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       ***
                  ***********************
CARMINITE

2, f-arsendescloizite

PbFe(2)[AsO(4)](2)(OH)(2)


Orthorhombic  C ccm  Z = 8

R =0.033          NR =913

29 .6 .1999

Ref.Str.:

         Kharisun, Taylor M.R., Bevan D.J.M., Pring (1996)

         * Mineral. Mag., 60, 805-811

Reserv:

         See U(ij) in the original.   N.A.D.

                   Initial data from BDM-file 

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

             a =  16.591    alpha =   90.0 
             b =   7.58     beta  =   90.0 
             c =  12.285    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1544.96

    Molar volume ( cub.cm/mol.) =   116.32

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

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

   1 0.0     0.0     0.25     0.0    Pb    = 1.00
   2 0.25    0.75    0.0      0.0    Pb    = 1.00
   3 0.0429  0.7384  0.0      0.0    As    = 1.00
   4 0.2119  0.0     0.25     0.0    As    = 1.00
   5 0.3775  0.13    0.1352   0.0    Fe    = 1.00
   6 0.0172  0.2469  0.1114   0.0    O     = 1.00
   7 0.0923  0.5401  0.0      0.0    O     = 1.00
   8 0.1121  0.8959  0.0      0.0    O     = 1.00
   9 0.1512  0.1758  0.2415   0.0    O     = 1.00
  10 0.2723  0.9966  0.139    0.0    O     = 1.00
  11 0.169   0.2387  0.0      0.0    O     = 1.00
  12 0.4222  0.0     0.25     0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.25  
     2       2     0.25       0.75       0.0   
     3       3     0.0429     0.7384     0.0   
     4       4     0.2119     0.0        0.25  
     5       5     0.3775     0.13       0.1352
     6       6     0.0172     0.2469     0.1114
     7       7     0.0923     0.5401     0.0   
     8       8     0.1121     0.8959     0.0   
     9       9     0.1512     0.1758     0.2415
    10      10     0.2723     0.9966     0.139 
    11      11     0.169      0.2387     0.0   
    12      12     0.4222     0.0        0.25  
    13       2     0.75       0.25       0.0   
    14       3     0.9571     0.2616     0.0   
    15       4     0.7881     0.0        0.25  
    16       5     0.6225     0.87       0.1352
    17       6     0.9828     0.7531     0.1114
    18       7     0.9077     0.4599     0.0   
    19       8     0.8879     0.1041     0.0   
    20       9     0.8488     0.8242     0.2415
    21      10     0.7277     0.0034     0.139 
    22      11     0.831      0.7613     0.0   
    23      12     0.5778     0.0        0.25  
    24       1     0.0        0.0        0.75  
    25       2     0.75       0.75       0.5   
    26       3     0.9571     0.7384     0.5   
    27       4     0.7881     0.0        0.75  
    28       5     0.6225     0.13       0.6352
    29       6     0.9828     0.2469     0.6114
    30       7     0.9077     0.5401     0.5   
    31       8     0.8879     0.8959     0.5   
    32       9     0.8488     0.1758     0.7415
    33      10     0.7277     0.9966     0.639 
    34      11     0.831      0.2387     0.5   
    35      12     0.5778     0.0        0.75  
    36       2     0.25       0.25       0.5   
    37       3     0.0429     0.2616     0.5   
    38       4     0.2119     0.0        0.75  
    39       5     0.3775     0.87       0.6352
    40       6     0.0172     0.7531     0.6114
    41       7     0.0923     0.4599     0.5   
    42       8     0.1121     0.1041     0.5   
    43       9     0.1512     0.8242     0.7415
    44      10     0.2723     0.0034     0.639 
    45      11     0.169      0.7613     0.5   
    46      12     0.4222     0.0        0.75  
    47       5     0.3775     0.13       0.8648
    48       6     0.0172     0.2469     0.8886
    49       9     0.1512     0.1758     0.7585
    50      10     0.2723     0.9966     0.861 
    51       5     0.6225     0.87       0.8648
    52       6     0.9828     0.7531     0.8886
    53       9     0.8488     0.8242     0.7585
    54      10     0.7277     0.0034     0.861 
    55       5     0.6225     0.13       0.3648
    56       6     0.9828     0.2469     0.3886
    57       9     0.8488     0.1758     0.2585
    58      10     0.7277     0.9966     0.361 
    59       5     0.3775     0.87       0.3648
    60       6     0.0172     0.7531     0.3886
    61       9     0.1512     0.8242     0.2585
    62      10     0.2723     0.0034     0.361 
    63       1     0.5        0.5        0.25  
    64       3     0.4571     0.7616     0.0   
    65       4     0.2881     0.5        0.25  
    66       5     0.1225     0.37       0.1352
    67       6     0.4828     0.2531     0.1114
    68       7     0.4077     0.9599     0.0   
    69       8     0.3879     0.6041     0.0   
    70       9     0.3488     0.3242     0.2415
    71      10     0.2277     0.5034     0.139 
    72      11     0.331      0.2613     0.0   
    73      12     0.0778     0.5        0.25  
    74       3     0.5429     0.2384     0.0   
    75       4     0.7119     0.5        0.25  
    76       5     0.8775     0.63       0.1352
    77       6     0.5172     0.7469     0.1114
    78       7     0.5923     0.0401     0.0   
    79       8     0.6121     0.3959     0.0   
    80       9     0.6512     0.6758     0.2415
    81      10     0.7723     0.4966     0.139 
    82      11     0.669      0.7387     0.0   
    83      12     0.9222     0.5        0.25  
    84       1     0.5        0.5        0.75  
    85       3     0.5429     0.7616     0.5   
    86       4     0.7119     0.5        0.75  
    87       5     0.8775     0.37       0.6352
    88       6     0.5172     0.2531     0.6114
    89       7     0.5923     0.9599     0.5   
    90       8     0.6121     0.6041     0.5   
    91       9     0.6512     0.3242     0.7415
    92      10     0.7723     0.5034     0.639 
    93      11     0.669      0.2613     0.5   
    94      12     0.9222     0.5        0.75  
    95       3     0.4571     0.2384     0.5   
    96       4     0.2881     0.5        0.75  
    97       5     0.1225     0.63       0.6352
    98       6     0.4828     0.7469     0.6114
    99       7     0.4077     0.0401     0.5   
   100       8     0.3879     0.3959     0.5   
   101       9     0.3488     0.6758     0.7415
   102      10     0.2277     0.4966     0.639 
   103      11     0.331      0.7387     0.5   
   104      12     0.0778     0.5        0.75  
   105       5     0.1225     0.37       0.8648
   106       6     0.4828     0.2531     0.8886
   107       9     0.3488     0.3242     0.7585
   108      10     0.2277     0.5034     0.861 
   109       5     0.8775     0.63       0.8648
   110       6     0.5172     0.7469     0.8886
   111       9     0.6512     0.6758     0.7585
   112      10     0.7723     0.4966     0.861 
   113       5     0.8775     0.37       0.3648
   114       6     0.5172     0.2531     0.3886
   115       9     0.6512     0.3242     0.2585
   116      10     0.7723     0.5034     0.361 
   117       5     0.1225     0.63       0.3648
   118       6     0.4828     0.7469     0.3886
   119       9     0.3488     0.6758     0.2585
   120      10     0.2277     0.4966     0.361 


X-ray density (g/cm cub.)   =      5.4 

MU (1/cm) =     834.901    Mass attenuation coefficient (cm**2/g) =    154.487

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

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

    1    Pb                  3.144        8
                                                 2.5462       6
                                                 2.8424       9
                                                 2.5462       6
                                                 2.8424       9
                                                 2.5462       6
                                                 2.8424       9
                                                 2.5462       6
                                                 2.8424       9
    2    Pb                  3.144        8
                                                 3.0622       7
                                                 2.5412       8
                                                 2.5587      10
                                                 2.5587      10
                                                 3.0622       7
                                                 2.5412       8
                                                 2.5587      10
                                                 2.5587      10
    3    As                  2.46         4
                                                 1.7124       7
                                                 1.6568       8
                                                 1.6965       6
                                                 1.6965       6
    4    As                  2.46         4
                                                 1.6736       9
                                                 1.6924      10
                                                 1.6736       9
                                                 1.6924      10
    5    Fe                  2.592        6
                                                 2.0177      10
                                                 1.8735      12
                                                 2.0021       6
                                                 2.1615       7
                                                 2.0246       9
                                                 2.0843      11
    6    O                   3.264        8
                                                 2.8922       7
                                                 2.7906       9
                                                 2.867       11
                                                 2.7893       7
                                                 2.7652       8
                                                 2.7371       6
                                                 2.7551      12
                                                 3.0107      12
    7    O                   3.264       11
                                                 2.8922       6
                                                 2.7169       8
                                                 2.6151      11
                                                 2.7893       6
                                                 3.1224       7
                                                 2.8922       6
                                                 2.7893       6
                                                 2.8354      10
                                                 3.0956      12
                                                 3.0956      12
                                                 2.8354      10
    8    O                   3.264        6
                                                 2.7169       7
                                                 3.2501      10
                                                 2.7646      11
                                                 2.7652       6
                                                 3.2501      10
                                                 2.7652       6
    9    O                   3.264        8
                                                 2.7906       6
                                                 2.7327      10
                                                 3.0194      11
                                                 2.6733       9
                                                 2.8106      10
                                                 3.0599      10
                                                 2.7446      12
                                                 3.1111      10
   10    O                   3.264       10
                                                 3.2501       8
                                                 2.7327       9
                                                 3.0366      11
                                                 2.8364      12
                                                 2.8106       9
                                                 2.7278      10
                                                 2.8354       7
                                                 3.0599       9
                                                 2.8089      11
                                                 3.1111       9
   11    O                   3.264       11
                                                 2.867        6
                                                 2.6151       7
                                                 2.7646       8
                                                 3.0194       9
                                                 3.0366      10
                                                 2.867        6
                                                 3.0194       9
                                                 3.0366      10
                                                 2.8089      10
                                                 2.6932      11
                                                 2.8089      10
   12    O                   3.264       11
                                                 2.8364      10
                                                 2.5816      12
                                                 2.8364      10
                                                 2.7551       6
                                                 3.0956       7
                                                 2.7446       9
                                                 3.0107       6
                                                 3.0956       7
                                                 3.0107       6
                                                 2.7551       6
                                                 2.7446       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   2   0   0  6.19   12.38    0.06   169.06    2        3.9        0.2
    2   1   1   0  7.454  14.909   0.073  115.87    4      119.7      278.0
    3   0   0   2  8.373  16.746   0.081   91.38    2       49.7       18.9
    4   1   1   1  8.556  17.111   0.083   87.43    8      218.2     1395.5
    5   2   0   2 10.439  20.878   0.101   58.01    4      151.3      222.6
    6   1   1   2 11.246  22.493   0.109   49.69    8      344.3     1974.5
    7   3   1   0 11.549  23.098   0.112   47.01    4      284.1      635.7
    8   3   1   1 12.3    24.601   0.119   41.19    8      249.4      858.6
    9   4   0   0 12.454  24.907   0.121   40.14    2      461.9      717.7
   10   0   2   0 13.651  27.302   0.132   33.06    2       22.7        1.4
   11   3   1   2 14.333  28.667   0.138   29.81    8      152.3      231.8
   12   1   1   3 14.717  29.435   0.142   28.17    8      504.9     2407.3
   13   2   2   0 15.039  30.077   0.145   26.9     4       89.7       36.3
   14   4   0   2 15.083  30.165   0.145   26.73    4       15.6        1.1
   15   2   2   1 15.634  31.268   0.151   24.74    8      227.4      428.8
   16   0   2   2 16.1    32.2     0.155   23.23    4     1048.2     4276.8
   17   0   0   4 16.932  33.864   0.163   20.82    2      803.7     1127.0
   18   5   1   0 17.113  34.226   0.164   20.34    4      659.0     1480.6
   19   3   1   3 17.236  34.471   0.166   20.03    8       84.0       47.4
   20   2   2   2 17.31   34.62    0.166   19.84    8        7.2        0.3
   21   5   1   1 17.646  35.292   0.169   19.03    8      606.7     2347.6
   22   2   0   4 18.093  36.185   0.174   18.01    4       20.1        1.2
   23   1   1   4 18.592  37.184   0.178   16.97    8      464.4     1226.3
   24   4   2   0 18.644  37.289   0.179   16.86    4       46.2        6.0
   25   6   0   0 18.873  37.746   0.181   16.42    2       44.3        2.7
   26   4   2   1 19.14   38.28    0.183   15.91    8        7.4        0.3
   27   5   1   2 19.167  38.333   0.184   15.86    8      524.3     1461.8
   28   2   2   3 19.826  39.652   0.19    14.72    8      255.2      321.4
   29   4   2   2 20.567  41.133   0.196   13.56    8      852.2     3302.0
   30   3   1   4 20.696  41.393   0.198   13.38    8      107.4       51.7
   31   6   0   2 20.777  41.555   0.198   13.26    4      561.1      699.6
   32   1   3   0 20.983  41.966   0.2     12.97    4      394.8      338.8
   33   4   0   4 21.247  42.494   0.203   12.61    4      755.9     1207.7
   34   1   3   1 21.433  42.866   0.204   12.37    8      331.2      454.6
   35   5   1   3 21.498  42.996   0.205   12.28    8      392.3      633.7
   36   0   2   4 22.015  44.031   0.21    11.64    4       20.8        0.8
   37   1   1   5 22.735  45.47    0.216   10.83    8      375.1      510.6
   38   1   3   2 22.741  45.482   0.216   10.82    8      255.6      237.0
   39   4   2   3 22.78   45.559   0.216   10.78    8       46.6        7.9
   40   3   3   0 22.905  45.81    0.218   10.65    4      135.7       32.8
   41   2   2   4 22.958  45.916   0.218   10.59    8      423.7      637.3
   42   7   1   0 23.291  46.582   0.221   10.25    4      121.5       25.4
   43   3   3   1 23.326  46.651   0.221   10.22    8      109.0       40.7
   44   6   2   0 23.604  47.209   0.224    9.95    4      238.6       94.9
   45   7   1   1 23.707  47.413   0.225    9.85    8       79.5       20.8
   46   6   2   1 24.015  48.031   0.228    9.57    8      260.3      217.2
   47   5   1   4 24.457  48.914   0.231    9.18    8      388.8      465.0
   48   3   1   5 24.549  49.097   0.232    9.1     8        2.3        0.0
   49   3   3   2 24.554  49.108   0.232    9.09    8      142.9       62.3
   50   1   3   3 24.8    49.6     0.234    8.89    8      144.3       62.1
   51   7   1   2 24.921  49.842   0.236    8.79    8       99.6       29.2
   52   6   2   2 25.219  50.437   0.238    8.56    8       35.0        3.5
   53   8   0   0 25.55   51.1     0.241    8.31    2      732.4      373.5
   54   4   2   4 25.624  51.248   0.242    8.25    8       13.6        0.5
   55   6   0   4 25.802  51.604   0.243    8.12    4        8.6        0.1
   56   0   0   6 25.903  51.807   0.244    8.05    2      116.4        9.1
   57   5   3   0 26.42   52.841   0.249    7.7     4      290.8      109.1
   58   3   3   3 26.507  53.014   0.249    7.64    8      285.2      208.3
   59   2   2   5 26.555  53.109   0.25     7.61    8      145.5       54.0
   60   2   0   6 26.741  53.483   0.252    7.49    4      250.1       78.5
   61   5   3   1 26.8    53.599   0.252    7.45    8      372.5      346.6
   62   7   1   3 26.854  53.709   0.253    7.42    8      248.7      153.7
   63   8   0   2 27.079  54.158   0.254    7.28    4       62.6        4.8
   64   1   1   6 27.111  54.221   0.255    7.26    8      371.7      336.2
   65   6   2   3 27.137  54.274   0.255    7.24    8      182.7       81.0
   66   1   3   4 27.488  54.977   0.258    7.03    8       91.9       19.9
   67   5   1   5 27.911  55.822   0.262    6.79    8      461.1      484.2
   68   5   3   2 27.916  55.832   0.262    6.79    8      389.3      345.0
   69   0   4   0 28.165  56.33    0.264    6.66    2      791.1      349.0
   70   3   1   6 28.721  57.442   0.269    6.37    8       55.7        6.6
   71   2   4   0 28.958  57.916   0.271    6.25    4        8.7        0.1
   72   4   2   5 28.979  57.958   0.271    6.24    8       19.4        0.8
   73   3   3   4 29.085  58.17    0.272    6.19    8      358.7      266.9
   74   4   0   6 29.156  58.311   0.272    6.16    4      133.4       18.4
   75   2   4   1 29.315  58.63    0.274    6.08    8        6.3        0.1
   76   7   1   4 29.412  58.824   0.275    6.04    8      222.6      100.3
   77   8   2   0 29.449  58.898   0.275    6.02    4        3.6        0.0
   78   0   4   2 29.601  59.203   0.276    5.95    4       34.5        1.2
   79   6   2   4 29.678  59.357   0.277    5.91    8      449.4      400.3
   80   5   3   3 29.714  59.429   0.277    5.9     8      582.6      671.1
   81   0   2   6 29.771  59.541   0.278    5.87    4      807.6      642.0
   82   8   2   1 29.802  59.605   0.278    5.86    8       56.1        6.2
   83   9   1   0 29.957  59.915   0.279    5.79    4      200.7       39.1
   84   9   1   1 30.307  60.614   0.282    5.64    8      246.7      115.1
   85   2   4   2 30.371  60.742   0.283    5.62    8      202.1       76.9
   86   2   2   6 30.537  61.075   0.284    5.55    8        6.1        0.1
   87   1   3   5 30.707  61.413   0.285    5.48    8      187.9       64.9
   88   8   2   2 30.848  61.696   0.287    5.43    8      289.0      151.9
   89   7   3   0 31.161  62.321   0.289    5.31    4      218.6       42.5
   90   4   4   0 31.261  62.522   0.29     5.27    4     1081.8     1033.4
   91   9   1   2 31.343  62.685   0.291    5.24    8      345.5      209.6
   92   8   0   4 31.36   62.721   0.291    5.23    4        1.9        0.0
   93   7   3   1 31.502  63.005   0.292    5.18    8      183.1       58.2
   94   4   4   1 31.602  63.205   0.293    5.14    8       22.8        0.9
   95   1   1   7 31.73   63.46    0.294    5.1     8      174.1       51.8
   96   5   1   6 31.784  63.568   0.294    5.08    8      410.1      286.3
   97   2   4   3 32.084  64.168   0.297    4.98    8       44.8        3.3
   98   5   3   4 32.127  64.253   0.297    4.96    8      676.2      760.6
   99   3   3   5 32.203  64.407   0.298    4.94    8      205.2       69.7
  100   7   1   5 32.512  65.023   0.3      4.84    8      161.6       42.3
  101   7   3   2 32.516  65.032   0.3      4.84    8       67.4        7.4
  102   8   2   3 32.547  65.093   0.301    4.83    8        5.6        0.1
  103   4   4   2 32.614  65.229   0.301    4.8     8       57.3        5.3
  104  10   0   0 32.624  65.248   0.301    4.8     2       12.2        0.1
  105   6   2   5 32.763  65.526   0.303    4.76    8       79.3       10.0
  106   4   2   6 32.775  65.549   0.303    4.75    8      648.7      670.5
  107   6   0   6 32.928  65.855   0.304    4.71    4      564.9      251.7
  108   9   1   3 33.027  66.054   0.305    4.68    8      492.4      380.1
  109   3   1   7 33.201  66.402   0.306    4.62    8      223.0       77.1
  110   0   4   4 33.685  67.37    0.31     4.49    4     1006.5      761.5
  111  10   0   2 33.948  67.896   0.312    4.41    4      681.6      343.5
  112   7   3   3 34.17   68.34    0.314    4.35    8       68.1        6.8
  113   4   4   3 34.266  68.532   0.315    4.33    8       27.0        1.1
  114   1   3   6 34.393  68.786   0.316    4.3     8      165.9       39.6
  115   2   4   4 34.403  68.806   0.316    4.29    8        4.7        0.0
  116   8   2   4 34.85   69.7     0.319    4.18    8       56.3        4.4
  117   2   2   7 34.884  69.767   0.32     4.17    8      258.1       93.2
  118   6   4   0 34.905  69.81    0.32     4.17    4       17.8        0.2
  119   5   3   5 35.093  70.186   0.321    4.12    8      519.9      373.5
  120   6   4   1 35.228  70.456   0.322    4.09    8       65.6        5.9
  121   9   1   4 35.315  70.631   0.323    4.07    8      586.3      468.9
  122   0   0   8 35.625  71.249   0.326    4.0     2     1320.7      584.7
  123   3   3   6 35.809  71.618   0.327    3.96    8      167.9       37.4
  124   5   1   7 36.051  72.103   0.329    3.91    8      517.3      350.5
  125  10   2   0 36.052  72.104   0.329    3.91    4      800.7      419.9
  126   7   1   6 36.102  72.204   0.329    3.9     8      106.0       14.7
  127   6   4   2 36.189  72.378   0.33     3.88    8      380.0      187.8
  128   2   0   8 36.325  72.651   0.331    3.85    4        3.5        0.0
  129   1   5   0 36.333  72.665   0.331    3.85    4      297.4       57.1
  130   6   2   6 36.342  72.684   0.331    3.85    8       34.6        1.5
  131  10   2   1 36.37   72.741   0.331    3.84    8      180.6       42.0
  132   7   3   4 36.425  72.85    0.332    3.83    8      124.7       20.0
  133   4   4   4 36.518  73.036   0.333    3.81    8      318.7      129.8
  134   1   1   8 36.637  73.274   0.334    3.79    8      136.2       23.6
  135   1   5   1 36.65   73.3     0.334    3.79    8      363.6      167.8
  136   9   3   0 36.915  73.829   0.336    3.74    4      480.2      144.4
  137   4   2   7 36.987  73.974   0.336    3.72    8       14.3        0.3
  138  11   1   0 37.205  74.409   0.338    3.68    4      265.4       43.4
  139   9   3   1 37.23   74.461   0.338    3.68    8      391.6      189.0
  140   2   4   5 37.284  74.568   0.339    3.67    8       51.6        3.3
  141  10   2   2 37.32   74.64    0.339    3.66    8       23.8        0.7
  142  11   1   1 37.519  75.039   0.34     3.63    8      300.7      109.9
  143   1   5   2 37.597  75.194   0.341    3.61    8      368.9      164.7
  144   8   2   5 37.717  75.433   0.342    3.59    8       24.0        0.7
  145   3   5   0 37.718  75.437   0.342    3.59    4       26.1        0.4
  146   6   4   3 37.77   75.539   0.342    3.58    8       26.3        0.8
  147  10   0   4 37.789  75.578   0.343    3.58    4       97.6        5.7
  148   8   0   6 37.871  75.743   0.343    3.57    4       60.2        2.2
  149   3   1   8 38.019  76.038   0.344    3.54    8      196.3       45.8
  150   3   5   1 38.032  76.063   0.344    3.54    8       13.5        0.2
  151   9   1   5 38.168  76.336   0.345    3.52    8      426.1      214.0
  152   9   3   2 38.172  76.344   0.345    3.52    8      473.6      264.4
  153   4   0   8 38.397  76.795   0.347    3.48    4      399.0       92.8
  154  11   1   2 38.459  76.917   0.348    3.47    8      153.5       27.4
  155   1   3   7 38.527  77.054   0.348    3.46    8      326.6      123.7
  156   5   3   6 38.577  77.153   0.349    3.45    8      446.7      230.9
  157  10   2   3 38.884  77.768   0.351    3.41    8      178.6       36.4
  158   0   2   8 38.937  77.875   0.351    3.4     4       10.5        0.1
  159   3   5   2 38.967  77.934   0.352    3.39    8      106.2       12.8
  160   1   5   3 39.157  78.315   0.353    3.37    8      143.2       23.2
  161   7   3   5 39.247  78.495   0.354    3.35    8       28.1        0.9
  162   4   4   5 39.338  78.677   0.354    3.34    8       12.9        0.2
  163   2   2   8 39.617  79.234   0.356    3.3     8      138.0       21.1
  164   9   3   3 39.726  79.451   0.357    3.29    8      305.5      102.9
  165   8   4   0 39.746  79.492   0.357    3.29    4       79.5        3.5
  166   3   3   7 39.887  79.774   0.358    3.27    8       43.3        2.1
  167   6   4   4 39.946  79.892   0.359    3.26    8       74.2        6.0
  168  11   1   3 40.009  80.018   0.359    3.25    8       25.2        0.7
  169   0   4   6 40.027  80.054   0.36     3.25    4       90.6        4.5
  170   8   4   1 40.055  80.109   0.36     3.25    8       71.1        5.5
  171   7   1   7 40.17   80.34    0.361    3.23    8        9.6        0.1
  172  12   0   0 40.312  80.624   0.362    3.22    2       15.1        0.1
  173   6   2   7 40.402  80.804   0.362    3.21    8      276.9       82.4
  174   5   5   0 40.442  80.884   0.363    3.2     4      294.8       46.6
  175   3   5   3 40.512  81.023   0.363    3.19    8      199.9       42.7
  176   2   4   6 40.702  81.403   0.365    3.17    8      258.7       71.1
  177   5   1   8 40.737  81.473   0.365    3.17    8      490.2      255.1
  178   5   5   1 40.749  81.498   0.365    3.17    8      305.7       99.1
  179   8   4   2 40.977  81.954   0.367    3.14    8       11.6        0.1
  180  10   2   4 41.044  82.088   0.367    3.13    8      829.6      722.8
  181   8   2   6 41.124  82.248   0.368    3.12    8      240.9       60.8
  182   1   5   4 41.314  82.628   0.369    3.11    8       92.3        8.9
  183  12   0   2 41.539  83.079   0.371    3.08    4       14.6        0.1
  184   9   1   6 41.565  83.131   0.371    3.08    8      415.9      178.6
  185   4   2   8 41.639  83.278   0.371    3.07    8       29.5        0.9
  186   5   5   2 41.668  83.337   0.372    3.07    8      357.4      131.4
  187   6   0   8 41.78   83.559   0.372    3.06    4       39.5        0.8
  188   9   3   4 41.875  83.75    0.373    3.05    8      272.1       75.7
  189   1   1   9 41.913  83.826   0.373    3.05    8      213.4       46.5
  190  11   1   4 42.155  84.311   0.375    3.02    8       28.6        0.8
  191   8   4   3 42.506  85.012   0.378    2.99    8       43.2        1.9
  192   5   3   7 42.576  85.152   0.378    2.99    8      304.6       92.9
  193   7   3   6 42.624  85.249   0.379    2.98    8       17.2        0.3
  194   3   5   4 42.654  85.307   0.379    2.98    8      110.2       12.1
  195   6   4   5 42.703  85.407   0.379    2.98    8       22.0        0.5
  196   4   4   6 42.714  85.428   0.379    2.98    8       63.9        4.1
  197   1   3   8 43.137  86.273   0.382    2.94    8      324.9      104.1
  198   5   5   3 43.193  86.387   0.383    2.94    8      512.6      258.9
  199   3   1   9 43.25   86.5     0.383    2.94    8      134.3       17.7
  200  12   2   0 43.523  87.047   0.385    2.92    4        1.4        0.0
  201  11   3   0 43.682  87.365   0.386    2.9     4       46.0        1.0
  202  10   2   5 43.79   87.579   0.387    2.9     8       81.8        6.5
  203  12   2   1 43.828  87.655   0.387    2.9     8       43.8        1.9
  204  10   0   6 43.94   87.879   0.388    2.89    4      636.1      195.9
  205  11   3   1 43.986  87.973   0.388    2.89    8      156.9       23.8
  206   1   5   5 44.057  88.115   0.389    2.88    8      206.1       41.0
  207   7   5   0 44.458  88.915   0.392    2.86    4      267.0       34.1
  208   3   3   8 44.47   88.941   0.392    2.86    8      104.7       10.5
  209   9   3   5 44.615  89.23    0.393    2.85    8      338.3      109.3
  210   8   4   4 44.635  89.27    0.393    2.85    8      415.2      164.5
  211   2   4   7 44.666  89.333   0.393    2.85    8       21.3        0.4
  212  12   2   2 44.739  89.478   0.393    2.84    8      156.3       23.3
  213   7   1   8 44.749  89.498   0.394    2.84    8       75.8        5.5
  214   7   5   1 44.761  89.523   0.394    2.84    8      236.2       53.1
  215   2   2   9 44.812  89.624   0.394    2.84    8       26.3        0.7
  216  11   1   5 44.894  89.787   0.395    2.83    8       46.1        2.0
  217  11   3   2 44.898  89.796   0.395    2.83    8      205.0       39.9
  218   6   2   8 44.978  89.955   0.395    2.83    8      280.1       74.4


  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   1   0   7.454  14.909  6.89452      278.0      6.5      6.6     5.6
    2   1   1   1   8.556  17.111  6.01239     1395.5     32.6     33.0     5.6
    3   2   0   2  10.439  20.878  4.93651      222.6      5.2      5.3     5.6
    4   1   1   2  11.246  22.493  4.58632     1974.5     46.2     46.5     5.6
    5   3   1   0  11.549  23.098  4.46764      635.7     14.9     15.0     5.6
    6   3   1   1  12.3    24.601  4.19862      858.6     20.1     20.2     5.6
    7   4   0   0  12.454  24.907  4.14775      717.7     16.8     16.9     5.6
    8   3   1   2  14.333  28.667  3.61304      231.8      5.4      5.4     5.6
    9   1   1   3  14.717  29.435  3.5208      2407.3     56.3     56.4     5.6
   10   2   2   1  15.634  31.268  3.31906      428.8     10.0     10.0     5.6
   11   0   2   2  16.1    32.2    3.22544     4276.8    100.0    100.0     5.6
   12   0   0   4  16.932  33.864  3.07125     1127.0     26.4     26.3     5.7
   13   5   1   0  17.113  34.226  3.03971     1480.6     34.6     34.6     5.7
   14   3   1   3  17.236  34.471  3.01876       47.4      1.1      1.1     5.7
   15   5   1   1  17.646  35.292  2.95072     2347.6     54.9     54.7     5.7
   16   1   1   4  18.592  37.184  2.80548     1226.3     28.7     28.5     5.7
   17   5   1   2  19.167  38.333  2.72437     1461.8     34.2     34.0     5.7
   18   2   2   3  19.826  39.652  2.63722      321.4      7.5      7.5     5.7
   19   4   2   2  20.567  41.133  2.54618     3302.0     77.2     76.6     5.7
   20   3   1   4  20.696  41.393  2.53091       51.7      1.2      1.2     5.7
   21   6   0   2  20.777  41.555  2.52146      699.6     16.4     16.2     5.7
   22   1   3   0  20.983  41.966  2.49787      338.8      7.9      7.8     5.7
   23   4   0   4  21.247  42.494  2.46825     1207.7     28.2     28.0     5.7
   24   1   3   1  21.433  42.866  2.44778      454.6     10.6     10.5     5.7
   25   5   1   3  21.498  42.996  2.44076      633.7     14.8     14.7     5.7
   26   1   1   5  22.735  45.47   2.31443      747.6     17.5     17.3     5.7
   27   2   2   4  22.958  45.916  2.29316      637.3     14.9     14.7     5.7
   28   6   2   0  23.604  47.209  2.23382       94.9      2.2      2.2     5.7
   29   6   2   1  24.015  48.031  2.19778      217.2      5.1      5.0     5.7
   30   5   1   4  24.457  48.914  2.16046      465.0     10.9     10.7     5.7
   31   3   3   2  24.554  49.108  2.15245       62.3      1.5      1.4     5.7
   32   1   3   3  24.8    49.6    2.13246       62.1      1.5      1.4     5.7
   33   8   0   0  25.55   51.1    2.07387      373.5      8.7      8.6     5.8
   34   5   3   0  26.42   52.841  2.01022      109.1      2.6      2.5     5.8
   35   3   3   3  26.507  53.014  2.00413      208.3      4.9      4.8     5.8
   36   2   2   5  26.555  53.109  2.0008        54.0      1.3      1.2     5.8
   37   2   0   6  26.741  53.483  1.98784       78.5      1.8      1.8     5.8
   38   5   3   1  26.8    53.599  1.98384      346.6      8.1      7.9     5.8
   39   7   1   3  26.854  53.709  1.9801       153.7      3.6      3.5     5.8
   40   1   1   6  27.111  54.221  1.96278      417.2      9.8      9.5     5.8
   41   5   1   5  27.911  55.822  1.91083      829.3     19.4     18.9     5.8
   42   0   4   0  28.165  56.33   1.895        349.0      8.2      7.9     5.8
   43   3   3   4  29.085  58.17   1.84005      266.9      6.2      6.1     5.8
   44   7   1   4  29.412  58.824  1.8214       100.3      2.3      2.3     5.8
   45   6   2   4  29.678  59.357  1.80652      400.3      9.4      9.1     5.8
   46   5   3   3  29.714  59.429  1.80452      671.1     15.7     15.2     5.8
   47   0   2   6  29.771  59.541  1.80143      642.0     15.0     14.6     5.8
   48   9   1   1  30.307  60.614  1.77249      115.1      2.7      2.6     5.8
   49   2   4   2  30.371  60.742  1.76913       76.9      1.8      1.7     5.8
   50   1   3   5  30.707  61.413  1.75163       64.9      1.5      1.5     5.8
   51   8   2   2  30.848  61.696  1.74441      151.9      3.6      3.4     5.8
   52   4   4   0  31.261  62.522  1.72363     1033.4     24.2     23.3     5.8
   53   9   1   2  31.343  62.685  1.71961      209.6      4.9      4.7     5.8
   54   7   3   1  31.502  63.005  1.71177       58.2      1.4      1.3     5.9
   55   1   1   7  31.73   63.46   1.70076       51.8      1.2      1.2     5.9
   56   5   1   6  31.784  63.568  1.69818      286.3      6.7      6.5     5.9
   57   5   3   4  32.127  64.253  1.68197      760.6     17.8     17.1     5.9
   58   3   3   5  32.203  64.407  1.6784        69.7      1.6      1.6     5.9
   59   7   1   5  32.512  65.023  1.6642        49.7      1.2      1.1     5.9
   60   4   2   6  32.775  65.549  1.65232      680.5     15.9     15.3     5.9
   61   6   0   6  32.928  65.855  1.6455       251.7      5.9      5.7     5.9
   62   9   1   3  33.027  66.054  1.6411       380.1      8.9      8.5     5.9
   63   3   1   7  33.201  66.402  1.63349       77.1      1.8      1.7     5.9
   64   0   4   4  33.685  67.37   1.61272      761.5     17.8     17.0     5.9
   65  10   0   2  33.948  67.896  1.6017       343.5      8.0      7.7     5.9
   66   2   2   7  34.884  69.767  1.56399       93.4      2.2      2.1     5.9
   67   5   3   5  35.093  70.186  1.55584      373.5      8.7      8.3     5.9
   68   9   1   4  35.315  70.631  1.5473       468.9     11.0     10.4     5.9
   69   0   0   8  35.625  71.249  1.53562      584.7     13.7     13.0     5.9
   70  10   2   0  36.052  72.104  1.51985      770.4     18.0     17.1     5.9
   71   6   4   2  36.189  72.378  1.51487      187.8      4.4      4.2     5.9
   72   1   5   0  36.333  72.665  1.50971       58.6      1.4      1.3     6.0
   73   4   4   4  36.518  73.036  1.5031       129.8      3.0      2.9     6.0
   74   1   5   1  36.65   73.3    1.49844      191.4      4.5      4.2     6.0
   75   9   3   0  36.915  73.829  1.48921      144.4      3.4      3.2     6.0
   76   9   3   1  37.23   74.461  1.47839      232.5      5.4      5.1     6.0
   77  11   1   1  37.519  75.039  1.46866      109.9      2.6      2.4     6.0
   78   1   5   2  37.597  75.194  1.46608      164.7      3.9      3.6     6.0
   79   3   1   8  38.019  76.038  1.45223       46.0      1.1      1.0     6.0
   80   9   3   2  38.172  76.344  1.44729      478.4     11.2     10.5     6.0
   81   4   0   8  38.397  76.795  1.4401        92.8      2.2      2.0     6.0
   82   1   3   7  38.527  77.054  1.436        123.7      2.9      2.7     6.0
   83   5   3   6  38.577  77.153  1.43444      230.9      5.4      5.1     6.0
   84   9   3   3  39.726  79.451  1.39954      106.4      2.5      2.3     6.0
   85   6   2   7  40.402  80.804  1.38003       82.4      1.9      1.8     6.1
   86   5   5   0  40.442  80.884  1.3789        46.6      1.1      1.0     6.1
   87   2   4   6  40.702  81.403  1.37162       71.1      1.7      1.5     6.1
   88   5   1   8  40.737  81.473  1.37065      354.2      8.3      7.7     6.1
   89  10   2   4  41.044  82.088  1.36218      722.8     16.9     15.7     6.1
   90   8   2   6  41.124  82.248  1.36          60.8      1.4      1.3     6.1
   91   9   1   6  41.565  83.131  1.34815      178.6      4.2      3.9     6.1
   92   5   5   2  41.668  83.337  1.34542      131.4      3.1      2.8     6.1
   93   9   3   4  41.875  83.75   1.33999       75.7      1.8      1.6     6.1
   94   1   1   9  41.913  83.826  1.33901       46.5      1.1      1.0     6.1
   95   5   3   7  42.576  85.152  1.32206       92.9      2.2      2.0     6.1
   96   1   3   8  43.137  86.273  1.30818      104.1      2.4      2.2     6.1
   97   5   5   3  43.193  86.387  1.30681      258.9      6.1      5.6     6.1
   98  10   0   6  43.94   87.879  1.28903      195.9      4.6      4.2     6.2
   99   7   5   0  44.458  88.915  1.2771        44.6      1.0      1.0     6.2
  100   8   4   4  44.635  89.27   1.27309      273.8      6.4      5.8     6.2
  101   7   5   1  44.761  89.523  1.27026       81.8      1.9      1.7     6.2
  102   6   2   8  44.978  89.955  1.26545       74.4      1.7      1.6     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
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