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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METAHEWETTITE

1, f-hewettite

NaCa(0.5)O[V(2)O(5)](3).2H(2)O


Monoclinic  P 2(1)/m  Z = 1

P2(1)/m

25 .4 .1988

Ref.Str.:

         1. Bachmann H.G., Barnes W.H. (1962)

         * Canad. Mineral., 7, 219-235

         2. Bachmann H.G. (1962)

         * Beitr. Mineral. Petrogr., 8, 210-214

                   Initial data from BDM-file 

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

             a =  12.26     alpha =   90.0 
             b =   3.58     beta  =   92.5 
             c =   8.11     gamma =   90.0 

    Unit cell volume (cub. angs.) =   355.62

    Molar volume ( cub.cm/mol.) =   214.2 

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

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

   1 0.067   0.25    0.17     0.0    V     = 1.00
   2 0.822   0.25    0.127    0.0    V     = 1.00
   3 0.54    0.25    0.83     0.0    V     = 1.00
   4 0.303   0.25    0.44     0.0    Na    = 0.5 , Ca    = 0.25
   5 0.907   0.25    0.869    0.0    O     = 1.00
   6 0.14    0.25    0.892    0.0    O     = 1.00
   7 0.475   0.25    0.115    0.0    O     = 1.00
   8 0.956   0.25    0.282    0.0    O     = 1.00
   9 0.214   0.25    0.173    0.0    O     = 1.00
  10 0.682   0.25    0.045    0.0    O     = 1.00
  11 0.651   0.25    0.725    0.0    O     = 1.00
  12 0.436   0.25    0.67     0.0    O     = 1.00
  13 0.708   0.25    0.36     0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.067      0.25       0.17  
     2       2     0.822      0.25       0.127 
     3       3     0.54       0.25       0.83  
     4       4     0.303      0.25       0.44  
     5       5     0.907      0.25       0.869 
     6       6     0.14       0.25       0.892 
     7       7     0.475      0.25       0.115 
     8       8     0.956      0.25       0.282 
     9       9     0.214      0.25       0.173 
    10      10     0.682      0.25       0.045 
    11      11     0.651      0.25       0.725 
    12      12     0.436      0.25       0.67  
    13      13     0.708      0.25       0.36  
    14       1     0.933      0.75       0.83  
    15       2     0.178      0.75       0.873 
    16       3     0.46       0.75       0.17  
    17       4     0.697      0.75       0.56  
    18       5     0.093      0.75       0.131 
    19       6     0.86       0.75       0.108 
    20       7     0.525      0.75       0.885 
    21       8     0.044      0.75       0.718 
    22       9     0.786      0.75       0.827 
    23      10     0.318      0.75       0.955 
    24      11     0.349      0.75       0.275 
    25      12     0.564      0.75       0.33  
    26      13     0.292      0.75       0.64  


X-ray density (g/cm cub.)   =      2.97

MU (1/cm) =     366.275    Mass attenuation coefficient (cm**2/g) =    123.246

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

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

    1    V                   2.496        5
                                                 2.4617       6
                                                 1.6688       8
                                                 1.8013       9
                                                 1.8478       5
                                                 1.8478       5
    2    V                   2.496        6
                                                 2.3779       5
                                                 2.0246       8
                                                 1.8135      10
                                                 2.3989      13
                                                 1.8577       6
                                                 1.8577       6
    3    V                   2.496        6
                                                 2.4775       7
                                                 2.4096      10
                                                 1.6365      11
                                                 1.7791      12
                                                 1.8558       7
                                                 1.8558       7
    4   Na   ,Ca             2.88         6
                                                 2.3819       9
                                                 2.4234      12
                                                 2.3192      11
                                                 2.3192      11
                                                 2.4233      13
                                                 2.4233      13
    5    O                   3.264        8
                                                 2.8545       6
                                                 3.1607      10
                                                 2.7186       6
                                                 2.7186       6
                                                 2.7757       8
                                                 2.7757       8
                                                 2.3402       9
                                                 2.3402       9
    6    O                   3.264        8
                                                 2.8545       5
                                                 2.4158       9
                                                 2.7186       5
                                                 2.7186       5
                                                 2.5369       8
                                                 2.5369       8
                                                 2.8514      10
                                                 2.8514      10
    7    O                   3.264       10
                                                 3.2545       9
                                                 2.6246      10
                                                 2.6756       7
                                                 2.6756       7
                                                 2.8939      10
                                                 2.8939      10
                                                 2.7293      11
                                                 2.7293      11
                                                 2.6961      12
                                                 2.6961      12
    8    O                   3.264        5
                                                 3.1325      13
                                                 2.7757       5
                                                 2.7757       5
                                                 2.5369       6
                                                 2.5369       6
    9    O                   3.264        8
                                                 2.4158       6
                                                 3.2545       7
                                                 2.3402       5
                                                 2.3402       5
                                                 2.8552      10
                                                 2.8552      10
                                                 2.5511      11
                                                 2.5511      11
   10    O                   3.264       10
                                                 3.1607       5
                                                 2.6246       7
                                                 2.6064      11
                                                 2.5606      13
                                                 2.8514       6
                                                 2.8514       6
                                                 2.8939       7
                                                 2.8939       7
                                                 2.8552       9
                                                 2.8552       9
   11    O                   3.264        7
                                                 2.6064      10
                                                 2.6541      12
                                                 3.071       13
                                                 2.7293       7
                                                 2.7293       7
                                                 2.5511       9
                                                 2.5511       9
   12    O                   3.264        5
                                                 2.6541      11
                                                 2.6961       7
                                                 2.6961       7
                                                 2.5185      13
                                                 2.5185      13
   13    O                   3.264        5
                                                 3.1325       8
                                                 2.5606      10
                                                 3.071       11
                                                 2.5185      12
                                                 2.5185      12

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

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

    1   1   0   0  3.606   7.211   0.041  502.7     2        0.6        0.3
    2   0   0   1  5.455  10.911   0.062  218.31    2       75.3     1957.0
    3   1   0  -1  6.412  12.824   0.072  157.4     2       29.9      221.9
    4   1   0   1  6.676  13.352   0.075  145.02    2       18.5       78.3
    5   2   0   0  7.226  14.451   0.082  123.47    2       17.0       56.7
    6   2   0  -1  8.877  17.755   0.1     81.05    2        7.3        6.9
    7   2   0   1  9.261  18.523   0.104   74.29    2       38.1      170.4
    8   3   0   0 10.875  21.75    0.122   53.29    2       27.3       62.9
    9   0   0   2 10.961  21.922   0.123   52.42    2       52.6      229.7
   10   1   0  -2 11.399  22.799   0.128   48.31    2       11.9       10.7
   11   1   0   2 11.704  23.408   0.132   45.72    2        4.0        1.2
   12   3   0  -1 11.978  23.955   0.135   43.56    2       21.2       30.9
   13   3   0   1 12.412  24.824   0.14    40.42    2      103.5      685.0
   14   2   0  -2 12.906  25.812   0.145   37.23    2       59.7      209.6
   15   1   1   0 12.954  25.907   0.146   36.94    4       24.2       68.5
   16   2   0   2 13.445  26.889   0.151   34.15    2       31.7       54.2
   17   0   1   1 13.605  27.21    0.153   33.3     4       34.4      124.7
   18   1   1  -1 14.029  28.059   0.157   31.2     4       95.3      896.9
   19   1   1   1 14.156  28.312   0.159   30.61    4       42.9      177.9
   20   2   1   0 14.432  28.864   0.162   29.37    4       18.5       31.8
   21   4   0   0 14.57   29.139   0.163   28.78    2        7.2        2.4
   22   3   0  -2 15.186  30.372   0.17    26.34    2       78.3      255.6
   23   2   1  -1 15.354  30.708   0.172   25.73    4       53.9      236.5
   24   4   0  -1 15.368  30.735   0.172   25.68    2       13.4        7.3
   25   2   1   1 15.587  31.173   0.174   24.91    4       12.0       11.3
   26   4   0   1 15.829  31.658   0.177   24.09    2       35.1       46.9
   27   3   0   2 15.881  31.762   0.178   23.92    2       55.6      116.9
   28   0   0   3 16.571  33.143   0.185   21.82    2       84.8      248.0
   29   3   1   0 16.628  33.257   0.186   21.66    4        7.3        3.7
   30   0   1   2 16.687  33.373   0.186   21.49    4       22.6       34.7
   31   1   0  -3 16.82   33.64    0.188   21.12    2       56.6      107.1
   32   1   1  -2 16.988  33.975   0.19    20.67    4       18.5       22.3
   33   1   0   3 17.141  34.282   0.191   20.27    2        3.2        0.3
   34   1   1   2 17.2    34.4     0.192   20.12    4       34.3       75.1
   35   3   1  -1 17.394  34.787   0.194   19.64    4        7.7        3.6
   36   3   1   1 17.706  35.411   0.197   18.89    4       23.9       34.2
   37   2   0  -3 17.857  35.715   0.199   18.54    2       39.1       44.8
   38   4   0  -2 17.977  35.955   0.2     18.27    2       11.2        3.6
   39   2   1  -2 18.067  36.134   0.201   18.07    4       12.3        8.7
   40   5   0   0 18.327  36.654   0.204   17.51    2       43.1       51.4
   41   2   0   3 18.463  36.926   0.206   17.23    2       18.9        9.7
   42   2   1   2 18.469  36.937   0.206   17.22    4       30.6       50.8
   43   4   0   2 18.777  37.553   0.209   16.6     2       25.0       16.4
   44   5   0  -1 18.936  37.871   0.211   16.3     2       52.9       72.0
   45   4   1   0 19.331  38.661   0.215   15.57    4       27.8       37.9
   46   5   0   1 19.417  38.835   0.216   15.42    2       46.7       53.2
   47   3   0  -3 19.574  39.149   0.217   15.14    2       77.1      142.3
   48   3   1  -2 19.815  39.63    0.22    14.74    4       23.4       25.5
   49   4   1  -1 19.96   39.919   0.222   14.5     4        2.4        0.3
   50   4   1   1 20.329  40.659   0.226   13.92    4       39.6       69.1
   51   3   1   2 20.371  40.742   0.226   13.86    4       18.0       14.2
   52   3   0   3 20.411  40.823   0.226   13.8     2       54.0       63.7
   53   0   1   3 20.932  41.865   0.232   13.04    4       39.8       65.3
   54   5   0  -2 21.118  42.236   0.234   12.78    2       95.8      185.6
   55   1   1  -3 21.137  42.273   0.234   12.76    4       20.2       16.5
   56   1   1   3 21.402  42.804   0.237   12.41    4       53.6      112.7
   57   4   0  -3 21.837  43.675   0.241   11.86    2       17.9        6.0
   58   5   0   2 21.993  43.986   0.243   11.67    2      120.2      266.8
   59   2   1  -3 22.0    44.0     0.243   11.66    4       21.0       16.3
   60   4   1  -2 22.101  44.202   0.244   11.54    4        3.1        0.4
   61   6   0   0 22.168  44.337   0.245   11.46    2       18.8        6.4
   62   0   0   4 22.351  44.702   0.247   11.25    2       80.1      114.2
   63   5   1   0 22.396  44.793   0.247   11.2     4       26.4       24.7
   64   1   0  -4 22.503  45.005   0.248   11.08    2       65.9       76.2
   65   2   1   3 22.511  45.023   0.249   11.07    4       44.3       68.6
   66   6   0  -1 22.649  45.298   0.25    10.92    2        5.6        0.5
   67   4   1   2 22.778  45.557   0.251   10.78    4       11.1        4.2
   68   1   0   4 22.839  45.678   0.252   10.72    2       42.9       31.2
   69   4   0   3 22.857  45.714   0.252   10.7     2       33.6       19.1
   70   5   1  -1 22.915  45.829   0.253   10.64    4        7.4        1.8
   71   6   0   1 23.149  46.298   0.255   10.4     2       22.0        7.9
   72   2   0  -4 23.284  46.569   0.257   10.26    2        5.6        0.5
   73   5   1   1 23.328  46.657   0.257   10.22    4       20.9       14.1
   74   3   1  -3 23.464  46.928   0.258   10.08    4        7.9        2.0
   75   2   0   4 23.936  47.872   0.263    9.64    2        3.0        0.1
   76   3   1   3 24.192  48.383   0.266    9.41    4       15.8        7.4
   77   6   0  -2 24.523  49.046   0.269    9.12    2        3.6        0.2
   78   5   0  -3 24.532  49.064   0.27     9.11    2       49.2       34.9
   79   3   0  -4 24.65   49.299   0.271    9.02    2       25.9        9.6
   80   5   1  -2 24.812  49.625   0.272    8.88    4       49.0       67.4
   81   4   1  -3 25.45   50.9     0.279    8.38    4       97.7      253.0
   82   6   0   2 25.46   50.919   0.279    8.38    2       40.1       21.3
   83   0   2   0 25.488  50.976   0.279    8.35    2      178.5      420.9
   84   3   0   4 25.583  51.166   0.28     8.28    2       98.5      127.2
   85   5   1   2 25.588  51.176   0.28     8.28    4       41.5       45.1
   86   5   0   3 25.699  51.397   0.281    8.2     2       30.6       12.1
   87   6   1   0 25.745  51.49    0.282    8.17    4       11.8        3.6
   88   1   2   0 25.779  51.557   0.282    8.14    4        1.9        0.1
   89   0   1   4 25.908  51.816   0.284    8.05    4       18.8        9.0
   90   1   1  -4 26.044  52.088   0.285    7.95    4       51.3       66.3
   91   7   0   0 26.118  52.236   0.286    7.9     2       14.3        2.6
   92   0   2   1 26.149  52.297   0.286    7.88    4       52.9       69.8
   93   6   1  -1 26.175  52.35    0.286    7.86    4       20.6       10.5
   94   1   1   4 26.346  52.692   0.288    7.75    4       23.0       12.9
   95   4   1   3 26.362  52.725   0.288    7.74    4       81.3      161.6
   96   1   2  -1 26.396  52.793   0.289    7.71    4       19.9        9.7
   97   1   2   1 26.471  52.943   0.289    7.66    4       13.0        4.1
   98   7   0  -1 26.506  53.013   0.29     7.64    2       27.5        9.1
   99   4   0  -4 26.532  53.065   0.29     7.62    2       18.6        4.2
  100   6   1   1 26.625  53.251   0.291    7.56    4       27.1       17.5
  101   2   2   0 26.637  53.273   0.291    7.56    4       15.0        5.4
  102   2   1  -4 26.747  53.495   0.292    7.49    4        7.7        1.4
  103   7   0   1 27.027  54.053   0.295    7.31    2       30.1       10.5
  104   2   2  -1 27.204  54.408   0.297    7.2     4        5.3        0.6
  105   2   1   4 27.338  54.676   0.298    7.12    4       33.1       24.7
  106   2   2   1 27.351  54.701   0.298    7.11    4       29.2       19.2
  107   6   0  -3 27.578  55.157   0.301    6.98    2        5.9        0.4
  108   4   0   4 27.711  55.422   0.302    6.91    2       16.6        3.0
  109   6   1  -2 27.873  55.746   0.303    6.82    4       29.9       19.2
  110   5   1  -3 27.881  55.763   0.304    6.81    4        1.7        0.1
  111   3   1  -4 27.989  55.978   0.305    6.75    4        1.9        0.1
  112   3   2   0 28.026  56.051   0.305    6.73    4       24.4       12.7
  113   0   2   2 28.064  56.128   0.305    6.71    4       37.2       29.4
  114   7   0  -2 28.155  56.309   0.306    6.66    2       27.5        8.0
  115   1   2  -2 28.265  56.529   0.307    6.6     4       11.5        2.8
  116   0   0   5 28.382  56.764   0.309    6.54    2        9.7        1.0
  117   1   2   2 28.408  56.815   0.309    6.53    4        1.3        0.0
  118   1   0  -5 28.474  56.948   0.309    6.49    2        2.4        0.1
  119   3   2  -1 28.539  57.077   0.31     6.46    4        9.8        2.0
  120   6   1   2 28.732  57.464   0.312    6.36    4       13.1        3.5
  121   3   2   1 28.752  57.504   0.312    6.35    4       80.7      130.8
  122   1   0   5 28.829  57.659   0.313    6.31    2       23.4        5.4
  123   3   1   4 28.846  57.691   0.313    6.31    4       37.6       28.2
  124   5   0  -4 28.866  57.731   0.313    6.3     2       52.1       27.0
  125   6   0   3 28.869  57.739   0.313    6.29    2       14.2        2.0
  126   5   1   3 28.952  57.905   0.314    6.25    4        9.4        1.8
  127   2   2  -2 29.002  58.003   0.315    6.23    4       45.7       41.2
  128   2   0  -5 29.103  58.205   0.316    6.18    2        2.3        0.1
  129   7   0   2 29.149  58.298   0.316    6.16    2       31.7        9.8
  130   2   2   2 29.283  58.565   0.317    6.1     4       23.1       10.2
  131   7   1   0 29.34   58.68    0.318    6.07    4       44.1       37.3
  132   7   1  -1 29.7    59.399   0.322    5.91    4        3.3        0.2
  133   4   1  -4 29.724  59.448   0.322    5.89    4       52.5       51.4
  134   2   0   5 29.801  59.601   0.323    5.86    2       23.2        5.0
  135   4   2   0 29.898  59.796   0.324    5.82    4        6.2        0.7
  136   7   1   1 30.183  60.367   0.326    5.7     4       62.7       70.9
  137   8   0   0 30.206  60.412   0.327    5.69    2       86.9       67.9
  138   3   0  -5 30.246  60.492   0.327    5.67    2       27.8        6.9
  139   3   2  -2 30.251  60.501   0.327    5.67    4       62.2       69.3
  140   5   0   4 30.258  60.517   0.327    5.66    2       58.8       30.9
  141   4   2  -1 30.357  60.713   0.328    5.62    4       14.1        3.5
  142   8   0  -1 30.525  61.051   0.33     5.55    2       89.6       70.5
  143   4   2   1 30.63   61.26    0.331    5.51    4       27.9       13.6
  144   3   2   2 30.661  61.322   0.331    5.5     4       42.4       31.2
  145   6   1  -3 30.698  61.397   0.331    5.48    4       70.7       86.8
  146   4   1   4 30.822  61.645   0.333    5.44    4       14.5        3.6
  147   7   0  -3 30.93   61.86    0.334    5.39    2       22.7        4.4
  148   8   0   1 31.069  62.138   0.335    5.34    2       50.6       21.7
  149   0   2   3 31.082  62.163   0.335    5.34    4       70.4       83.7
  150   1   2  -3 31.236  62.473   0.337    5.28    4       39.0       25.4
  151   7   1  -2 31.238  62.476   0.337    5.28    4       64.4       69.2
  152   3   0   5 31.266  62.532   0.337    5.27    2       64.0       34.1
  153   1   2   3 31.438  62.876   0.339    5.2     4        2.9        0.1
  154   0   1   5 31.451  62.903   0.339    5.2     4        3.9        0.2
  155   1   1  -5 31.538  63.076   0.34     5.17    4       65.8       70.8
  156   6   0  -4 31.594  63.189   0.34     5.15    2       18.0        2.6
  157   4   0  -5 31.872  63.743   0.343    5.05    2        4.0        0.1
  158   1   1   5 31.872  63.745   0.343    5.05    4       20.2        6.5
  159   2   2  -3 31.898  63.796   0.343    5.04    4       34.5       19.0
  160   5   1  -4 31.906  63.813   0.343    5.04    4       10.4        1.7
  161   6   1   3 31.91   63.82    0.343    5.04    4        3.7        0.2
  162   4   2  -2 31.976  63.952   0.344    5.01    4       11.2        2.0
  163   8   0  -2 32.007  64.014   0.344    5.0     2       37.2       11.0
  164   2   1  -5 32.13   64.26    0.345    4.96    4       12.6        2.5
  165   7   1   2 32.174  64.347   0.346    4.95    4       24.7        9.5
  166   5   2   0 32.206  64.412   0.346    4.94    4       29.7       13.7
  167   2   2   3 32.296  64.592   0.347    4.91    4       13.4        2.8
  168   7   0   3 32.335  64.671   0.347    4.89    2       46.2       16.5
  169   4   2   2 32.506  65.012   0.349    4.84    4       21.6        7.2
  170   5   2  -1 32.613  65.226   0.35     4.8     4       47.3       34.1
  171   2   1   5 32.79   65.58    0.352    4.75    4       54.2       44.2
  172   5   2   1 32.941  65.883   0.353    4.7     4       38.5       22.0
  173   3   2  -3 33.05   66.099   0.354    4.67    4       54.7       44.3
  174   8   0   2 33.062  66.123   0.354    4.67    2       66.4       32.6
  175   8   1   0 33.174  66.348   0.355    4.63    4        6.8        0.7
  176   6   0   4 33.18   66.36    0.355    4.63    2       29.2        6.2
  177   4   0   5 33.19   66.38    0.355    4.63    2       36.6        9.8
  178   3   1  -5 33.212  66.424   0.356    4.62    4       11.5        1.9
  179   5   1   4 33.224  66.448   0.356    4.62    4       13.5        2.7
  180   8   1  -1 33.478  66.956   0.358    4.54    4       40.0       23.0
  181   3   2   3 33.635  67.271   0.36     4.5     4       41.1       24.1
  182   7   1  -3 33.863  67.726   0.362    4.44    4       13.2        2.4
  183   5   0  -5 33.944  67.888   0.362    4.41    2       74.1       38.4
  184   8   1   1 33.995  67.991   0.363    4.4     4       37.8       19.9
  185   5   2  -2 34.142  68.283   0.364    4.36    4       74.6       76.8
  186   3   1   5 34.183  68.367   0.365    4.35    4        4.4        0.3
  187   9   0   0 34.472  68.943   0.367    4.28    2       12.7        1.1
  188   6   1  -4 34.497  68.994   0.368    4.27    4       31.2       13.2
  189   8   0  -3 34.569  69.138   0.368    4.25    2       32.4        7.1
  190   4   2  -3 34.667  69.334   0.369    4.23    4       15.0        3.0
  191   7   0  -4 34.683  69.366   0.369    4.22    2       45.4       13.8
  192   9   0  -1 34.738  69.476   0.37     4.21    2        6.8        0.3
  193   4   1  -5 34.762  69.525   0.37     4.2     4       18.3        4.4
  194   0   0   6 34.779  69.559   0.37     4.2     2       47.8       15.1
  195   5   2   2 34.782  69.564   0.37     4.2     4       89.6      106.5
  196   1   0  -6 34.83   69.66    0.371    4.19    2        0.7        0.0
  197   8   1  -2 34.892  69.784   0.371    4.17    4       33.1       14.4
  198   6   2   0 34.913  69.825   0.372    4.17    4       14.0        2.6
  199   0   2   4 35.049  70.098   0.373    4.13    4       61.9       50.1
  200   1   2  -4 35.163  70.325   0.374    4.11    4       50.0       32.5
  201   7   1   3 35.207  70.414   0.374    4.1     4       23.2        6.9
  202   1   0   6 35.211  70.423   0.374    4.09    2        5.3        0.2
  203   6   2  -1 35.272  70.545   0.375    4.08    4        1.1        0.0
  204   9   0   1 35.31   70.62    0.375    4.07    2       17.5        2.0
  205   2   0  -6 35.362  70.724   0.376    4.06    2       78.4       39.5
  206   1   2   4 35.416  70.832   0.376    4.05    4       31.0       12.3
  207   4   2   3 35.43   70.86    0.376    4.04    4       27.9       10.0
  208   5   0   5 35.54   71.079   0.377    4.02    2       34.0        7.3
  209   6   2   1 35.652  71.304   0.378    3.99    4       18.7        4.4
  210   2   2  -4 35.755  71.511   0.379    3.97    4        4.0        0.2
  211   8   1   2 35.905  71.809   0.381    3.94    4       33.3       13.8
  212   6   1   4 36.019  72.038   0.382    3.92    4        7.7        0.7
  213   4   1   5 36.028  72.057   0.382    3.91    4       37.3       17.2
  214   8   0   3 36.09   72.179   0.382    3.9     2       41.9       10.8
  215   9   0  -2 36.098  72.196   0.382    3.9     2       12.7        1.0
  216   2   0   6 36.118  72.236   0.383    3.89    2        6.0        0.2
  217   2   2   4 36.258  72.516   0.384    3.87    4        2.3        0.1
  218   3   0  -6 36.366  72.732   0.385    3.84    2       16.0        1.6
  219   6   0  -5 36.432  72.865   0.385    3.83    2       30.0        5.5
  220   7   0   4 36.452  72.904   0.386    3.83    2       37.1        8.3
  221   6   2  -2 36.718  73.435   0.388    3.77    4        2.2        0.1
  222   5   2  -3 36.725  73.45    0.388    3.77    4       36.6       16.0
  223   5   1  -5 36.756  73.511   0.388    3.77    4       14.8        2.6
  224   3   2  -4 36.818  73.635   0.389    3.75    4       17.5        3.6
  225   9   0   2 37.221  74.442   0.393    3.68    2       13.0        1.0
  226   9   1   0 37.266  74.532   0.393    3.67    4       16.2        3.1
  227   8   1  -3 37.36   74.721   0.394    3.65    4       15.3        2.7
  228   6   2   2 37.463  74.926   0.395    3.64    4       31.8       11.6
  229   7   1  -4 37.471  74.941   0.395    3.63    4        4.1        0.2
  230   3   0   6 37.486  74.973   0.395    3.63    2       27.7        4.4
  231   9   1  -1 37.524  75.048   0.395    3.62    4       77.4       68.7
  232   3   2   4 37.562  75.125   0.396    3.62    4       77.8       69.2
  233   0   1   6 37.564  75.128   0.396    3.62    4       13.5        2.1
  234   1   1  -6 37.613  75.226   0.396    3.61    4        1.9        0.0
  235   5   2   3 37.656  75.312   0.397    3.6     4       21.1        5.1
  236   4   0  -6 37.829  75.657   0.398    3.57    2       27.8        4.4
  237   1   1   6 37.983  75.966   0.399    3.55    4        0.1        0.0
  238   7   2   0 37.996  75.992   0.4      3.54    4       11.8        1.6
  239   9   1   1 38.079  76.158   0.4      3.53    4       36.3       14.7
  240   8   0  -4 38.118  76.236   0.401    3.52    2       45.2       11.4
  241   2   1  -6 38.129  76.259   0.401    3.52    4       23.5        6.1
  242   6   0   5 38.292  76.583   0.402    3.5     2       24.0        3.2
  243   5   1   5 38.302  76.604   0.402    3.5     4       33.3       12.3
  244   7   2  -1 38.314  76.627   0.402    3.49    4       20.1        4.5
  245   4   2  -4 38.335  76.67    0.403    3.49    4       14.7        2.4
  246   9   0  -3 38.505  77.011   0.404    3.46    2       14.6        1.2
  247   7   2   1 38.743  77.486   0.406    3.43    4       24.6        6.6
  248   8   1   3 38.838  77.675   0.407    3.41    4       35.9       13.9
  249   9   1  -2 38.846  77.691   0.407    3.41    4       55.1       32.7
  250   2   1   6 38.866  77.731   0.407    3.41    4       24.3        6.4
  251  10   0   0 38.968  77.936   0.408    3.39    2       18.1        1.8
  252   3   1  -6 39.107  78.215   0.409    3.37    4       15.4        2.5
  253   6   1  -5 39.172  78.344   0.41     3.36    4       50.5       27.1
  254   7   1   4 39.191  78.382   0.41     3.36    4       32.3       11.1
  255  10   0  -1 39.192  78.383   0.41     3.36    2       37.6        7.5
  256   6   2  -3 39.203  78.406   0.41     3.36    4        5.7        0.4
  257   4   0   6 39.3    78.6     0.411    3.35    2       57.1       17.3
  258   4   2   4 39.314  78.628   0.411    3.35    4       13.7        2.0
  259   7   0  -5 39.319  78.638   0.411    3.34    2       10.3        0.6
  260   7   2  -2 39.688  79.377   0.415    3.29    4       21.2        4.7
  261   5   0  -6 39.734  79.467   0.415    3.29    2        9.0        0.4
  262  10   0   1 39.801  79.601   0.416    3.28    2        5.3        0.1
  263   0   2   5 39.881  79.762   0.416    3.27    4        5.3        0.3
  264   9   1   2 39.943  79.885   0.417    3.26    4        6.4        0.4
  265   1   2  -5 39.96   79.919   0.417    3.26    4        2.0        0.0
  266   8   0   4 40.072  80.145   0.418    3.25    2       15.1        1.2
  267   9   0   3 40.151  80.303   0.419    3.24    2       13.2        0.9
  268   3   1   6 40.202  80.404   0.419    3.23    4       38.0       14.8
  269   1   2   5 40.263  80.526   0.42     3.22    4       19.3        3.8
  270   5   2  -4 40.294  80.588   0.42     3.22    4       43.7       19.5
  271   6   2   3 40.297  80.595   0.42     3.22    4       11.9        1.4
  272   1   3   0 40.432  80.864   0.421    3.2     4       14.0        2.0
  273  10   0  -2 40.467  80.935   0.421    3.2     2       16.8        1.4
  274   2   2  -5 40.497  80.995   0.422    3.19    4        2.1        0.0
  275   7   2   2 40.537  81.075   0.422    3.19    4       25.3        6.4
  276   4   1  -6 40.538  81.075   0.422    3.19    4       44.1       19.6
  277   0   3   1 40.727  81.453   0.424    3.17    4       21.7        4.7
  278   8   1  -4 40.822  81.643   0.424    3.16    4        8.3        0.7
  279   1   3  -1 40.925  81.851   0.425    3.15    4       63.5       40.1
  280   1   3   1 40.986  81.971   0.426    3.14    4       27.3        7.4
  281   6   1   5 40.992  81.984   0.426    3.14    4       44.6       19.7
  282   2   2   5 41.102  82.203   0.427    3.13    4       19.8        3.9
  283   2   3   0 41.119  82.238   0.427    3.13    4       10.1        1.0
  284   9   1  -3 41.202  82.404   0.428    3.12    4       23.9        5.6
  285   7   0   5 41.439  82.877   0.43     3.09    2        8.7        0.4
  286   8   2   0 41.456  82.911   0.43     3.09    4       70.9       49.1
  287   3   2  -5 41.491  82.982   0.43     3.09    4       23.5        5.4
  288   5   2   4 41.502  83.004   0.43     3.09    4       46.6       21.2
  289   5   0   6 41.548  83.096   0.431    3.08    2        0.5        0.0
  290   2   3  -1 41.581  83.162   0.431    3.08    4       31.6        9.7
  291  10   1   0 41.657  83.315   0.431    3.07    4       21.0        4.3
  292  10   0   2 41.674  83.348   0.432    3.07    2       47.5       11.0
  293   2   3   1 41.701  83.403   0.432    3.07    4        9.0        0.8
  294   0   0   7 41.72   83.439   0.432    3.06    2       50.7       12.5
  295   8   2  -1 41.736  83.473   0.432    3.06    4       72.2       50.5
  296   1   0  -7 41.737  83.474   0.432    3.06    2       43.4        9.1
  297  10   1  -1 41.878  83.755   0.433    3.05    4       19.0        3.5
  298   9   0  -4 41.911  83.822   0.434    3.05    2       34.0        5.6
  299   4   1   6 41.985  83.969   0.434    3.04    4       14.8        2.1
  300   7   1  -5 42.003  84.006   0.434    3.04    4       30.2        8.7
  301   6   0  -6 42.072  84.143   0.435    3.03    2        1.6        0.0
  302   7   2  -3 42.094  84.187   0.435    3.03    4       17.3        2.9
  303   1   0   7 42.158  84.316   0.436    3.02    2       16.6        1.3
  304   2   0  -7 42.21   84.421   0.436    3.02    2       35.9        6.1
  305   8   2   1 42.217  84.434   0.436    3.02    4       38.5       14.1
  306   3   3   0 42.26   84.52    0.437    3.01    4        5.5        0.3
  307   0   3   2 42.292  84.584   0.437    3.01    4       15.9        2.4
  308   3   2   5 42.392  84.785   0.438    3.0     4       52.9       26.6
  309   5   1  -6 42.412  84.825   0.438    3.0     4       27.4        7.1
  310   1   3  -2 42.459  84.919   0.438    3.0     4       21.7        4.5
  311  10   1   1 42.478  84.957   0.438    3.0     4       26.9        6.8
  312   1   3   2 42.579  85.159   0.439    2.99    4       31.4        9.3
  313   8   0  -5 42.603  85.206   0.439    2.99    2       33.0        5.1
  314   6   2  -4 42.686  85.371   0.44     2.98    4       13.8        1.8
  315   3   3  -1 42.69   85.379   0.44     2.98    4        2.7        0.1
  316   8   1   4 42.747  85.494   0.441    2.97    4       24.4        5.6
  317  10   0  -3 42.774  85.549   0.441    2.97    2       20.2        1.9
  318   9   1   3 42.825  85.65    0.441    2.97    4       11.4        1.2
  319   3   3   1 42.869  85.739   0.442    2.96    4       16.4        2.5
  320   4   2  -5 42.935  85.869   0.442    2.96    4        2.8        0.1
  321   2   0   7 43.05   86.1     0.443    2.95    2       24.5        2.8
  322   8   2  -2 43.056  86.113   0.443    2.95    4       30.2        8.5
  323   2   3  -2 43.081  86.163   0.443    2.95    4        7.0        0.5
  324  10   1  -2 43.137  86.275   0.444    2.94    4        2.8        0.1
  325   3   0  -7 43.137  86.275   0.444    2.94    2        4.2        0.1
  326   2   3   2 43.321  86.642   0.445    2.93    4       23.7        5.2
  327   7   2   3 43.353  86.706   0.446    2.93    4       37.6       13.1
  328  11   0   0 43.771  87.541   0.449    2.9     2       26.5        3.2
  329   4   3   0 43.85   87.7     0.45     2.89    4       32.5        9.7
  330  11   0  -1 43.96   87.92    0.451    2.89    2       19.5        1.7
  331   8   2   2 44.014  88.028   0.451    2.88    4       55.0       27.5
  332   9   0   4 44.068  88.137   0.451    2.88    2        2.6        0.0
  333   7   1   5 44.1    88.201   0.452    2.88    4       36.1       11.9
  334   6   2   4 44.123  88.245   0.452    2.88    4       24.9        5.6
  335   4   2   5 44.132  88.263   0.452    2.88    4       29.9        8.1
  336   3   3  -2 44.156  88.312   0.452    2.87    4       11.8        1.3
  337   5   1   6 44.209  88.418   0.453    2.87    4       15.1        2.1
  338   6   0   6 44.228  88.456   0.453    2.87    2       56.2       14.3
  339   4   3  -1 44.248  88.497   0.453    2.87    4       12.6        1.4
  340  10   1   2 44.334  88.668   0.454    2.86    4        3.4        0.1
  341   0   1   7 44.379  88.759   0.454    2.86    4        0.0        0.0
  342   3   0   7 44.394  88.788   0.454    2.86    2       29.2        3.9
  343   1   1  -7 44.397  88.793   0.454    2.86    4       46.9       19.9
  344   4   3   1 44.488  88.975   0.455    2.86    4       23.1        4.8
  345   3   3   2 44.515  89.029   0.455    2.85    4       12.4        1.4
  346   4   0  -7 44.516  89.031   0.455    2.85    2       14.1        0.9
  347   9   1  -4 44.569  89.138   0.456    2.85    4       38.7       13.5
  348  10   0   3 44.57   89.139   0.456    2.85    2        4.3        0.1
  349  11   0   1 44.618  89.235   0.456    2.85    2       20.5        1.9
  350   6   1  -6 44.729  89.458   0.457    2.84    4       72.2       46.8
  351   1   1   7 44.815  89.63    0.458    2.84    4       36.1       11.7
  352   5   2  -5 44.826  89.653   0.458    2.84    4       62.9       35.5
  353   7   0  -6 44.843  89.686   0.458    2.84    2        2.6        0.0
  354   2   1  -7 44.867  89.735   0.458    2.84    4        2.7        0.1
  355   0   3   3 44.885  89.77    0.458    2.83    4       25.8        5.9
  356   8   0   5 44.996  89.993   0.459    2.83    2       52.3       12.2


  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   0   1   5.455  10.911  8.10228     1957.0    100.0    100.0     5.6
    2   1   0  -1   6.412  12.824  6.89743      221.9     11.3     11.3     5.6
    3   1   0   1   6.676  13.352  6.62589       78.3      4.0      4.0     5.6
    4   2   0   0   7.226  14.451  6.12417       56.7      2.9      2.9     5.6
    5   2   0   1   9.261  18.523  4.78617      170.4      8.7      8.7     5.6
    6   3   0   0  10.875  21.75   4.08278       62.9      3.2      3.2     5.6
    7   0   0   2  10.961  21.922  4.05114      229.7     11.7     11.7     5.6
    8   3   0  -1  11.978  23.955  3.71168       30.9      1.6      1.6     5.6
    9   3   0   1  12.412  24.824  3.58376      685.0     35.0     34.7     5.6
   10   2   0  -2  12.906  25.812  3.44872      209.6     10.7     10.6     5.6
   11   1   1   0  12.954  25.907  3.43623       68.5      3.5      3.5     5.6
   12   2   0   2  13.445  26.889  3.31295       54.2      2.8      2.7     5.6
   13   0   1   1  13.605  27.21   3.27459      124.7      6.4      6.3     5.6
   14   1   1  -1  14.029  28.059  3.17749      896.9     45.8     45.3     5.6
   15   1   1   1  14.156  28.312  3.14966      177.9      9.1      9.0     5.6
   16   2   1   0  14.432  28.864  3.09066       31.8      1.6      1.6     5.6
   17   3   0  -2  15.186  30.372  2.94055      255.6     13.1     12.9     5.6
   18   2   1  -1  15.354  30.708  2.90911      243.8     12.5     12.3     5.6
   19   4   0   1  15.829  31.658  2.82391       46.9      2.4      2.4     5.6
   20   3   0   2  15.881  31.762  2.81497      116.9      6.0      5.9     5.6
   21   0   0   3  16.571  33.143  2.70076      248.0     12.7     12.5     5.6
   22   0   1   2  16.687  33.373  2.68262       34.7      1.8      1.7     5.7
   23   1   0  -3  16.82   33.64   2.66193      107.1      5.5      5.4     5.7
   24   1   1  -2  16.988  33.975  2.63647       22.3      1.1      1.1     5.7
   25   1   1   2  17.2    34.4    2.60483       75.1      3.8      3.8     5.7
   26   3   1   1  17.706  35.411  2.53277       34.2      1.7      1.7     5.7
   27   2   0  -3  17.857  35.715  2.51192       44.8      2.3      2.2     5.7
   28   5   0   0  18.327  36.654  2.44967       51.4      2.6      2.6     5.7
   29   2   1   2  18.469  36.937  2.43154       60.6      3.1      3.0     5.7
   30   5   0  -1  18.936  37.871  2.3737        72.0      3.7      3.6     5.7
   31   4   1   0  19.331  38.661  2.32699       37.9      1.9      1.9     5.7
   32   5   0   1  19.417  38.835  2.31701       53.2      2.7      2.7     5.7
   33   3   0  -3  19.574  39.149  2.29914      142.3      7.3      7.1     5.7
   34   3   1  -2  19.815  39.63   2.27229       25.5      1.3      1.3     5.7
   35   4   1   1  20.329  40.659  2.21716       69.1      3.5      3.4     5.7
   36   3   0   3  20.411  40.823  2.20863       63.7      3.3      3.2     5.7
   37   0   1   3  20.932  41.865  2.15604       65.3      3.3      3.3     5.7
   38   5   0  -2  21.118  42.236  2.13792      202.2     10.3     10.1     5.7
   39   1   1   3  21.402  42.804  2.11088      112.7      5.8      5.6     5.7
   40   5   0   2  21.993  43.986  2.05688      283.0     14.5     14.1     5.7
   41   0   0   4  22.351  44.702  2.02557      114.2      5.8      5.7     5.7
   42   5   1   0  22.396  44.793  2.02168       24.7      1.3      1.2     5.7
   43   1   0  -4  22.503  45.005  2.01261      144.8      7.4      7.2     5.7
   44   1   0   4  22.839  45.678  1.98454       50.3      2.6      2.5     5.7
   45   5   0  -3  24.532  49.064  1.85518       34.9      1.8      1.7     5.7
   46   5   1  -2  24.812  49.625  1.83553       67.4      3.4      3.3     5.7
   47   4   1  -3  25.45   50.9    1.79252      274.3     14.0     13.5     5.8
   48   0   2   0  25.488  50.976  1.79         420.9     21.5     20.8     5.8
   49   3   0   4  25.583  51.166  1.78381      172.3      8.8      8.5     5.8
   50   1   1  -4  26.044  52.088  1.75438       66.3      3.4      3.3     5.8
   51   0   2   1  26.149  52.297  1.74785       80.3      4.1      4.0     5.8
   52   4   1   3  26.362  52.725  1.73468      174.5      8.9      8.6     5.8
   53   6   1   1  26.625  53.251  1.71879       22.9      1.2      1.1     5.8
   54   2   1   4  27.338  54.676  1.6773        43.9      2.2      2.2     5.8
   55   0   2   2  28.064  56.128  1.63729       29.4      1.5      1.4     5.8
   56   3   2   1  28.752  57.504  1.60136      134.2      6.9      6.6     5.8
   57   3   1   4  28.846  57.691  1.59659       62.7      3.2      3.1     5.8
   58   2   2  -2  29.002  58.003  1.58875       41.2      2.1      2.0     5.8
   59   7   1   0  29.34   58.68   1.57204       37.3      1.9      1.8     5.8
   60   4   1  -4  29.724  59.448  1.55354       51.4      2.6      2.5     5.8
   61   7   1   1  30.183  60.367  1.53207      138.8      7.1      6.8     5.8
   62   5   0   4  30.258  60.517  1.52863      107.2      5.5      5.2     5.8
   63   8   0  -1  30.525  61.051  1.51654       70.5      3.6      3.4     5.8
   64   3   2   2  30.661  61.322  1.51048       31.2      1.6      1.5     5.8
   65   6   1  -3  30.698  61.397  1.50882       86.8      4.4      4.2     5.8
   66   0   2   3  31.082  62.163  1.49204      105.3      5.4      5.1     5.8
   67   7   1  -2  31.238  62.476  1.48533      128.7      6.6      6.3     5.8
   68   1   1  -5  31.538  63.076  1.47263       70.8      3.6      3.4     5.9
   69   2   2  -3  31.898  63.796  1.45774       27.5      1.4      1.3     5.9
   70   5   2  -1  32.613  65.226  1.42918       34.1      1.7      1.6     5.9
   71   2   1   5  32.79   65.58   1.42234       44.2      2.3      2.1     5.9
   72   5   2   1  32.941  65.883  1.41652       22.0      1.1      1.1     5.9
   73   3   2  -3  33.05   66.099  1.41241       76.8      3.9      3.7     5.9
   74   8   1  -1  33.478  66.956  1.39641       23.0      1.2      1.1     5.9
   75   3   2   3  33.635  67.271  1.39063       24.1      1.2      1.2     5.9
   76   5   0  -5  33.944  67.888  1.37949       38.4      2.0      1.8     5.9
   77   8   1   1  33.995  67.991  1.37765       19.9      1.0      1.0     5.9
   78   5   2  -2  34.142  68.283  1.37246       76.8      3.9      3.7     5.9
   79   5   2   2  34.782  69.564  1.35028      126.0      6.4      6.1     5.9
   80   0   2   4  35.049  70.098  1.34131       50.1      2.6      2.4     5.9
   81   1   2  -4  35.163  70.325  1.33753       32.5      1.7      1.6     5.9
   82   2   0  -6  35.362  70.724  1.33097       39.5      2.0      1.9     5.9
   83   1   2   4  35.416  70.832  1.32919       22.3      1.1      1.1     5.9
   84   9   1  -1  37.524  75.048  1.26464       68.7      3.5      3.3     6.0
   85   3   2   4  37.562  75.125  1.26353       71.3      3.6      3.4     6.0
   86   7   2  -1  38.314  76.627  1.24245       22.3      1.1      1.1     6.0
   87   9   1  -2  38.846  77.691  1.22808       53.0      2.7      2.5     6.0
   88   6   1  -5  39.172  78.344  1.21947       45.7      2.3      2.2     6.0
   89   4   0   6  39.3    78.6    1.21614       19.8      1.0      0.9     6.0
   90   5   2  -4  40.294  80.588  1.19108       20.9      1.1      1.0     6.1
   91   4   1  -6  40.538  81.075  1.18514       26.0      1.3      1.2     6.1
   92   1   3  -1  40.925  81.851  1.17586       40.1      2.1      1.9     6.1
   93   6   1   5  40.992  81.984  1.17429       27.1      1.4      1.3     6.1
   94   8   2   0  41.456  82.911  1.16349       49.1      2.5      2.3     6.1
   95   5   2   4  41.502  83.004  1.16244       26.6      1.4      1.2     6.1
   96   8   2  -1  41.736  83.473  1.15709       72.0      3.7      3.4     6.1
   97   8   2   1  42.217  84.434  1.14635       20.3      1.0      0.9     6.1
   98   3   2   5  42.392  84.785  1.1425        33.7      1.7      1.6     6.1
   99   8   2   2  44.014  88.028  1.10858       27.5      1.4      1.3     6.2
  100   1   1  -7  44.397  88.793  1.10099       23.8      1.2      1.1     6.2
  101   6   1  -6  44.729  89.458  1.09453       46.8      2.4      2.1     6.2
  102   5   2  -5  44.826  89.653  1.09266       47.3      2.4      2.2     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)