
                                                 2.7923      15
                                                 2.774        9
                                                 2.8063      15

  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   0   2  5.088  10.177   0.05   251.28    2        7.5        5.7
    2   1   0   0  6.671  13.342   0.065  145.24    2        4.7        1.3
    3   1   0  -2  8.236  16.473   0.08    94.51    2       22.9       19.7
    4   1   0   2  8.569  17.138   0.083   87.15    2        8.5        2.5
    5   0   0   4 10.217  20.435   0.099   60.65    2        2.4        0.1
    6   0   1   1 11.606  23.211   0.112   46.53    4        5.1        1.0
    7   1   0  -4 12.008  24.015   0.116   43.33    2       17.2        5.1
    8   0   1   2 12.435  24.871   0.12    40.26    4        4.8        0.7
    9   1   0   4 12.472  24.944   0.121   40.01    2        9.5        1.4
   10   1   1   0 13.181  26.363   0.127   35.61    4        9.2        2.4
   11   1   1  -1 13.38   26.759   0.129   34.5     4        3.3        0.3
   12   2   0   0 13.435  26.87    0.13    34.2     2        4.5        0.3
   13   1   1   1 13.486  26.972   0.13    33.93    4       43.5       51.1
   14   0   1   3 13.714  27.428   0.133   32.74    4      208.1     1130.1
   15   1   1  -2 14.061  28.122   0.136   31.05    4        6.3        1.0
   16   2   0  -2 14.199  28.398   0.137   30.41    2        6.3        0.5
   17   1   1   2 14.264  28.527   0.138   30.12    4        3.1        0.2
   18   2   0   2 14.598  29.197   0.141   28.66    2        9.4        1.0
   19   1   1  -3 15.166  30.331   0.146   26.42    4        2.3        0.1
   20   0   1   4 15.338  30.677   0.148   25.78    4        8.5        1.5
   21   0   0   6 15.431  30.861   0.149   25.45    2       49.2       24.6
   22   1   1   3 15.449  30.898   0.149   25.39    4       12.8        3.3
   23   1   0  -6 16.616  33.232   0.16    21.69    2       18.8        3.1
   24   1   1  -4 16.618  33.235   0.16    21.69    4        8.9        1.4
   25   2   0  -4 16.649  33.298   0.16    21.6     2       14.0        1.7
   26   1   1   4 16.965  33.931   0.163   20.73    4        3.4        0.2
   27   1   0   6 17.135  34.271   0.165   20.29    2       10.8        0.9
   28   0   1   5 17.223  34.446   0.166   20.06    4        8.7        1.2
   29   2   0   4 17.337  34.675   0.167   19.78    2       18.9        2.8
   30   2   1   0 17.705  35.41    0.17    18.89    4        0.6        0.0
   31   2   1  -1 17.816  35.632   0.171   18.63    4        8.7        1.1
   32   2   1   1 17.981  35.961   0.173   18.26    4       30.2       13.3
   33   2   1  -2 18.308  36.616   0.176   17.55    4       15.4        3.3
   34   1   1  -5 18.346  36.691   0.176   17.47    4      285.8     1136.9
   35   2   1   2 18.628  37.256   0.179   16.9     4        6.4        0.6
   36   1   1   5 18.744  37.488   0.18    16.67    4       45.4       27.3
   37   2   1  -3 19.155  38.31    0.183   15.89    4       51.3       33.3
   38   0   1   6 19.306  38.611   0.185   15.61    4        3.5        0.1
   39   2   1   3 19.616  39.232   0.188   15.07    4      255.3      783.0
   40   2   0  -6 20.245  40.49    0.193   14.05    2       12.3        0.8
   41   1   1  -6 20.292  40.585   0.194   13.98    4        7.3        0.6
   42   2   1  -4 20.32   40.64    0.194   13.93    4        5.1        0.3
   43   3   0   0 20.396  40.792   0.195   13.82    2       11.5        0.7
   44   1   1   6 20.732  41.464   0.198   13.32    4        2.5        0.1
   45   0   0   8 20.779  41.558   0.198   13.26    2       15.7        1.3
   46   3   0  -2 20.861  41.722   0.199   13.14    2      231.5      280.6
   47   2   1   4 20.904  41.808   0.199   13.08    4       13.9        2.0
   48   2   0   6 21.118  42.236   0.201   12.78    2      210.1      224.9
   49   3   0   2 21.291  42.581   0.203   12.55    2       32.4        5.3
   50   0   1   7 21.545  43.091   0.205   12.22    4        6.0        0.4
   51   1   0  -8 21.64   43.28    0.206   12.1     2      185.8      166.4
   52   2   1  -5 21.762  43.523   0.207   11.95    4       15.1        2.2
   53   1   0   8 22.196  44.391   0.211   11.43    2       94.1       40.3
   54   1   1  -7 22.417  44.834   0.213   11.18    4        3.5        0.1
   55   2   1   5 22.451  44.902   0.213   11.14    4        7.5        0.5
   56   3   0  -4 22.617  45.233   0.215   10.96    2        6.3        0.2
   57   1   1   7 22.89   45.781   0.217   10.66    4       16.3        2.2
   58   0   2   0 23.107  46.214   0.219   10.44    2      131.9       72.3
   59   0   2   1 23.263  46.526   0.221   10.28    4        2.7        0.1
   60   3   0   4 23.418  46.836   0.222   10.13    2       37.5        5.7
   61   2   1  -6 23.441  46.882   0.222   10.11    4       11.4        1.0
   62   3   1   0 23.575  47.151   0.224    9.98    4       12.7        1.3
   63   3   1  -1 23.631  47.261   0.224    9.92    4        5.6        0.2
   64   0   2   2 23.725  47.45    0.225    9.83    4        3.3        0.1
   65   3   1   1 23.826  47.653   0.226    9.74    4      140.8      153.9
   66   0   1   8 23.917  47.834   0.227    9.65    4        6.9        0.4
   67   3   1  -2 23.991  47.981   0.227    9.59    4      174.4      232.3
   68   1   2   0 24.16   48.32    0.229    9.44    4        3.3        0.1
   69   2   1   6 24.221  48.443   0.229    9.38    4      175.6      230.6
   70   1   2  -1 24.278  48.557   0.23     9.33    4        8.0        0.5
   71   1   2   1 24.343  48.685   0.23     9.28    4        8.8        0.6
   72   3   1   2 24.377  48.753   0.231    9.25    4        9.9        0.7
   73   0   2   3 24.481  48.962   0.232    9.16    4       26.5        5.1
   74   2   0  -8 24.588  49.175   0.233    9.07    2       17.1        1.1
   75   3   1  -3 24.645  49.29    0.233    9.02    4       24.1        4.2
   76   1   1  -8 24.692  49.383   0.234    8.98    4      167.9      201.8
   77   1   2  -2 24.695  49.389   0.234    8.98    4       15.6        1.7
   78   1   2   2 24.821  49.642   0.235    8.87    4        2.5        0.0
   79   1   1   8 25.195  50.389   0.238    8.58    4       10.8        0.8
   80   3   1   3 25.211  50.422   0.238    8.56    4       13.9        1.3
   81   2   1  -7 25.325  50.65    0.239    8.48    4       28.0        5.3
   82   1   2  -3 25.398  50.795   0.24     8.42    4       25.6        4.4
   83   3   0  -6 25.453  50.906   0.24     8.38    2        3.8        0.0
   84   0   2   4 25.511  51.021   0.241    8.34    4        2.9        0.1
   85   3   1  -4 25.578  51.155   0.241    8.29    4       10.9        0.8
   86   1   2   3 25.583  51.167   0.241    8.28    4        6.4        0.3
   87   2   0   8 25.589  51.179   0.241    8.28    2        8.5        0.2
   88   2   1   7 26.185  52.37    0.247    7.86    4        9.8        0.6
   89   3   1   4 26.311  52.622   0.248    7.77    4       11.5        0.8
   90   0   0  10 26.325  52.649   0.248    7.76    2        9.6        0.3
   91   1   2  -4 26.371  52.743   0.248    7.73    4       16.9        1.8
   92   0   1   9 26.407  52.813   0.249    7.71    4       18.5        2.1
   93   3   0   6 26.551  53.102   0.25     7.61    2        7.2        0.2
   94   1   2   4 26.612  53.224   0.25     7.57    4        9.4        0.5
   95   3   1  -5 26.767  53.535   0.252    7.47    4      132.9      105.1
   96   0   2   5 26.792  53.585   0.252    7.46    4       14.0        1.2
   97   1   0 -10 26.989  53.978   0.254    7.33    2       33.1        3.2
   98   1   1  -9 27.099  54.199   0.255    7.27    4       19.8        2.3
   99   2   2   0 27.134  54.268   0.255    7.24    4        1.2        0.0
  100   2   2  -1 27.213  54.427   0.256    7.2     4       13.7        1.1
  101   2   2   1 27.331  54.663   0.257    7.13    4        2.9        0.0
  102   2   1  -8 27.389  54.778   0.257    7.09    4        3.5        0.1
  103   2   2  -2 27.568  55.137   0.259    6.99    4        8.6        0.4
  104   1   0  10 27.579  55.158   0.259    6.98    2       21.0        1.2
  105   1   2  -5 27.596  55.191   0.259    6.97    4       33.1        6.1
  106   1   1   9 27.629  55.259   0.259    6.95    4        3.4        0.1
  107   3   1   5 27.654  55.308   0.259    6.94    4        8.6        0.4
  108   4   0   0 27.689  55.379   0.26     6.92    2       18.5        0.9
  109   2   2   2 27.802  55.604   0.261    6.85    4       13.2        1.0
  110   1   2   5 27.887  55.775   0.261    6.81    4        6.3        0.2
  111   4   0  -2 28.002  56.004   0.262    6.74    2        7.2        0.1
  112   2   2  -3 28.192  56.383   0.264    6.64    4       13.0        0.9
  113   3   1  -6 28.193  56.386   0.264    6.64    4        3.7        0.1
  114   0   2   6 28.304  56.608   0.265    6.58    4       45.4       10.8
  115   2   1   8 28.32   56.641   0.265    6.57    4       18.2        1.7
  116   4   0   2 28.464  56.927   0.266    6.5     2       20.6        1.1
  117   2   2   3 28.537  57.073   0.267    6.46    4       22.0        2.5
  118   0   1  10 29.008  58.016   0.271    6.23    4        9.7        0.5
  119   1   2  -6 29.051  58.102   0.271    6.21    4       12.0        0.7
  120   2   2  -4 29.072  58.144   0.272    6.2     4        0.3        0.0
  121   3   0  -8 29.149  58.297   0.272    6.16    2       61.3        9.2
  122   3   1   6 29.22   58.441   0.273    6.13    4        9.1        0.4
  123   4   0  -4 29.379  58.758   0.274    6.05    2       24.2        1.4
  124   1   2   6 29.389  58.779   0.274    6.05    4        2.4        0.0
  125   2   0 -10 29.484  58.968   0.275    6.0     2       95.1       21.6
  126   2   2   4 29.523  59.046   0.275    5.98    4        4.9        0.1
  127   2   1  -9 29.616  59.232   0.276    5.94    4       33.0        5.1
  128   1   1 -10 29.632  59.264   0.276    5.94    4       10.9        0.6
  129   3   1  -7 29.835  59.67    0.278    5.85    4       23.6        2.6
  130   0   2   7 30.025  60.05    0.28     5.76    4        5.6        0.1
  131   1   1  10 30.188  60.376   0.281    5.69    4        7.0        0.2
  132   2   2  -5 30.196  60.392   0.281    5.69    4        2.8        0.0
  133   4   0   4 30.271  60.542   0.282    5.66    2       16.6        0.6
  134   4   1   0 30.292  60.585   0.282    5.65    4        2.1        0.0
  135   4   1  -1 30.311  60.622   0.282    5.64    4       18.8        1.6
  136   3   0   8 30.486  60.973   0.284    5.57    2       24.1        1.3
  137   4   1   1 30.531  61.063   0.284    5.55    4        9.0        0.4
  138   4   1  -2 30.588  61.176   0.284    5.53    4        9.3        0.4
  139   2   0  10 30.594  61.187   0.284    5.53    2        2.5        0.0
  140   2   1   9 30.613  61.227   0.285    5.52    4       42.0        7.7
  141   1   2  -7 30.718  61.437   0.286    5.48    4        6.9        0.2
  142   2   2   5 30.746  61.492   0.286    5.47    4        1.8        0.0
  143   3   1   7 30.992  61.983   0.288    5.37    4        6.2        0.2
  144   4   1   2 31.025  62.051   0.288    5.36    4        0.0        0.0
  145   1   2   7 31.1    62.201   0.289    5.33    4        0.5        0.0
  146   4   1  -3 31.119  62.237   0.289    5.32    4       24.2        2.5
  147   2   2  -6 31.549  63.097   0.292    5.16    4        0.4        0.0
  148   3   2   0 31.659  63.318   0.293    5.12    4       14.9        0.9
  149   3   1  -8 31.676  63.353   0.294    5.12    4        5.9        0.1
  150   3   2  -1 31.704  63.408   0.294    5.11    4       10.2        0.4
  151   0   1  11 31.721  63.443   0.294    5.1     4       18.3        1.4
  152   4   0  -6 31.734  63.468   0.294    5.1     2       29.0        1.7
  153   4   1   3 31.767  63.534   0.294    5.09    4       53.3       11.5
  154   3   2   1 31.865  63.731   0.295    5.05    4       19.8        1.6
  155   4   1  -4 31.896  63.792   0.295    5.04    4        4.4        0.1
  156   0   2   8 31.94   63.88    0.296    5.03    4       12.0        0.6
  157   2   1 -10 31.996  63.991   0.296    5.01    4        4.5        0.1
  158   3   2  -2 32.001  64.002   0.296    5.01    4      352.2      494.8
  159   0   0  12 32.151  64.301   0.297    4.96    2       10.5        0.2
  160   2   2   6 32.192  64.384   0.298    4.94    4      316.7      395.0
  161   1   1 -11 32.287  64.575   0.299    4.91    4       15.4        0.9
  162   3   2   2 32.321  64.642   0.299    4.9     4       13.3        0.7
  163   3   2  -3 32.545  65.09    0.301    4.83    4        1.5        0.0
  164   1   2  -8 32.584  65.167   0.301    4.81    4      321.2      395.8
  165   1   0 -12 32.686  65.372   0.302    4.78    2       13.7        0.4
  166   4   1   4 32.747  65.494   0.302    4.76    4        5.8        0.1
  167   1   1  11 32.87   65.741   0.303    4.72    4      283.2      301.8
  168   4   1  -5 32.91   65.821   0.304    4.71    4       17.4        1.1
  169   3   1   8 32.954  65.907   0.304    4.7     4        1.0        0.0
  170   1   2   8 33.006  66.012   0.305    4.68    4       96.5       34.8
  171   4   0   6 33.01   66.02    0.305    4.68    2       88.5       14.6
  172   3   2   3 33.02   66.04    0.305    4.68    4        6.8        0.2
  173   2   1  10 33.056  66.113   0.305    4.67    4        5.3        0.1
  174   2   2  -7 33.116  66.232   0.305    4.65    4        9.7        0.4
  175   1   0  12 33.318  66.635   0.307    4.59    2        0.6        0.0
  176   3   2  -4 33.33   66.66    0.307    4.59    4       18.4        1.2
  177   3   0 -10 33.555  67.111   0.309    4.52    2        8.3        0.1
  178   3   1  -9 33.704  67.409   0.31     4.48    4       19.6        1.4
  179   2   2   7 33.848  67.695   0.311    4.44    4        4.8        0.1
  180   3   2   4 33.956  67.911   0.312    4.41    4       25.3        2.3
  181   4   1   5 33.956  67.912   0.312    4.41    4        3.8        0.0
  182   0   2   9 34.038  68.076   0.313    4.39    4        3.2        0.0
  183   4   1  -6 34.152  68.304   0.314    4.36    4        1.8        0.0
  184   3   2  -5 34.348  68.697   0.315    4.31    4       19.2        1.3
  185   2   1 -11 34.524  69.048   0.317    4.26    4        5.1        0.1
  186   0   1  12 34.553  69.107   0.317    4.25    4        5.1        0.1
  187   1   2  -9 34.636  69.271   0.318    4.23    4       18.7        1.2
  188   2   0 -12 34.884  69.768   0.32     4.17    2       24.9        1.0
  189   2   2  -8 34.887  69.775   0.32     4.17    4        4.1        0.1
  190   4   0  -8 34.961  69.923   0.32     4.15    2       16.3        0.4
  191   1   1 -12 35.07   70.141   0.321    4.13    4        6.2        0.1
  192   1   2   9 35.097  70.194   0.321    4.12    4        4.4        0.1
  193   3   1   9 35.097  70.194   0.321    4.12    4        8.2        0.2
  194   3   0  10 35.104  70.208   0.321    4.12    2        1.5        0.0
  195   3   2   5 35.119  70.237   0.322    4.12    4       13.0        0.6
  196   4   1   6 35.384  70.767   0.324    4.06    4       11.3        0.4
  197   5   0   0 35.51   71.02    0.325    4.03    2        0.4        0.0
  198   3   2  -6 35.591  71.182   0.325    4.01    4       16.9        0.9
  199   4   1  -7 35.611  71.221   0.325    4.0     4      216.2      149.1
  200   2   1  11 35.648  71.297   0.326    4.0     4       14.5        0.7
  201   1   1  12 35.682  71.363   0.326    3.99    4        8.1        0.2
  202   2   2   8 35.703  71.406   0.326    3.98    4       15.0        0.7
  203   5   0  -2 35.732  71.465   0.326    3.98    2       19.4        0.6
  204   3   1 -10 35.912  71.824   0.328    3.94    4        7.4        0.2
  205   2   0  12 36.105  72.209   0.329    3.9     2       45.8        3.3
  206   0   3   1 36.182  72.363   0.33     3.88    4       13.6        0.6
  207   5   0   2 36.238  72.476   0.33     3.87    2       13.7        0.3
  208   0   2  10 36.312  72.623   0.331    3.85    4       16.5        0.8
  209   3   2   6 36.501  73.001   0.333    3.82    4        5.9        0.1
  210   0   3   2 36.536  73.071   0.333    3.81    4       26.2        2.1
  211   4   0   8 36.584  73.167   0.333    3.8     2        9.6        0.1
  212   2   2  -9 36.854  73.708   0.335    3.75    4       15.1        0.7
  213   1   2 -10 36.868  73.736   0.335    3.74    4        1.9        0.0
  214   1   3   0 36.872  73.745   0.335    3.74    4       15.9        0.8
  215   5   0  -4 36.897  73.794   0.336    3.74    2        0.5        0.0
  216   1   3  -1 36.965  73.929   0.336    3.73    4       19.2        1.1
  217   1   3   1 37.015  74.029   0.337    3.72    4       23.0        1.6
  218   4   1   7 37.021  74.043   0.337    3.72    4       13.6        0.5
  219   3   2  -7 37.05   74.101   0.337    3.71    4       12.2        0.4
  220   0   3   3 37.123  74.246   0.337    3.7     4       87.2       22.4
  221   2   1 -12 37.203  74.407   0.338    3.68    4        5.7        0.1
  222   4   1  -8 37.279  74.557   0.339    3.67    4        6.4        0.1
  223   1   3  -2 37.291  74.582   0.339    3.67    4        7.4        0.2
  224   1   2  10 37.368  74.736   0.339    3.65    4       10.9        0.3
  225   1   3   2 37.39   74.781   0.339    3.65    4        4.3        0.1
  226   3   1  10 37.418  74.835   0.34     3.64    4        7.6        0.2
  227   4   2   0 37.462  74.923   0.34     3.64    4       16.1        0.8
  228   4   2  -1 37.479  74.958   0.34     3.63    4        5.3        0.1
  229   0   1  13 37.515  75.03    0.34     3.63    4        3.8        0.0
  230   4   2   1 37.678  75.356   0.342    3.6     4        2.1        0.0
  231   4   2  -2 37.729  75.458   0.342    3.59    4        9.1        0.2
  232   2   2   9 37.752  75.504   0.342    3.59    4       17.7        0.9
  233   5   1  -1 37.806  75.612   0.343    3.58    4       19.3        1.1
  234   5   1   0 37.814  75.628   0.343    3.58    4       20.7        1.2
  235   1   3  -3 37.849  75.698   0.343    3.57    4        7.8        0.2
  236   5   0   4 37.894  75.787   0.343    3.56    2      350.6      174.4
  237   0   3   4 37.939  75.878   0.344    3.55    4       12.0        0.4
  238   1   1 -13 37.991  75.982   0.344    3.55    4       25.6        1.9
  239   1   3   3 37.998  75.995   0.344    3.54    4        6.6        0.1
  240   5   1  -2 38.031  76.061   0.344    3.54    4        6.3        0.1
  241   5   1   1 38.054  76.108   0.345    3.54    4      199.2      111.8
  242   3   2   7 38.095  76.19    0.345    3.53    4        8.4        0.2
  243   4   2   2 38.126  76.251   0.345    3.52    4       16.6        0.8
  244   4   2  -3 38.211  76.421   0.346    3.51    4        3.7        0.0
  245   3   1 -11 38.296  76.593   0.346    3.5     4       30.6        2.6
  246   0   0  14 38.377  76.755   0.347    3.48    2       10.0        0.1
  247   2   1  12 38.395  76.79    0.347    3.48    4        0.5        0.0
  248   5   1  -3 38.486  76.973   0.348    3.47    4       14.8        0.6
  249   5   1   2 38.525  77.05    0.348    3.46    4        4.8        0.1
  250   3   0 -12 38.618  77.236   0.349    3.45    2       13.4        0.2
  251   1   1  13 38.634  77.267   0.349    3.44    4        2.7        0.0
  252   1   3  -4 38.635  77.27    0.349    3.44    4       15.1        0.6
  253   3   2  -8 38.72   77.44    0.35     3.43    4       48.8        6.5
  254   0   2  11 38.761  77.522   0.35     3.42    4       11.7        0.4
  255   4   2   3 38.803  77.606   0.35     3.42    4        8.7        0.2
  256   1   0 -14 38.825  77.65    0.35     3.42    2       54.1        4.0
  257   1   3   4 38.832  77.665   0.351    3.41    4        5.1        0.1
  258   4   1   8 38.864  77.727   0.351    3.41    4        6.3        0.1
  259   4   2  -4 38.921  77.842   0.351    3.4     4       19.2        1.0
  260   5   0  -6 38.973  77.947   0.352    3.39    2       12.5        0.2
  261   0   3   5 38.98   77.961   0.352    3.39    4       27.0        2.0
  262   4   0 -10 38.985  77.971   0.352    3.39    2      330.6      147.7
  263   2   2 -10 39.013  78.025   0.352    3.39    4       81.0       17.7
  264   4   1  -9 39.15   78.301   0.353    3.37    4       10.1        0.3
  265   5   1  -4 39.171  78.342   0.353    3.37    4        1.4        0.0
  266   5   1   3 39.225  78.449   0.353    3.36    4       12.8        0.4
  267   2   3   0 39.262  78.525   0.354    3.35    4       17.1        0.8
  268   1   2 -11 39.281  78.562   0.354    3.35    4       16.8        0.8
  269   2   3  -1 39.328  78.656   0.354    3.34    4        8.8        0.2
  270   2   3   1 39.426  78.852   0.355    3.33    4        0.3        0.0
  271   1   0  14 39.512  79.025   0.356    3.32    2      263.8       92.0
  272   2   3  -2 39.624  79.247   0.356    3.3     4        7.8        0.2
  273   1   3  -5 39.646  79.293   0.357    3.3     4      191.2       96.2
  274   4   2   4 39.706  79.412   0.357    3.29    4        6.8        0.1
  275   2   3   2 39.819  79.638   0.358    3.28    4       19.5        1.0
  276   1   2  11 39.82   79.64    0.358    3.28    4        9.3        0.2
  277   4   2  -5 39.857  79.714   0.358    3.27    4        3.8        0.0
  278   1   3   5 39.891  79.782   0.358    3.27    4       31.9        2.7
  279   3   2   8 39.897  79.794   0.359    3.27    4       22.3        1.3
  280   3   1  11 39.918  79.835   0.359    3.27    4       10.9        0.3
  281   2   2  10 39.992  79.985   0.359    3.26    4        8.9        0.2
  282   2   1 -13 40.043  80.087   0.36     3.25    4      222.1      127.8
  283   5   1  -5 40.081  80.161   0.36     3.24    4       47.8        5.9
  284   2   3  -3 40.147  80.294   0.36     3.24    4       39.9        4.1
  285   5   1   4 40.149  80.299   0.36     3.24    4        6.9        0.1
  286   0   3   6 40.242  80.484   0.361    3.22    4       14.1        0.5
  287   3   0  12 40.382  80.763   0.362    3.21    2        5.1        0.0
  288   2   3   3 40.44   80.879   0.363    3.2     4      212.7      115.4
  289   5   0   6 40.441  80.882   0.363    3.2     2        9.7        0.1
  290   3   2  -9 40.596  81.192   0.364    3.18    4        1.5        0.0
  291   0   1  14 40.625  81.251   0.364    3.18    4        6.5        0.1
  292   4   2   5 40.831  81.663   0.365    3.16    4        6.7        0.1
  293   2   0 -14 40.841  81.683   0.366    3.16    2       37.4        1.8
  294   3   1 -12 40.862  81.725   0.366    3.15    4        0.1        0.0
  295   1   3  -6 40.879  81.757   0.366    3.15    4       23.6        1.4
  296   2   3  -4 40.897  81.794   0.366    3.15    4        8.1        0.2
  297   4   1   9 40.908  81.816   0.366    3.15    4      231.2      134.1
  298   4   0  10 40.939  81.878   0.366    3.14    2       10.4        0.1
  299   4   2  -6 41.015  82.03    0.367    3.14    4       27.2        1.9
  300   1   1 -14 41.067  82.133   0.367    3.13    4        7.1        0.1
  301   1   3   6 41.17   82.34    0.368    3.12    4       16.0        0.6
  302   5   1  -6 41.213  82.426   0.368    3.12    4        6.8        0.1
  303   4   1 -10 41.225  82.449   0.368    3.11    4        6.3        0.1
  304   2   3   4 41.285  82.57    0.369    3.11    4        3.1        0.0
  305   5   1   5 41.297  82.593   0.369    3.11    4       11.8        0.3
  306   2   1  13 41.308  82.616   0.369    3.11    4        4.0        0.0
  307   2   2 -11 41.365  82.729   0.369    3.1     4        9.4        0.2
  308   0   2  12 41.392  82.784   0.37     3.1     4       14.7        0.5
  309   0   3   7 41.721  83.443   0.372    3.06    4       10.7        0.3
  310   1   1  14 41.745  83.49    0.372    3.06    4       11.3        0.3
  311   2   3  -5 41.871  83.741   0.373    3.05    4       10.4        0.3
  312   1   2 -12 41.88   83.761   0.373    3.05    4        2.1        0.0
  313   3   2   9 41.905  83.811   0.373    3.05    4        8.6        0.2
  314   5   0  -8 41.926  83.853   0.374    3.05    2        4.9        0.0
  315   4   2   6 42.177  84.354   0.375    3.02    4       58.7        8.3
  316   2   0  14 42.198  84.395   0.375    3.02    2        4.4        0.0
  317   1   3  -7 42.33   84.659   0.376    3.01    4       10.8        0.3
  318   2   3   5 42.354  84.708   0.377    3.01    4        4.7        0.1
  319   4   2  -7 42.393  84.785   0.377    3.0     4       10.1        0.2
  320   2   2  11 42.429  84.857   0.377    3.0     4        2.6        0.0
  321   1   2  12 42.46   84.92    0.377    3.0     4       30.6        2.2
  322   5   1  -7 42.566  85.131   0.378    2.99    4       17.9        0.8
  323   3   1  12 42.605  85.21    0.378    2.99    4        3.7        0.0
  324   5   1   6 42.664  85.328   0.379    2.98    4        6.5        0.1
  325   1   3   7 42.668  85.335   0.379    2.98    4        7.0        0.1
  326   3   2 -10 42.679  85.359   0.379    2.98    4        7.6        0.1
  327   2   1 -14 43.061  86.121   0.382    2.95    4       11.1        0.3
  328   2   3  -6 43.067  86.134   0.382    2.95    4        3.5        0.0
  329   4   1  10 43.158  86.315   0.382    2.94    4       13.5        0.4
  330   3   3   0 43.165  86.331   0.382    2.94    4       10.0        0.2
  331   3   3  -1 43.206  86.412   0.383    2.94    4        4.4        0.0
  332   3   3   1 43.351  86.701   0.384    2.93    4      135.1       42.6
  333   0   3   8 43.418  86.836   0.384    2.92    4       12.4        0.4
  334   3   3  -2 43.472  86.945   0.385    2.92    4       80.6       15.1
  335   4   1 -11 43.505  87.01    0.385    2.92    4       17.9        0.7
  336   3   1 -13 43.621  87.242   0.386    2.91    4       19.7        0.9
  337   2   3   6 43.645  87.29    0.386    2.91    4       85.4       16.9
  338   4   2   7 43.742  87.484   0.386    2.9     4       19.6        0.9
  339   3   3   2 43.761  87.522   0.387    2.9     4       14.3        0.5
  340   4   0 -12 43.794  87.589   0.387    2.9     2       17.0        0.3
  341   5   0   8 43.855  87.71    0.387    2.89    2       20.3        0.5
  342   0   1  15 43.91   87.819   0.388    2.89    4       26.0        1.6
  343   2   2 -12 43.917  87.835   0.388    2.89    4       20.9        1.0
  344   3   3  -3 43.964  87.928   0.388    2.89    4        6.1        0.1
  345   4   2  -8 43.99   87.98    0.388    2.89    4       30.3        2.1
  346   1   3  -8 43.999  87.999   0.388    2.88    4       70.2       11.3
  347   3   2  10 44.124  88.249   0.389    2.88    4       11.1        0.3
  348   5   1  -8 44.138  88.277   0.389    2.88    4        2.8        0.0
  349   6   0   0 44.188  88.376   0.39     2.87    2       22.7        0.6
  350   0   2  13 44.219  88.437   0.39     2.87    4        8.6        0.2
  351   5   1   7 44.251  88.503   0.39     2.87    4       49.4        5.6
  352   1   1 -15 44.322  88.645   0.391    2.86    4        6.0        0.1
  353   6   0  -2 44.35   88.701   0.391    2.86    2       28.1        0.9
  354   1   3   8 44.384  88.768   0.391    2.86    4        8.6        0.2
  355   3   0 -14 44.385  88.771   0.391    2.86    2       21.1        0.5
  356   3   3   3 44.397  88.794   0.391    2.86    4        9.1        0.2
  357   2   1  14 44.408  88.817   0.391    2.86    4       12.8        0.4
  358   2   3  -7 44.485  88.97    0.392    2.86    4       21.2        1.0
  359   5   2  -1 44.5    89.0     0.392    2.85    4        2.3        0.0
  360   5   2   0 44.507  89.015   0.392    2.85    4        9.4        0.2
  361   1   2 -13 44.679  89.359   0.393    2.84    4       10.0        0.2
  362   3   3  -4 44.681  89.362   0.393    2.84    4       19.9        0.9
  363   5   2  -2 44.718  89.436   0.393    2.84    4        4.0        0.0
  364   5   2   1 44.74   89.481   0.393    2.84    4       13.5        0.4
  365   6   0   2 44.927  89.855   0.395    2.83    2       16.7        0.3
  366   3   2 -11 44.976  89.952   0.395    2.83    4        6.2        0.1


  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   1   0  -2   8.236  16.473  6.24379       19.7      1.7      1.8     5.6
    2   1   1   1  13.486  26.972  3.83545       51.1      4.5      4.5     5.6
    3   0   1   3  13.714  27.428  3.77293     1130.1     99.4    100.2     5.6
    4   0   0   6  15.431  30.861  3.36171       27.9      2.5      2.5     5.6
    5   2   1   1  17.981  35.961  2.89756       13.3      1.2      1.2     5.7
    6   1   1  -5  18.346  36.691  2.84184     1136.9    100.0    100.0     5.7
    7   1   1   5  18.744  37.488  2.78351       27.3      2.4      2.4     5.7
    8   2   1  -3  19.155  38.31   2.72595       33.3      2.9      2.9     5.7
    9   2   1   3  19.616  39.232  2.66437      783.0     68.9     68.7     5.7
   10   3   0  -2  20.861  41.722  2.51183      280.6     24.7     24.6     5.7
   11   2   0   6  21.118  42.236  2.48259      224.9     19.8     19.7     5.7
   12   1   0  -8  21.64   43.28   2.42548      166.4     14.6     14.5     5.7
   13   1   0   8  22.196  44.391  2.36774       40.3      3.5      3.5     5.7
   14   0   2   0  23.107  46.214  2.27915       72.3      6.4      6.3     5.7
   15   3   1   1  23.826  47.653  2.2142       153.9     13.5     13.4     5.7
   16   3   1  -2  23.991  47.981  2.19993      232.3     20.4     20.2     5.7
   17   2   1   6  24.221  48.443  2.18021      230.6     20.3     20.0     5.7
   18   1   1  -8  24.692  49.383  2.14122      203.5     17.9     17.7     5.7
   19   3   1  -5  26.767  53.535  1.98606      106.3      9.3      9.2     5.8
   20   0   2   6  28.304  56.608  1.88647       12.5      1.1      1.1     5.8
   21   2   0 -10  29.484  58.968  1.81734       21.6      1.9      1.9     5.8
   22   4   1   3  31.767  63.534  1.69899       11.5      1.0      1.0     5.9
   23   3   2  -2  32.001  64.002  1.68788      494.8     43.5     42.1     5.9
   24   2   2   6  32.192  64.384  1.67892      395.0     34.7     33.6     5.9
   25   1   2  -8  32.584  65.167  1.66093      395.8     34.8     33.6     5.9
   26   1   1  11  32.87   65.741  1.64805      301.8     26.5     25.6     5.9
   27   1   2   8  33.006  66.012  1.64203       49.6      4.4      4.2     5.9
   28   4   1  -7  35.611  71.221  1.53615      149.1     13.1     12.5     5.9
   29   0   3   3  37.123  74.246  1.48206       22.4      2.0      1.9     6.0
   30   5   0   4  37.894  75.787  1.4563       174.4     15.3     14.5     6.0
   31   5   1   1  38.054  76.108  1.45109      111.8      9.8      9.3     6.0
   32   4   0 -10  38.985  77.971  1.42176      167.4     14.7     13.9     6.0
   33   1   0  14  39.512  79.025  1.40584       92.0      8.1      7.6     6.0
   34   1   3  -5  39.646  79.293  1.40187       96.2      8.5      7.9     6.0
   35   2   1 -13  40.043  80.087  1.39028      127.8     11.2     10.5     6.0
   36   2   3   3  40.44   80.879  1.37896      115.5     10.2      9.5     6.1
   37   4   1   9  40.908  81.816  1.36591      135.6     11.9     11.1     6.1
   38   3   3   1  43.351  86.701  1.303         42.6      3.7      3.5     6.1
   39   3   3  -2  43.472  86.945  1.30008       15.1      1.3      1.2     6.1
   40   2   3   6  43.645  87.29   1.29597       16.9      1.5      1.4     6.2
   41   1   3  -8  43.999  87.999  1.28764       13.4      1.2      1.1     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)