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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SENEGALITE

1

Al(2)(OH)(3)[H(2)O][PO(4)]


Orthorhombic  * P2(1)nb  Z = 4

R =0.024          NR =1288

6 .11 .1990

Ref.Str.:

         Keegan T.D., Araki T., Moore P.B. (1979)

         * Amer. Mineral., 64, 1243-1247

Reserv:

         See U(ij) in the original

                   Initial data from BDM-file 

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

             a =   7.675    alpha =   90.0 
             b =   9.711    beta  =   90.0 
             c =   7.635    gamma =   90.0 

    Unit cell volume (cub. angs.) =   569.05

    Molar volume ( cub.cm/mol.) =    85.69

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

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

   1 0.5     0.1989  0.5229   0.56   Al    = 1.00
   2 0.8832  0.3495  0.662    0.56   Al    = 1.00
   3 0.5193  0.4825  0.6869   0.52   P     = 1.00
   4 0.7179  0.4818  0.7206   0.88   O     = 1.00
   5 0.4311  0.5615  0.8375   0.88   O     = 1.00
   6 0.4465  0.3349  0.6882   0.86   O     = 1.00
   7 0.4845  0.5502  0.5116   1.11   O     = 1.00
   8 0.7255  0.2552  0.5134   0.88   OH    = 1.00
   9 0.0423  0.4254  0.8294   0.72   OH    = 1.00
  10 0.831   0.2452  0.8698   0.72   OH    = 1.00
  11 0.0521  0.2018  0.605    1.07   H(2)O = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.5        0.1989     0.5229
     2       2     0.8832     0.3495     0.662 
     3       3     0.5193     0.4825     0.6869
     4       4     0.7179     0.4818     0.7206
     5       5     0.4311     0.5615     0.8375
     6       6     0.4465     0.3349     0.6882
     7       7     0.4845     0.5502     0.5116
     8       8     0.7255     0.2552     0.5134
     9       9     0.0423     0.4254     0.8294
    10      10     0.831      0.2452     0.8698
    11      11     0.0521     0.2018     0.605 
    12       1     0.5        0.6989     0.9771
    13       2     0.8832     0.8495     0.838 
    14       3     0.5193     0.9825     0.8131
    15       4     0.7179     0.9818     0.7794
    16       5     0.4311     0.0615     0.6625
    17       6     0.4465     0.8349     0.8118
    18       7     0.4845     0.0502     0.9884
    19       8     0.7255     0.7552     0.9866
    20       9     0.0423     0.9254     0.6706
    21      10     0.831      0.7452     0.6302
    22      11     0.0521     0.7018     0.895 
    23       1     0.0        0.3011     0.0229
    24       2     0.3832     0.1505     0.162 
    25       3     0.0193     0.0175     0.1869
    26       4     0.2179     0.0182     0.2206
    27       5     0.9311     0.9385     0.3375
    28       6     0.9465     0.1651     0.1882
    29       7     0.9845     0.9498     0.0116
    30       8     0.2255     0.2448     0.0134
    31       9     0.5423     0.0746     0.3294
    32      10     0.331      0.2548     0.3698
    33      11     0.5521     0.2982     0.105 
    34       1     0.0        0.8011     0.4771
    35       2     0.3832     0.6505     0.338 
    36       3     0.0193     0.5175     0.3131
    37       4     0.2179     0.5182     0.2794
    38       5     0.9311     0.4385     0.1625
    39       6     0.9465     0.6651     0.3118
    40       7     0.9845     0.4498     0.4884
    41       8     0.2255     0.7448     0.4866
    42       9     0.5423     0.5746     0.1706
    43      10     0.331      0.7548     0.1302
    44      11     0.5521     0.7982     0.395 


X-ray density (g/cm cub.)   =      2.54

MU (1/cm) =      75.234    Mass attenuation coefficient (cm**2/g) =     29.58 

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

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

    1    Al                  2.484        5
                                                 1.8725       6
                                                 1.8166       8
                                                 1.7875       5
                                                 1.935        9
                                                 1.8286      10
    2    Al                  2.484        6
                                                 1.8603       4
                                                 1.8948       8
                                                 1.9152       9
                                                 1.9244      10
                                                 1.9815      11
                                                 1.8194       7
    3    P                   2.4          4
                                                 1.5459       4
                                                 1.5392       5
                                                 1.5386       6
                                                 1.5146       7
    4    O                   3.432        9
                                                 2.4982       5
                                                 2.5367       6
                                                 2.4893       7
                                                 2.7108       8
                                                 2.6812       9
                                                 2.7074      10
                                                 3.3432       8
                                                 2.7879      10
                                                 2.7251       7
    5    O                   3.432       10
                                                 2.4982       4
                                                 2.4811       6
                                                 2.5242       7
                                                 3.2642       9
                                                 2.6649       6
                                                 3.1527       8
                                                 3.242       11
                                                 3.4017      11
                                                 2.6856       9
                                                 3.018       10
    6    O                   3.432       11
                                                 2.5367       4
                                                 2.4811       5
                                                 2.5049       7
                                                 2.6392       8
                                                 3.3998       9
                                                 3.3749      10
                                                 3.3522      11
                                                 2.6648       5
                                                 3.1317       8
                                                 2.702       10
                                                 3.3031      11
    7    O                   3.432       10
                                                 2.4893       4
                                                 2.5242       5
                                                 2.5049       6
                                                 3.41         8
                                                 3.3879      10
                                                 3.2847      10
                                                 2.7251       4
                                                 2.7494       8
                                                 2.6517       9
                                                 2.6195      11
    8    OH                  3.48        12
                                                 2.7108       4
                                                 2.6392       6
                                                 3.41         7
                                                 2.8407      10
                                                 2.6536      11
                                                 3.3432       4
                                                 3.1527       5
                                                 3.1317       6
                                                 2.6507       9
                                                 3.2202      10
                                                 3.4159      11
                                                 2.7494       7
    9    OH                  3.48         9
                                                 2.6812       4
                                                 3.2642       5
                                                 3.3998       6
                                                 2.4057      10
                                                 2.7669      11
                                                 2.7315      11
                                                 2.6507       8
                                                 2.6856       5
                                                 2.6517       7
   10    OH                  3.48        12
                                                 2.7074       4
                                                 3.3749       6
                                                 2.8407       8
                                                 2.4057       9
                                                 2.673       11
                                                 2.7879       4
                                                 3.3879       7
                                                 2.702        6
                                                 3.2847       7
                                                 3.2202       8
                                                 2.8411      11
                                                 3.018        5
   11    H(2)O               3.6         12
                                                 3.3522       6
                                                 2.6536       8
                                                 2.7669       9
                                                 2.673       10
                                                 3.5939       4
                                                 3.242        5
                                                 2.7315       9
                                                 3.4017       5
                                                 3.3031       6
                                                 3.4159       8
                                                 2.8411      10
                                                 2.6195       7

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

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

    1   0   1   1  7.373  14.747   0.083  118.48    4       27.9      113.8
    2   1   0   1  8.181  16.363   0.092   95.82    4       58.8      409.7
    3   0   2   0  9.128  18.256   0.103   76.54    2        4.7        1.1
    4   1   1   1  9.376  18.753   0.106   72.42    8       38.0      257.8
    5   1   2   0 10.82   21.64    0.122   53.85    4       70.5      330.6
    6   0   2   1 10.836  21.673   0.122   53.68    4       61.1      248.0
    7   2   0   0 11.579  23.159   0.13    46.75    2      147.5      627.9
    8   0   0   2 11.641  23.282   0.131   46.24    2       26.3       19.8
    9   1   2   1 12.305  24.61    0.138   41.16    8       65.4      434.6
   10   0   1   2 12.522  25.043   0.141   39.68    4       61.8      187.2
   11   2   1   1 13.783  27.566   0.155   32.4     8       15.0       18.1
   12   1   1   2 13.822  27.644   0.155   32.2     8       52.3      218.0
   13   2   2   0 14.824  29.647   0.166   27.74    4       52.6       94.8
   14   0   2   2 14.873  29.745   0.167   27.54    4       93.0      294.0
   15   0   3   1 14.979  29.958   0.168   27.13    4       41.9       58.9
   16   2   2   1 15.963  31.926   0.179   23.66    8       28.6       47.9
   17   1   2   2 15.998  31.995   0.179   23.55    8       26.2       39.9
   18   1   3   1 16.097  32.194   0.18    23.23    8       18.5       19.7
   19   2   0   2 16.536  33.071   0.185   21.92    4       20.2       11.1
   20   2   1   2 17.185  34.37    0.192   20.16    8       48.3      116.1
   21   0   3   2 18.179  36.359   0.203   17.83    4       18.9        7.8
   22   0   1   3 18.233  36.466   0.203   17.71    4       29.3       18.7
   23   0   4   0 18.499  36.997   0.206   17.16    2       76.9       62.7
   24   3   0   1 18.514  37.028   0.206   17.12    4       71.0      106.6
   25   1   0   3 18.595  37.189   0.207   16.96    4       30.9       20.1
   26   2   2   2 19.016  38.033   0.212   16.14    8       36.4       52.9
   27   2   3   1 19.102  38.204   0.212   15.98    8       64.0      161.6
   28   3   1   1 19.105  38.21    0.212   15.98    8       26.8       28.3
   29   1   3   2 19.131  38.263   0.213   15.93    8       30.5       36.7
   30   1   1   3 19.183  38.366   0.213   15.83    8       25.8       26.0
   31   1   4   0 19.437  38.875   0.216   15.38    4       25.2       12.1
   32   0   4   1 19.447  38.894   0.216   15.36    4        7.1        0.9
   33   3   2   0 19.897  39.793   0.221   14.6     4       26.4       12.6
   34   0   2   3 19.982  39.963   0.222   14.47    4       36.0       23.1
   35   1   4   1 20.349  40.697   0.226   13.89    8       46.8       75.3
   36   3   2   1 20.791  41.582   0.23    13.24    8       12.6        5.2
   37   1   2   3 20.864  41.728   0.231   13.14    8       31.2       31.6
   38   2   3   2 21.776  43.553   0.241   11.93    8       53.5       84.4
   39   3   1   2 21.779  43.558   0.241   11.93    8       60.8      108.9
   40   2   1   3 21.823  43.645   0.241   11.88    8        6.9        1.4
   41   2   4   0 22.052  44.103   0.244   11.6     4       37.7       20.4
   42   0   4   2 22.087  44.173   0.244   11.56    4       16.0        3.7
   43   0   3   3 22.644  45.288   0.25    10.93    4       46.5       29.2
   44   2   4   1 22.878  45.755   0.252   10.68    8       57.8       88.0
   45   1   4   2 22.903  45.806   0.253   10.65    8       19.9       10.5
   46   3   2   2 23.306  46.612   0.257   10.24    8       38.5       37.5
   47   2   2   3 23.348  46.696   0.257   10.2     8       24.2       14.8
   48   3   3   1 23.379  46.758   0.258   10.17    8       30.2       22.9
   49   1   3   3 23.445  46.891   0.258   10.1     8       77.5      149.7
   50   4   0   0 23.669  47.338   0.261    9.89    2       82.4       41.4
   51   0   0   4 23.8    47.601   0.262    9.76    2        3.3        0.1
   52   0   5   1 24.157  48.313   0.266    9.44    4       14.3        2.4
   53   0   1   4 24.285  48.57    0.267    9.33    4        8.3        0.8
   54   1   5   1 24.92   49.841   0.274    8.79    8       17.7        6.8
   55   4   1   1 24.927  49.854   0.274    8.79    8       11.4        2.8
   56   1   1   4 25.046  50.092   0.275    8.69    8       46.7       46.8
   57   2   4   2 25.228  50.457   0.277    8.55    8       19.0        7.6
   58   3   0   3 25.272  50.544   0.277    8.52    4       12.8        1.7
   59   4   2   0 25.573  51.146   0.28     8.29    4       32.0       10.5
   60   3   3   2 25.695  51.39    0.281    8.2     8       11.7        2.8
   61   0   2   4 25.697  51.394   0.281    8.2     4        9.9        1.0
   62   2   3   3 25.734  51.468   0.282    8.17    8       66.3       88.9
   63   3   1   3 25.736  51.472   0.282    8.17    8       17.9        6.5
   64   3   4   0 25.938  51.876   0.284    8.03    4       14.9        2.2
   65   0   4   3 26.008  52.015   0.285    7.98    4       13.6        1.8
   66   4   2   1 26.314  52.628   0.288    7.77    8       11.1        2.4
   67   0   5   2 26.422  52.844   0.289    7.7     4       33.5       10.6
   68   1   2   4 26.428  52.857   0.289    7.69    8       12.9        3.1
   69   3   4   1 26.672  53.345   0.291    7.53    8       21.1        8.3
   70   4   0   2 26.699  53.398   0.292    7.52    4       34.8       11.2
   71   1   4   3 26.733  53.465   0.292    7.49    8       14.7        4.0
   72   2   0   4 26.79   53.579   0.293    7.46    4       33.3       10.2
   73   3   2   3 27.093  54.186   0.296    7.27    8       19.6        6.9
   74   2   5   1 27.117  54.234   0.296    7.25    8       26.9       13.0
   75   1   5   2 27.139  54.279   0.296    7.24    8       27.0       13.0
   76   4   1   2 27.146  54.291   0.296    7.24    8       25.0       11.1
   77   2   1   4 27.235  54.47    0.297    7.18    8       38.2       25.9
   78   0   3   4 27.936  55.872   0.304    6.78    4       43.8       16.1
   79   0   6   0 28.419  56.839   0.309    6.52    2       33.5        4.5
   80   4   2   2 28.456  56.913   0.309    6.5     8       59.9       57.7
   81   4   3   1 28.519  57.039   0.31     6.47    8       63.2       63.9
   82   2   2   4 28.543  57.086   0.31     6.46    8       16.9        4.6
   83   1   3   4 28.628  57.255   0.311    6.42    8       24.8        9.8
   84   3   4   2 28.796  57.593   0.313    6.33    8       24.5        9.4
   85   2   4   3 28.832  57.665   0.313    6.31    8       20.9        6.8
   86   1   6   0 29.104  58.207   0.316    6.18    4       11.9        1.1
   87   0   6   1 29.111  58.221   0.316    6.18    4        7.6        0.4
   88   2   5   2 29.219  58.439   0.317    6.13    8       36.6       20.3
   89   3   3   3 29.259  58.518   0.317    6.11    8       60.3       54.9
   90   1   6   1 29.785  59.569   0.322    5.87    8       36.1       18.9
   91   0   5   3 29.927  59.854   0.324    5.81    4       74.1       39.4
   92   3   5   1 30.535  61.069   0.33     5.55    8       35.8       17.6
   93   4   3   2 30.559  61.119   0.33     5.54    8       27.5       10.3
   94   1   5   3 30.59   61.18    0.33     5.53    8       74.7       76.2
   95   4   1   3 30.596  61.192   0.33     5.53    8        9.2        1.2
   96   2   3   4 30.642  61.285   0.331    5.51    8       21.3        6.1
   97   3   1   4 30.644  61.288   0.331    5.51    8       49.9       33.9
   98   0   1   5 30.706  61.413   0.331    5.48    4       49.6       16.6
   99   4   4   0 30.777  61.553   0.332    5.45    4       74.1       37.0
  100   5   0   1 30.787  61.575   0.332    5.45    4       60.7       24.8
  101   0   4   4 30.887  61.774   0.333    5.41    4       29.5        5.8
  102   1   0   5 30.952  61.905   0.334    5.39    4       36.0        8.6
  103   2   6   0 31.099  62.198   0.335    5.33    4       40.7       10.9
  104   0   6   2 31.126  62.253   0.336    5.32    4       42.2       11.7
  105   5   1   1 31.196  62.391   0.336    5.29    8       49.4       31.9
  106   1   1   5 31.36   62.719   0.338    5.23    8       47.4       29.1
  107   4   4   1 31.436  62.872   0.339    5.2     8       59.0       44.8
  108   1   4   4 31.538  63.076   0.34     5.17    8       29.1       10.8
  109   2   6   1 31.754  63.509   0.342    5.09    8       27.4        9.4
  110   5   2   0 31.755  63.51    0.342    5.09    4       14.2        1.3
  111   1   6   2 31.775  63.55    0.342    5.08    8       48.1       29.1
  112   4   2   3 31.816  63.632   0.342    5.07    8       17.7        3.9
  113   3   2   4 31.863  63.727   0.343    5.05    8       37.1       17.2
  114   0   2   5 31.924  63.848   0.343    5.03    4       42.2       11.0
  115   3   4   3 32.134  64.269   0.345    4.96    8        8.1        0.8
  116   5   2   1 32.403  64.806   0.348    4.87    8       39.7       19.0
  117   3   5   2 32.498  64.996   0.349    4.84    8       14.3        2.4
  118   2   5   3 32.531  65.063   0.349    4.83    8       56.7       38.4
  119   1   2   5 32.564  65.127   0.349    4.82    8       40.0       19.0
  120   5   1   2 33.137  66.274   0.355    4.64    8       46.9       25.2
  121   2   1   5 33.276  66.552   0.356    4.6     8       21.4        5.2
  122   4   4   2 33.37   66.739   0.357    4.58    8       18.1        3.7
  123   2   4   4 33.449  66.898   0.358    4.55    8        3.6        0.1
  124   2   6   2 33.678  67.357   0.36     4.49    8       10.1        1.1
  125   4   3   3 33.795  67.591   0.361    4.45    8       41.8       19.2
  126   3   3   4 33.841  67.683   0.361    4.44    8       10.2        1.1
  127   0   3   5 33.9    67.801   0.362    4.43    4       25.4        3.5
  128   3   6   0 34.275  68.55    0.366    4.33    4       35.0        6.6
  129   5   2   2 34.308  68.616   0.366    4.32    8       40.9       17.8
  130   0   6   3 34.334  68.667   0.366    4.31    4       39.8        8.4
  131   0   7   1 34.356  68.712   0.366    4.3     4       55.1       16.1
  132   5   3   1 34.365  68.73    0.366    4.3     8       31.7       10.7
  133   2   2   5 34.445  68.89    0.367    4.28    8       29.7        9.3
  134   0   5   4 34.459  68.918   0.367    4.28    4       13.1        0.9
  135   1   3   5 34.521  69.042   0.368    4.26    8       13.8        2.0
  136   4   0   4 34.696  69.392   0.369    4.22    4       72.5       27.4
  137   3   6   1 34.899  69.798   0.371    4.17    8       35.8       13.2
  138   1   6   3 34.951  69.901   0.372    4.16    8       20.9        4.5
  139   1   7   1 34.973  69.946   0.372    4.15    8        7.7        0.6
  140   4   5   1 34.978  69.956   0.372    4.15    8       17.3        3.1
  141   1   5   4 35.075  70.15    0.373    4.13    8       36.7       13.7
  142   4   1   4 35.08   70.161   0.373    4.13    8       39.8       16.2
  143   3   5   3 35.641  71.283   0.378    4.0     8       10.8        1.2
  144   5   0   3 35.875  71.75    0.38     3.95    4       23.7        2.7
  145   3   0   5 35.977  71.954   0.381    3.92    4       21.8        2.3
  146   0   7   2 36.212  72.423   0.383    3.88    4       56.0       15.0
  147   5   3   2 36.22   72.441   0.384    3.87    8       31.7        9.6
  148   4   2   4 36.222  72.444   0.384    3.87    8       27.2        7.1
  149   5   1   3 36.254  72.508   0.384    3.87    8       22.3        4.7
  150   2   3   5 36.354  72.708   0.385    3.85    8       28.9        7.9
  151   3   1   5 36.356  72.711   0.385    3.85    8       37.9       13.6
  152   5   4   0 36.42   72.84    0.385    3.83    4       27.6        3.6
  153   4   4   3 36.477  72.954   0.386    3.82    8        9.9        0.9
  154   3   4   4 36.522  73.043   0.386    3.81    8       27.3        7.0
  155   0   4   5 36.579  73.157   0.387    3.8     4       27.2        3.5
  156   3   6   2 36.743  73.485   0.388    3.77    8       34.7       11.2
  157   2   6   3 36.774  73.548   0.389    3.76    8       22.4        4.7
  158   2   7   1 36.796  73.592   0.389    3.76    8       41.3       15.8
  159   1   7   2 36.815  73.63    0.389    3.75    8        6.4        0.4
  160   4   5   2 36.82   73.64    0.389    3.75    8       34.1       10.8
  161   2   5   4 36.896  73.792   0.39     3.74    8       22.9        4.8
  162   6   0   0 37.026  74.051   0.391    3.72    2       69.3       11.0
  163   5   4   1 37.029  74.057   0.391    3.71    8       30.0        8.3
  164   1   4   5 37.18   74.36    0.392    3.69    8       18.1        3.0
  165   0   0   6 37.252  74.505   0.393    3.67    2      102.0       23.6
  166   5   2   3 37.381  74.762   0.394    3.65    8       22.9        4.7
  167   3   2   5 37.482  74.963   0.395    3.63    8       10.6        1.0
  168   0   1   6 37.626  75.252   0.396    3.61    4       31.0        4.3
  169   6   1   1 38.003  76.005   0.4      3.54    8       11.3        1.1
  170   4   3   4 38.095  76.189   0.4      3.53    8       17.9        2.8
  171   1   1   6 38.221  76.442   0.402    3.51    8       26.9        6.3
  172   4   6   0 38.508  77.016   0.404    3.46    4       13.4        0.8
  173   6   2   0 38.515  77.03    0.404    3.46    4        8.1        0.3
  174   2   7   2 38.604  77.208   0.405    3.45    8       28.4        6.9
  175   0   6   4 38.608  77.215   0.405    3.45    4        4.7        0.1
  176   0   2   6 38.739  77.478   0.406    3.43    4        6.7        0.2
  177   5   4   2 38.833  77.666   0.407    3.41    8       15.9        2.1
  178   2   4   5 38.963  77.927   0.408    3.39    8       28.1        6.6
  179   4   6   1 39.105  78.21    0.409    3.37    8       29.3        7.2
  180   6   2   1 39.112  78.224   0.409    3.37    8       25.6        5.5
  181   1   6   4 39.198  78.396   0.41     3.36    8       39.0       12.6
  182   0   7   3 39.226  78.451   0.41     3.36    4       63.1       16.5
  183   5   3   3 39.234  78.468   0.411    3.36    8       34.4        9.8
  184   1   2   6 39.329  78.657   0.411    3.34    8       42.4       14.8
  185   3   3   5 39.333  78.666   0.411    3.34    8       13.6        1.5
  186   0   8   0 39.388  78.775   0.412    3.34    2        8.1        0.1
  187   6   0   2 39.426  78.852   0.412    3.33    4       33.9        4.7
  188   2   0   6 39.624  79.247   0.414    3.3     4       66.0       17.8
  189   3   6   3 39.743  79.486   0.415    3.29    8       12.4        1.2
  190   3   7   1 39.764  79.528   0.415    3.28    8       28.6        6.6
  191   6   1   2 39.793  79.586   0.415    3.28    8       25.8        5.4
  192   1   7   3 39.814  79.627   0.416    3.28    8       24.5        4.9
  193   4   5   3 39.819  79.637   0.416    3.28    8       46.2       17.3
  194   3   5   4 39.862  79.723   0.416    3.27    8       31.2        7.9
  195   0   5   5 39.917  79.834   0.417    3.27    4       30.4        3.7
  196   1   8   0 39.975  79.95    0.417    3.26    4       30.2        3.7
  197   0   8   1 39.981  79.962   0.417    3.26    4       57.7       13.4
  198   2   1   6 39.99   79.98    0.417    3.26    8       12.0        1.2
  199   5   5   1 40.355  80.71    0.42     3.21    8       30.2        7.2
  200   5   1   4 40.452  80.905   0.421    3.2     8       51.0       20.6
  201   1   5   5 40.502  81.005   0.422    3.19    8       19.8        3.1
  202   4   1   5 40.508  81.015   0.422    3.19    8       24.8        4.9
  203   1   8   1 40.566  81.132   0.422    3.19    8       27.7        6.0
  204   0   3   6 40.573  81.147   0.422    3.19    4       19.0        1.4
  205   4   4   4 40.668  81.336   0.423    3.17    8       27.2        5.8
  206   4   6   2 40.882  81.764   0.425    3.15    8       19.6        3.0
  207   6   2   2 40.889  81.778   0.425    3.15    8       39.3       12.0
  208   6   3   1 40.942  81.885   0.425    3.14    8       36.1       10.1
  209   2   6   4 40.956  81.911   0.425    3.14    8        5.6        0.2
  210   2   2   6 41.085  82.17    0.427    3.13    8       38.1       11.2
  211   1   3   6 41.157  82.313   0.427    3.12    8       36.8       10.4
  212   3   7   2 41.534  83.069   0.43     3.08    8       20.7        3.3
  213   5   2   4 41.544  83.089   0.43     3.08    8       28.6        6.2
  214   2   7   3 41.565  83.13    0.431    3.08    8       30.6        7.1
  215   4   2   5 41.599  83.199   0.431    3.08    8        5.9        0.3
  216   2   8   0 41.725  83.449   0.432    3.06    4       50.7        9.7
  217   0   8   2 41.749  83.498   0.432    3.06    4       29.1        3.2
  218   5   4   3 41.79   83.579   0.433    3.06    8       22.0        3.7
  219   3   4   5 41.887  83.775   0.433    3.05    8        6.4        0.3
  220   5   5   2 42.12   84.24    0.435    3.03    8        9.1        0.6
  221   2   5   5 42.248  84.496   0.436    3.02    8       16.6        2.0
  222   2   8   1 42.311  84.622   0.437    3.01    8       26.5        5.2
  223   1   8   2 42.329  84.659   0.437    3.01    8       20.2        3.0
  224   6   3   2 42.703  85.406   0.44     2.98    8        8.1        0.5
  225   6   1   3 42.735  85.47    0.44     2.97    8       35.2        9.1
  226   6   4   0 42.894  85.788   0.442    2.96    4       37.9        5.3
  227   2   3   6 42.898  85.795   0.442    2.96    8       13.5        1.3
  228   3   1   6 42.899  85.798   0.442    2.96    8       13.4        1.3
  229   0   4   6 43.113  86.226   0.444    2.95    4        4.0        0.1
  230   0   7   4 43.346  86.692   0.446    2.93    4       37.1        5.0
  231   5   3   4 43.354  86.709   0.446    2.93    8       43.8       13.8
  232   4   3   5 43.409  86.818   0.446    2.92    8       48.1       16.7
  233   6   4   1 43.479  86.957   0.447    2.92    8       31.0        6.9
  234   1   4   6 43.691  87.382   0.448    2.9     8        9.8        0.7
  235   5   6   0 43.757  87.514   0.449    2.9     4       40.8        6.0
  236   4   6   3 43.812  87.624   0.449    2.9     8       20.6        3.0
  237   6   2   3 43.819  87.637   0.449    2.9     8        5.6        0.2
  238   4   7   1 43.833  87.666   0.45     2.9     8       12.9        1.2
  239   3   6   4 43.854  87.709   0.45     2.89    8       25.4        4.6
  240   0   6   5 43.909  87.818   0.45     2.89    4        0.7        0.0
  241   1   7   4 43.924  87.848   0.45     2.89    8       13.8        1.4
  242   4   5   4 43.929  87.858   0.45     2.89    8       27.8        5.5
  243   3   2   6 43.982  87.965   0.451    2.89    8       13.9        1.4
  244   2   8   2 44.064  88.129   0.451    2.88    8       33.2        7.9
  245   5   6   1 44.341  88.681   0.454    2.86    8       45.6       14.7
  246   3   7   3 44.459  88.917   0.455    2.86    8       21.4        3.2
  247   1   6   5 44.486  88.973   0.455    2.86    8        8.7        0.5
  248   3   8   0 44.617  89.235   0.456    2.85    4       46.0        7.4
  249   0   8   3 44.672  89.344   0.456    2.85    4        4.4        0.1


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (angs.):

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

    1   0   1   1   7.373  14.747  6.00206      113.8     18.1     18.2     5.6
    2   1   0   1   8.181  16.363  5.41285      409.7     65.2     65.6     5.6
    3   1   1   1   9.376  18.753  4.72799      257.8     41.1     41.2     5.6
    4   1   2   0  10.82   21.64   4.10331      578.5     92.1     92.2     5.6
    5   2   0   0  11.579  23.159  3.8375       627.9    100.0    100.0     5.6
    6   0   0   2  11.641  23.282  3.8175        19.8      3.2      3.2     5.6
    7   1   2   1  12.305  24.61   3.61439      434.6     69.2     69.1     5.6
    8   0   1   2  12.522  25.043  3.55284      187.2     29.8     29.8     5.6
    9   2   1   1  13.783  27.566  3.23315       18.1      2.9      2.9     5.6
   10   1   1   2  13.822  27.644  3.22415      218.0     34.7     34.6     5.6
   11   2   2   0  14.824  29.647  3.01072       94.8     15.1     15.0     5.6
   12   0   2   2  14.873  29.745  3.00103      294.0     46.8     46.6     5.6
   13   0   3   1  14.979  29.958  2.98022       58.9      9.4      9.3     5.6
   14   2   2   1  15.963  31.926  2.80082       47.9      7.6      7.6     5.6
   15   1   2   2  15.998  31.995  2.79496       39.9      6.4      6.3     5.6
   16   1   3   1  16.097  32.194  2.77813       19.7      3.1      3.1     5.6
   17   2   0   2  16.536  33.071  2.70642       11.1      1.8      1.8     5.6
   18   2   1   2  17.185  34.37   2.60707      116.1     18.5     18.3     5.7
   19   0   3   2  18.179  36.359  2.46891        7.8      1.2      1.2     5.7
   20   0   1   3  18.233  36.466  2.46186       18.7      3.0      2.9     5.7
   21   3   0   1  18.514  37.028  2.42577      169.2     27.0     26.6     5.7
   22   1   0   3  18.595  37.189  2.41565       20.1      3.2      3.2     5.7
   23   2   2   2  19.016  38.033  2.36399       52.9      8.4      8.3     5.7
   24   2   3   1  19.102  38.204  2.35378      189.9     30.3     29.9     5.7
   25   1   3   2  19.131  38.263  2.3503        36.7      5.8      5.8     5.7
   26   1   1   3  19.183  38.366  2.34422       26.0      4.1      4.1     5.7
   27   1   4   0  19.437  38.875  2.31471       13.0      2.1      2.0     5.7
   28   3   2   0  19.897  39.793  2.26338       12.6      2.0      2.0     5.7
   29   0   2   3  19.982  39.963  2.25413       23.1      3.7      3.6     5.7
   30   1   4   1  20.349  40.697  2.21515       75.3     12.0     11.8     5.7
   31   1   2   3  20.864  41.728  2.16278       31.6      5.0      5.0     5.7
   32   3   1   2  21.779  43.558  2.07609      193.3     30.8     30.2     5.7
   33   2   4   0  22.052  44.103  2.05165       20.4      3.2      3.2     5.7
   34   0   3   3  22.644  45.288  2.00069       29.2      4.7      4.6     5.7
   35   2   4   1  22.878  45.755  1.98136       98.5     15.7     15.4     5.7
   36   3   2   2  23.306  46.612  1.94691       37.5      6.0      5.8     5.7
   37   2   2   3  23.348  46.696  1.94362       14.8      2.4      2.3     5.7
   38   3   3   1  23.379  46.758  1.94119       22.9      3.7      3.6     5.7
   39   1   3   3  23.445  46.891  1.93599      149.7     23.8     23.3     5.7
   40   4   0   0  23.669  47.338  1.91875       41.4      6.6      6.5     5.7
   41   1   5   1  24.92   49.841  1.82808        9.6      1.5      1.5     5.7
   42   1   1   4  25.046  50.092  1.81952       46.8      7.4      7.3     5.7
   43   2   4   2  25.228  50.457  1.8072         7.6      1.2      1.2     5.8
   44   4   2   0  25.573  51.146  1.78447       10.5      1.7      1.6     5.8
   45   2   3   3  25.734  51.468  1.77406       95.3     15.2     14.8     5.8
   46   0   5   2  26.422  52.844  1.73105       13.8      2.2      2.1     5.8
   47   4   0   2  26.699  53.398  1.71438       19.5      3.1      3.0     5.8
   48   2   0   4  26.79   53.579  1.70902       10.2      1.6      1.6     5.8
   49   1   5   2  27.139  54.279  1.68863       44.0      7.0      6.8     5.8
   50   2   1   4  27.235  54.47   1.68315       25.9      4.1      4.0     5.8
   51   0   3   4  27.936  55.872  1.64419       16.1      2.6      2.5     5.8
   52   4   2   2  28.456  56.913  1.61658       57.7      9.2      8.9     5.8
   53   4   3   1  28.519  57.039  1.6133        68.5     10.9     10.5     5.8
   54   1   3   4  28.628  57.255  1.60771        9.8      1.6      1.5     5.8
   55   3   4   2  28.796  57.593  1.59909        9.4      1.5      1.4     5.8
   56   2   4   3  28.832  57.665  1.59727        6.8      1.1      1.0     5.8
   57   2   5   2  29.219  58.439  1.57794       20.3      3.2      3.1     5.8
   58   3   3   3  29.259  58.518  1.576         54.9      8.7      8.4     5.8
   59   1   6   1  29.785  59.569  1.55066       18.9      3.0      2.9     5.8
   60   0   5   3  29.927  59.854  1.54397       39.4      6.3      6.0     5.8
   61   3   5   1  30.535  61.069  1.51612       27.9      4.4      4.3     5.8
   62   1   5   3  30.59   61.18   1.51364       77.3     12.3     11.8     5.8
   63   3   1   4  30.644  61.288  1.51123       40.0      6.4      6.1     5.8
   64   0   1   5  30.706  61.413  1.50847       16.6      2.7      2.5     5.8
   65   4   4   0  30.777  61.553  1.50536       61.7      9.8      9.4     5.8
   66   1   0   5  30.952  61.905  1.49765        8.6      1.4      1.3     5.8
   67   0   6   2  31.126  62.253  1.49011       22.6      3.6      3.4     5.8
   68   5   1   1  31.196  62.391  1.48714       31.9      5.1      4.9     5.8
   69   1   1   5  31.36   62.719  1.48015       29.1      4.6      4.4     5.8
   70   4   4   1  31.436  62.872  1.47693       44.8      7.1      6.8     5.9
   71   1   4   4  31.538  63.076  1.47263       10.8      1.7      1.6     5.9
   72   1   6   2  31.775  63.55   1.46279       39.7      6.3      6.1     5.9
   73   3   2   4  31.863  63.727  1.45915       17.2      2.7      2.6     5.9
   74   0   2   5  31.924  63.848  1.45666       11.0      1.8      1.7     5.9
   75   5   2   1  32.403  64.806  1.43743       19.0      3.0      2.9     5.9
   76   2   5   3  32.531  65.063  1.43238       38.4      6.1      5.8     5.9
   77   1   2   5  32.564  65.127  1.43112       19.0      3.0      2.9     5.9
   78   5   1   2  33.137  66.274  1.40911       25.2      4.0      3.8     5.9
   79   4   3   3  33.795  67.591  1.38482       19.2      3.1      2.9     5.9
   80   3   6   0  34.275  68.55   1.36777        6.6      1.0      1.0     5.9
   81   5   2   2  34.308  68.616  1.36661       26.3      4.2      4.0     5.9
   82   0   7   1  34.356  68.712  1.36494       26.8      4.3      4.0     5.9
   83   2   2   5  34.445  68.89   1.36185       10.2      1.6      1.5     5.9
   84   4   0   4  34.696  69.392  1.35321       27.4      4.4      4.1     5.9
   85   3   6   1  34.899  69.798  1.34634       13.2      2.1      2.0     5.9
   86   1   6   3  34.951  69.901  1.3446         8.2      1.3      1.2     5.9
   87   4   1   4  35.08   70.161  1.34026       29.9      4.8      4.5     5.9
   88   0   7   2  36.212  72.423  1.30386       31.7      5.0      4.8     5.9
   89   3   1   5  36.356  72.711  1.29941       21.5      3.4      3.2     6.0
   90   3   4   4  36.522  73.043  1.29431        7.0      1.1      1.1     6.0
   91   3   6   2  36.743  73.485  1.28762       11.2      1.8      1.7     6.0
   92   2   7   1  36.796  73.592  1.28601       31.3      5.0      4.7     6.0
   93   6   0   0  37.026  74.051  1.27917       19.3      3.1      2.9     6.0
   94   0   0   6  37.252  74.505  1.2725        23.6      3.8      3.5     6.0
   95   2   7   2  38.604  77.208  1.23455        7.0      1.1      1.0     6.0
   96   2   4   5  38.963  77.927  1.22496        6.6      1.1      1.0     6.0
   97   4   6   1  39.105  78.21   1.22122       12.6      2.0      1.9     6.0
   98   0   7   3  39.226  78.451  1.21807       38.9      6.2      5.8     6.0
   99   1   2   6  39.329  78.657  1.2154        16.4      2.6      2.4     6.0
  100   2   0   6  39.624  79.247  1.20783       17.8      2.8      2.6     6.0
  101   3   7   1  39.764  79.528  1.20426        7.9      1.3      1.2     6.0
  102   4   5   3  39.819  79.637  1.20289       27.5      4.4      4.1     6.0
  103   3   5   4  39.862  79.723  1.2018         7.9      1.3      1.2     6.0
  104   0   8   1  39.981  79.962  1.19882       18.2      2.9      2.7     6.0
  105   5   5   1  40.355  80.71   1.18958        7.2      1.2      1.1     6.1
  106   5   1   4  40.452  80.905  1.18721       20.6      3.3      3.0     6.1
  107   4   1   5  40.508  81.015  1.18587        7.9      1.3      1.2     6.1
  108   1   8   1  40.566  81.132  1.18446        7.4      1.2      1.1     6.1
  109   6   2   2  40.889  81.778  1.17673       15.0      2.4      2.2     6.1
  110   6   3   1  40.942  81.885  1.17546       10.4      1.6      1.5     6.1
  111   2   2   6  41.085  82.17   1.17211       11.2      1.8      1.7     6.1
  112   1   3   6  41.157  82.313  1.17043       10.4      1.7      1.5     6.1
  113   5   2   4  41.544  83.089  1.16146       16.6      2.6      2.4     6.1
  114   2   8   0  41.725  83.449  1.15735       12.9      2.1      1.9     6.1
  115   2   8   1  42.311  84.622  1.14428        8.2      1.3      1.2     6.1
  116   6   1   3  42.735  85.47   1.13509        9.1      1.5      1.3     6.1
  117   6   4   0  42.894  85.788  1.13169        7.9      1.3      1.2     6.1
  118   5   3   4  43.354  86.709  1.12203       18.8      3.0      2.7     6.1
  119   4   3   5  43.409  86.818  1.12089       16.7      2.7      2.4     6.1
  120   6   4   1  43.479  86.957  1.11946        6.9      1.1      1.0     6.1
  121   4   5   4  43.929  87.858  1.11029        6.9      1.1      1.0     6.2
  122   2   8   2  44.064  88.129  1.10757        7.9      1.3      1.1     6.2
  123   5   6   1  44.341  88.681  1.10209       14.7      2.3      2.1     6.2
  124   3   8   0  44.617  89.235  1.09669        7.4      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)