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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KANOITE

5, t-pigeonite, at 0.0 GPa, f-pyroxenes, sf-Mg-Fe-pyroxenes, s-clinoenstatite

[Mn(0.84)Mg(1.16)]Si(2)O(6)


Monoclinic  P 2(1)/c  Z = 4

P2(1)/c

17 .7 .1901

Ref.Str.:

         Th. Arlt, R.J. Angel et al. (1998)

         * Amer. Mineral., 83, 1176-1181

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   9.8196   alpha =   90.0 
             b =   8.9172   beta  =  108.5 
             c =   5.2465   gamma =   90.0 

    Unit cell volume (cub. angs.) =   435.65

    Molar volume ( cub.cm/mol.) =    65.6 

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

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

   1 0.2506  0.6537  0.2279   0.58   Mg    = 0.9 , Mn    = 0.1 
   2 0.2549  0.0203  0.2269   0.82   Mg    = 0.26, Mn    = 0.74
   3 0.0422  0.3406  0.2806   0.63   Si    = 1.00
   4 0.5496  0.8377  0.2358   0.64   Si    = 1.00
   5 0.8671  0.3378  0.1725   0.77   O     = 1.00
   6 0.3741  0.8382  0.1312   0.82   O     = 1.00
   7 0.1188  0.5006  0.3237   0.91   O     = 1.00
   8 0.6281  0.9881  0.3715   0.96   O     = 1.00
   9 0.1042  0.2677  0.5875   0.89   O     = 1.00
  10 0.6047  0.7066  0.4751   0.88   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2506     0.6537     0.2279
     2       2     0.2549     0.0203     0.2269
     3       3     0.0422     0.3406     0.2806
     4       4     0.5496     0.8377     0.2358
     5       5     0.8671     0.3378     0.1725
     6       6     0.3741     0.8382     0.1312
     7       7     0.1188     0.5006     0.3237
     8       8     0.6281     0.9881     0.3715
     9       9     0.1042     0.2677     0.5875
    10      10     0.6047     0.7066     0.4751
    11       1     0.7494     0.1537     0.2721
    12       2     0.7451     0.5203     0.2731
    13       3     0.9578     0.8406     0.2194
    14       4     0.4504     0.3377     0.2642
    15       5     0.1329     0.8378     0.3275
    16       6     0.6259     0.3382     0.3688
    17       7     0.8812     0.0006     0.1763
    18       8     0.3719     0.4881     0.1285
    19       9     0.8958     0.7677     0.9125
    20      10     0.3953     0.2066     0.0249
    21       1     0.2506     0.8463     0.7279
    22       2     0.2549     0.4797     0.7269
    23       3     0.0422     0.1594     0.7806
    24       4     0.5496     0.6623     0.7358
    25       5     0.8671     0.1622     0.6725
    26       6     0.3741     0.6618     0.6312
    27       7     0.1188     0.9994     0.8237
    28       8     0.6281     0.5119     0.8715
    29       9     0.1042     0.2323     0.0875
    30      10     0.6047     0.7934     0.9751
    31       1     0.7494     0.3463     0.7721
    32       2     0.7451     0.9797     0.7731
    33       3     0.9578     0.6594     0.7194
    34       4     0.4504     0.1623     0.7642
    35       5     0.1329     0.6622     0.8275
    36       6     0.6259     0.1618     0.8688
    37       7     0.8812     0.4994     0.6763
    38       8     0.3719     0.0119     0.6285
    39       9     0.8958     0.7323     0.4125
    40      10     0.3953     0.2934     0.5249


X-ray density (g/cm cub.)   =      3.45

MU (1/cm) =     286.654    Mass attenuation coefficient (cm**2/g) =     82.987

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

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

    1   Mg   ,Mn             2.724        6
                                                 2.1964       6
                                                 2.0508       7
                                                 2.1653       5
                                                 2.065        8
                                                 2.0793       6
                                                 2.0527       5
    2   Mg   ,Mn             2.724        6
                                                 2.1525       6
                                                 2.1824       5
                                                 2.5907      10
                                                 2.1215       7
                                                 2.3686       9
                                                 2.0564       8
    3    Si                  2.1          4
                                                 1.6308       5
                                                 1.5951       7
                                                 1.6624       9
                                                 1.6497       9
    4    Si                  2.1          4
                                                 1.6341       6
                                                 1.597        8
                                                 1.6749      10
                                                 1.6703      10
    5    O                   3.264       11
                                                 2.757        7
                                                 2.7082       9
                                                 2.8668       6
                                                 3.0098       7
                                                 3.0551       5
                                                 3.0551       5
                                                 2.8389       8
                                                 2.6765       9
                                                 2.8664       6
                                                 2.9749       7
                                                 3.0169       7
    6    O                   3.264       11
                                                 2.757        8
                                                 2.677       10
                                                 2.8668       5
                                                 3.122        8
                                                 3.0587       6
                                                 3.0587       6
                                                 2.8959       7
                                                 2.6711      10
                                                 2.8664       5
                                                 3.0402       8
                                                 3.0528       8
    7    O                   3.264       10
                                                 2.757        5
                                                 2.5249       9
                                                 3.0098       5
                                                 2.9755       8
                                                 2.8959       6
                                                 2.6772       9
                                                 2.9749       5
                                                 3.0169       5
                                                 3.151        9
                                                 3.175       10
    8    O                   3.264       10
                                                 2.757        6
                                                 2.5939      10
                                                 3.122        6
                                                 2.9755       7
                                                 3.1129      10
                                                 2.8389       5
                                                 2.6625      10
                                                 3.0402       6
                                                 3.0528       6
                                                 3.2164       8
    9    O                   3.264        9
                                                 2.7082       5
                                                 2.5249       7
                                                 3.0935      10
                                                 2.6765       5
                                                 2.6772       7
                                                 2.6422       9
                                                 2.6422       9
                                                 3.151        7
                                                 2.9879      10
   10    O                   3.264       10
                                                 2.677        6
                                                 2.5939       8
                                                 3.1129       8
                                                 3.0935       9
                                                 2.6711       6
                                                 2.6625       8
                                                 2.7351      10
                                                 2.7351      10
                                                 3.175        7
                                                 2.9879       9

  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  4.745   9.49    0.054  289.3     2        1.7        0.8
    2   1   1   0  6.869  13.738   0.078  136.86    4        5.1        7.4
    3   2   0   0  9.523  19.046   0.107   70.15    2       27.6       56.2
    4   0   2   0  9.948  19.897   0.112   64.09    2        6.7        3.0
    5   1   1  -1  9.999  19.997   0.113   63.43    4       29.7      118.1
    6   0   1   1 10.212  20.424   0.115   60.72    4       20.6       54.2
    7   2   1   0 10.756  21.513   0.121   54.52    4        4.9        2.8
    8   1   2   0 11.043  22.086   0.124   51.61    4        1.9        0.4
    9   2   1  -1 11.903  23.807   0.134   44.13    4        1.0        0.1
   10   1   1   1 12.44   24.88    0.14    40.23    4       10.8        9.9
   11   1   2  -1 13.25   26.499   0.149   35.22    4       17.3       22.1
   12   0   2   1 13.414  26.828   0.151   34.31    4       55.5      222.5
   13   2   2   0 13.839  27.679   0.155   32.12    4       91.8      570.7
   14   3   0   0 14.369  28.737   0.161   29.65    2       12.4        4.8
   15   2   2  -1 14.762  29.525   0.165   27.99    4      135.1     1076.5
   16   3   1  -1 15.187  30.374   0.17    26.34    4       91.6      465.6
   17   1   2   1 15.205  30.41    0.17    26.27    4       15.8       13.8
   18   3   1   0 15.234  30.468   0.171   26.16    4       96.4      512.5
   19   1   3   0 15.785  31.57    0.177   24.24    4        5.8        1.7
   20   2   1   1 15.901  31.802   0.178   23.86    4        7.2        2.6
   21   1   0  -2 17.1    34.201   0.191   20.38    2       23.7       12.0
   22   1   3  -1 17.441  34.883   0.195   19.52    4      101.1      420.3
   23   2   0  -2 17.531  35.062   0.196   19.3     2       29.4       17.6
   24   3   2  -1 17.559  35.117   0.196   19.24    4        9.3        3.5
   25   0   3   1 17.57   35.14    0.196   19.21    4       29.1       34.3
   26   3   2   0 17.6    35.201   0.196   19.14    4        8.8        3.1
   27   1   1  -2 17.847  35.694   0.199   18.56    4        5.8        1.3
   28   2   3   0 17.906  35.811   0.2     18.43    4       11.0        4.7
   29   0   0   2 18.038  36.076   0.201   18.13    2      167.8      537.8
   30   2   2   1 18.19   36.379   0.203   17.8     4       86.3      279.5
   31   2   1  -2 18.262  36.524   0.203   17.65    4        6.7        1.7
   32   2   3  -1 18.648  37.295   0.208   16.86    4       42.7       64.7
   33   0   1   2 18.752  37.504   0.209   16.65    4        0.4        0.0
   34   1   3   1 19.01   38.019   0.211   16.16    4       24.4       20.3
   35   4   1  -1 19.222  38.445   0.214   15.76    4        6.7        1.5
   36   3   0  -2 19.249  38.498   0.214   15.71    2        3.5        0.2
   37   4   0   0 19.322  38.644   0.215   15.58    2        8.8        1.3
   38   3   1  -2 19.926  39.852   0.221   14.56    4        3.1        0.3
   39   1   2  -2 19.94   39.881   0.221   14.53    4        4.3        0.6
   40   4   1   0 19.997  39.994   0.222   14.44    4        1.4        0.1
   41   3   1   1 20.038  40.076   0.222   14.37    4       74.5      168.2
   42   1   0   2 20.178  40.356   0.224   14.15    2       60.9       55.4
   43   0   4   0 20.214  40.428   0.224   14.1     2       20.6        6.3
   44   2   2  -2 20.319  40.638   0.225   13.94    4       29.0       24.6
   45   0   2   2 20.768  41.535   0.23    13.27    4       43.1       52.0
   46   1   4   0 20.811  41.622   0.231   13.21    4        5.1        0.7
   47   1   1   2 20.83   41.659   0.231   13.18    4       52.8       77.6
   48   3   3  -1 20.991  41.982   0.233   12.96    4      119.8      392.1
   49   3   3   0 21.027  42.053   0.233   12.91    4       35.7       34.7
   50   4   2  -1 21.201  42.401   0.235   12.67    4       50.5       68.0
   51   2   3   1 21.536  43.073   0.238   12.23    4       11.2        3.2
   52   3   2  -2 21.851  43.703   0.242   11.84    4       31.1       24.1
   53   4   2   0 21.917  43.835   0.242   11.76    4       39.3       38.2
   54   3   2   1 21.955  43.911   0.243   11.72    4        7.1        1.3
   55   4   0  -2 22.0    43.999   0.243   11.66    2      109.8      148.3
   56   1   4  -1 22.143  44.286   0.245   11.49    4       17.1        7.1
   57   0   4   1 22.249  44.497   0.246   11.37    4       72.6      126.5
   58   2   4   0 22.525  45.05    0.249   11.06    4       50.4       59.2
   59   4   1  -2 22.608  45.217   0.25    10.97    4       28.2       18.4
   60   1   2   2 22.692  45.385   0.25    10.88    4        3.6        0.3
   61   1   3  -2 23.075  46.151   0.254   10.47    4       13.8        4.2
   62   2   4  -1 23.143  46.286   0.255   10.4     4       43.8       42.1
   63   2   0   2 23.246  46.492   0.256   10.3     2       96.3      100.5
   64   2   3  -2 23.413  46.825   0.258   10.13    4       16.0        5.5
   65   1   4   1 23.447  46.895   0.258   10.1     4       15.1        4.9
   66   5   1  -1 23.722  47.445   0.261    9.84    4        0.9        0.0
   67   0   3   2 23.815  47.629   0.262    9.75    4       13.6        3.8
   68   2   1   2 23.83   47.659   0.262    9.74    4        0.7        0.0
   69   4   3  -1 24.204  48.408   0.266    9.4     4       32.8       21.3
   70   4   2  -2 24.363  48.727   0.268    9.26    4        5.3        0.5
   71   5   0   0 24.431  48.862   0.268    9.2     2        1.5        0.0
   72   4   1   1 24.611  49.222   0.27     9.05    4        1.4        0.0
   73   3   3  -2 24.793  49.585   0.272    8.9     4       14.8        4.1
   74   4   3   0 24.852  49.705   0.273    8.85    4        1.8        0.1
   75   3   3   1 24.887  49.774   0.273    8.82    4       39.5       29.0
   76   5   1   0 24.994  49.988   0.274    8.73    4       52.4       50.5
   77   3   4  -1 25.145  50.291   0.276    8.62    4       23.8       10.3
   78   3   4   0 25.176  50.353   0.276    8.59    4        0.0        0.0
   79   5   2  -1 25.418  50.837   0.279    8.41    4       27.5       13.4
   80   2   2   2 25.52   51.041   0.28     8.33    4       78.8      109.0
   81   5   0  -2 25.523  51.046   0.28     8.33    2       18.6        3.0
   82   1   3   2 25.559  51.118   0.28     8.3     4       33.2       19.3
   83   2   4   1 25.621  51.243   0.281    8.26    4       31.9       17.7
   84   5   1  -2 26.068  52.137   0.285    7.94    4       16.7        4.7
   85   1   5   0 26.088  52.177   0.285    7.92    4       82.0      112.2
   86   4   2   1 26.264  52.529   0.287    7.8     4       40.0       26.3
   87   5   2   0 26.63   53.261   0.291    7.56    4       12.9        2.6
   88   2   1  -3 26.693  53.386   0.292    7.52    4        7.6        0.9
   89   1   1  -3 26.967  53.935   0.294    7.35    4       36.5       20.6
   90   1   4  -2 26.982  53.964   0.295    7.34    4       17.6        4.8
   91   3   0   2 27.009  54.019   0.295    7.32    2       23.3        4.2
   92   4   3  -2 27.097  54.194   0.296    7.27    4       14.9        3.4
   93   1   5  -1 27.22   54.441   0.297    7.19    4       25.5        9.9
   94   2   4  -2 27.283  54.566   0.298    7.15    4       53.8       43.7
   95   0   5   1 27.311  54.622   0.298    7.14    4       28.1       11.9
   96   3   1  -3 27.388  54.776   0.299    7.09    4       55.7       46.4
   97   3   1   2 27.534  55.069   0.3      7.01    4       59.2       51.8
   98   2   5   0 27.549  55.098   0.3      7.0     4        3.3        0.2
   99   0   4   2 27.644  55.287   0.301    6.94    4       28.6       11.9
  100   5   2  -2 27.66   55.319   0.301    6.94    4       25.1        9.2
  101   4   4  -1 27.994  55.989   0.305    6.75    4        7.6        0.8
  102   5   3  -1 28.079  56.157   0.306    6.7     4      140.3      277.9
  103   2   5  -1 28.084  56.169   0.306    6.7     4        3.1        0.1
  104   2   3   2 28.174  56.348   0.306    6.65    4        4.6        0.3
  105   0   1   3 28.192  56.385   0.307    6.64    4       25.3        9.0
  106   2   2  -3 28.26   56.519   0.307    6.61    4      118.1      194.2
  107   1   5   1 28.35   56.7     0.308    6.56    4       21.8        6.5
  108   1   2  -3 28.524  57.048   0.31     6.47    4       25.9        9.1
  109   3   4  -2 28.527  57.054   0.31     6.47    4       14.3        2.8
  110   4   4   0 28.581  57.162   0.311    6.44    4       25.7        9.0
  111   6   1  -1 28.589  57.179   0.311    6.43    4       20.1        5.5
  112   3   4   1 28.613  57.225   0.311    6.42    4       23.1        7.2
  113   4   3   1 28.87   57.741   0.313    6.29    4       23.8        7.5
  114   3   2  -3 28.929  57.859   0.314    6.26    4       14.8        2.9
  115   4   1  -3 29.005  58.011   0.315    6.23    4       27.5        9.9
  116   3   2   2 29.071  58.141   0.315    6.2     4       17.1        3.8
  117   5   3   0 29.214  58.429   0.317    6.13    4       19.7        5.0
  118   1   4   2 29.224  58.449   0.317    6.12    4       19.5        4.9
  119   5   1   1 29.544  59.089   0.32     5.98    4        5.4        0.4
  120   6   0  -2 29.645  59.291   0.321    5.93    2      104.5       68.2
  121   0   2   3 29.707  59.413   0.322    5.9     4       11.8        1.7
  122   6   0   0 29.757  59.514   0.322    5.88    2      103.0       65.8
  123   3   5  -1 29.848  59.696   0.323    5.84    4       56.4       39.2
  124   3   5   0 29.876  59.752   0.323    5.83    4       68.2       57.2
  125   6   2  -1 30.091  60.182   0.325    5.73    4       26.9        8.8
  126   6   1  -2 30.14   60.28    0.326    5.71    4        2.4        0.1
  127   5   3  -2 30.185  60.371   0.326    5.69    4       22.2        5.9
  128   6   1   0 30.25   60.501   0.327    5.67    4        0.9        0.0
  129   2   5   1 30.273  60.547   0.327    5.66    4        3.9        0.2
  130   1   1   3 30.292  60.584   0.327    5.65    4        2.9        0.1
  131   4   2  -3 30.494  60.988   0.329    5.57    4        6.6        0.5
  132   4   4  -2 30.639  61.277   0.331    5.51    4        1.5        0.0
  133   2   3  -3 30.754  61.508   0.332    5.46    4       75.9       66.3
  134   1   3  -3 31.005  62.01    0.334    5.37    4      111.9      141.6
  135   5   2   1 31.017  62.034   0.334    5.36    4        3.3        0.1
  136   0   6   0 31.217  62.435   0.336    5.29    2      159.7      142.1
  137   4   0   2 31.332  62.664   0.338    5.24    2       96.5       51.4
  138   3   3  -3 31.391  62.781   0.338    5.22    4       41.1       18.6
  139   5   1  -3 31.456  62.911   0.339    5.2     4       19.5        4.2
  140   1   5  -2 31.5    63.0     0.339    5.18    4       33.5       12.3
  141   3   3   2 31.525  63.05    0.339    5.17    4        4.9        0.3
  142   5   4  -1 31.55   63.099   0.34     5.16    4        4.3        0.2
  143   6   2  -2 31.597  63.193   0.34     5.15    4       59.4       38.3
  144   2   4   2 31.638  63.276   0.34     5.13    4       46.7       23.6
  145   1   6   0 31.658  63.316   0.341    5.12    4        9.1        0.9
  146   6   2   0 31.704  63.408   0.341    5.11    4       14.8        2.4
  147   1   2   3 31.744  63.488   0.342    5.09    4       14.7        2.3
  148   2   5  -2 31.774  63.548   0.342    5.08    4        5.0        0.3
  149   4   1   2 31.811  63.623   0.342    5.07    4       24.5        6.4
  150   0   5   2 32.103  64.205   0.345    4.97    4       48.6       24.7
  151   0   3   3 32.132  64.264   0.345    4.96    4       19.0        3.8
  152   4   4   1 32.289  64.578   0.347    4.91    4       13.3        1.8
  153   4   5  -1 32.423  64.846   0.348    4.87    4        3.6        0.1
  154   6   3  -1 32.499  64.999   0.349    4.84    4        3.8        0.1
  155   5   4   0 32.611  65.223   0.35     4.81    4       19.6        3.9
  156   1   6  -1 32.665  65.33    0.35     4.79    4        4.5        0.2
  157   0   6   1 32.746  65.492   0.351    4.76    4       35.4       12.5
  158   5   2  -3 32.879  65.757   0.352    4.72    4       36.1       13.0
  159   4   3  -3 32.886  65.772   0.352    4.72    4        5.6        0.3
  160   3   5  -2 32.912  65.824   0.353    4.71    4       72.6       52.3
  161   2   6   0 32.96   65.92    0.353    4.7     4       11.8        1.4
  162   4   5   0 32.962  65.924   0.353    4.7     4        7.2        0.5
  163   3   5   1 32.991  65.982   0.353    4.69    4       48.7       23.4
  164   2   1   3 33.17   66.339   0.355    4.63    4        6.0        0.4
  165   4   2   2 33.226  66.453   0.356    4.62    4        0.3        0.0
  166   5   3   1 33.388  66.776   0.357    4.57    4      178.2      305.7
  167   2   6  -1 33.442  66.884   0.358    4.55    4        0.9        0.0
  168   5   4  -2 33.525  67.05    0.359    4.53    4       23.3        5.2
  169   1   5   2 33.555  67.111   0.359    4.52    4       43.0       17.6
  170   1   6   1 33.682  67.364   0.36     4.49    4       17.5        2.9
  171   7   1  -1 33.822  67.643   0.361    4.45    4       39.6       14.7
  172   6   3  -2 33.946  67.891   0.362    4.41    4        8.5        0.7
  173   6   3   0 34.049  68.098   0.363    4.39    4        3.7        0.1
  174   2   4  -3 34.063  68.125   0.364    4.38    4       62.0       35.5
  175   1   3   3 34.088  68.176   0.364    4.38    4       73.4       49.7
  176   7   0  -2 34.287  68.575   0.366    4.32    2       77.0       27.0
  177   1   4  -3 34.301  68.601   0.366    4.32    4        1.6        0.0
  178   2   2   3 34.556  69.112   0.368    4.25    4       44.4       17.7
  179   6   1  -3 34.646  69.292   0.369    4.23    4       16.3        2.4
  180   3   4  -3 34.667  69.334   0.369    4.23    4        6.3        0.3
  181   7   1  -2 34.745  69.49    0.37     4.21    4       90.2       72.2
  182   3   4   2 34.795  69.59    0.37     4.19    4       10.9        1.1
  183   6   1   1 34.851  69.701   0.371    4.18    4        3.1        0.1
  184   4   5  -2 34.871  69.741   0.371    4.18    4        9.6        0.8
  185   3   6  -1 35.049  70.097   0.373    4.13    4        9.6        0.8
  186   3   6   0 35.074  70.148   0.373    4.13    4        8.8        0.7
  187   5   3  -3 35.184  70.368   0.374    4.1     4       72.8       45.8
  188   7   2  -1 35.195  70.391   0.374    4.1     4        3.2        0.1
  189   0   4   3 35.373  70.746   0.376    4.06    4       48.8       20.4
  190   7   0   0 35.383  70.766   0.376    4.06    2       16.0        1.1
  191   2   6   1 35.44   70.88    0.376    4.04    4        8.8        0.7
  192   4   3   2 35.52   71.041   0.377    4.02    4        8.3        0.6
  193   6   4  -1 35.724  71.448   0.379    3.98    4        5.0        0.2
  194   5   5  -1 35.725  71.45    0.379    3.98    4       15.6        2.1
  195   2   5   2 35.808  71.617   0.38     3.96    4        2.2        0.0
  196   7   1   0 35.835  71.669   0.38     3.95    4       47.2       18.6
  197   6   2  -3 36.005  72.011   0.382    3.92    4        4.4        0.2
  198   2   0  -4 36.022  72.044   0.382    3.91    2       15.7        1.0
  199   4   4  -3 36.094  72.187   0.382    3.9     4       17.9        2.6
  200   7   2  -2 36.103  72.206   0.382    3.9     4        8.6        0.6
  201   3   0  -4 36.124  72.248   0.383    3.89    2       82.1       27.6
  202   5   0   2 36.165  72.331   0.383    3.88    2       16.0        1.0
  203   6   2   1 36.207  72.414   0.383    3.88    4       38.8       12.3
  204   4   5   1 36.422  72.844   0.385    3.83    4       11.9        1.1
  205   2   1  -4 36.47   72.941   0.386    3.82    4       41.2       13.6
  206   3   1  -4 36.572  73.144   0.387    3.8     4       40.3       13.0
  207   5   4   1 36.575  73.151   0.387    3.8     4        0.6        0.0
  208   1   6  -2 36.576  73.152   0.387    3.8     4        1.2        0.0
  209   5   1   2 36.613  73.226   0.387    3.79    4       54.2       23.5
  210   5   5   0 36.727  73.454   0.388    3.77    4       22.8        4.1
  211   1   0  -4 36.741  73.483   0.388    3.77    2       13.7        0.7
  212   3   1   3 36.747  73.494   0.388    3.77    4       42.3       14.2
  213   2   3   3 36.812  73.624   0.389    3.76    4       19.4        3.0
  214   2   6  -2 36.831  73.663   0.389    3.75    4       43.1       14.7
  215   4   0  -4 37.045  74.089   0.391    3.71    2      104.7       42.8
  216   6   4  -2 37.111  74.222   0.392    3.7     4        8.7        0.6
  217   0   6   2 37.138  74.277   0.392    3.69    4      117.4      107.4
  218   7   2   0 37.176  74.352   0.392    3.69    4        0.3        0.0
  219   1   1  -4 37.186  74.372   0.392    3.69    4        4.1        0.1
  220   6   4   0 37.211  74.422   0.393    3.68    4       23.0        4.1
  221   1   4   3 37.248  74.496   0.393    3.67    4        2.6        0.1
  222   7   3  -1 37.436  74.871   0.395    3.64    4       32.3        8.0
  223   4   6  -1 37.439  74.877   0.395    3.64    4       18.0        2.5
  224   4   1  -4 37.488  74.977   0.395    3.63    4       27.0        5.6
  225   5   5  -2 37.595  75.19    0.396    3.61    4        1.0        0.0
  226   1   7   0 37.611  75.223   0.396    3.61    4       18.8        2.7
  227   2   2  -4 37.803  75.606   0.398    3.58    4       37.7       10.7
  228   3   6  -2 37.898  75.796   0.399    3.56    4       24.3        4.4
  229   3   2  -4 37.903  75.806   0.399    3.56    4        6.2        0.3
  230   5   2   2 37.944  75.888   0.399    3.55    4        5.1        0.2
  231   4   6   0 37.945  75.89    0.399    3.55    4       37.0       10.3
  232   3   6   1 37.972  75.944   0.399    3.55    4       10.7        0.9
  233   3   2   3 38.076  76.152   0.4      3.53    4        2.5        0.0
  234   2   5  -3 38.108  76.216   0.401    3.53    4       12.4        1.1
  235   6   3  -3 38.227  76.454   0.402    3.51    4       19.9        2.9
  236   0   0   4 38.264  76.529   0.402    3.5     2       72.7       19.5
  237   5   4  -3 38.307  76.614   0.402    3.49    4       10.8        0.9
  238   7   3  -2 38.323  76.645   0.403    3.49    4       12.0        1.1
  239   1   5  -3 38.335  76.671   0.403    3.49    4       32.8        7.9
  240   6   3   1 38.424  76.849   0.403    3.48    4        1.8        0.0
  241   1   6   2 38.505  77.009   0.404    3.46    4       16.3        1.9
  242   1   2  -4 38.51   77.02    0.404    3.46    4        8.3        0.5
  243   7   1  -3 38.514  77.028   0.404    3.46    4       35.2        9.1
  244   1   7  -1 38.546  77.092   0.404    3.46    4        8.1        0.5
  245   0   7   1 38.622  77.243   0.405    3.45    4       10.2        0.8
  246   4   4   2 38.633  77.266   0.405    3.44    4       11.5        1.0
  247   3   5  -3 38.686  77.372   0.406    3.44    4       52.8       20.2
  248   0   1   4 38.703  77.406   0.406    3.43    4       39.0       11.0
  249   5   0  -4 38.763  77.525   0.406    3.42    2       16.3        1.0
  250   4   2  -4 38.809  77.617   0.407    3.42    4       18.7        2.5
  251   3   5   2 38.809  77.618   0.407    3.42    4      101.9       74.7
  252   2   7   0 38.821  77.643   0.407    3.42    4       20.4        3.0
  253   5   1  -4 39.2    78.4     0.41     3.36    4        7.7        0.4
  254   2   7  -1 39.273  78.546   0.411    3.35    4        3.9        0.1
  255   0   5   3 39.364  78.729   0.412    3.34    4       11.8        1.0
  256   7   3   0 39.374  78.749   0.412    3.34    4       13.8        1.3
  257   8   0  -2 39.45   78.9     0.412    3.33    2       40.8        5.8
  258   8   1  -1 39.484  78.968   0.413    3.32    4       11.8        1.0
  259   1   7   1 39.498  78.997   0.413    3.32    4       21.5        3.2
  260   6   5  -1 39.703  79.405   0.415    3.29    4       19.1        2.5
  261   4   6  -2 39.754  79.508   0.415    3.29    4       55.7       21.5
  262   7   2  -3 39.824  79.647   0.416    3.28    4       21.3        3.1
  263   8   1  -2 39.885  79.77    0.416    3.27    4        6.9        0.3
  264   2   4   3 39.889  79.778   0.416    3.27    4        8.3        0.5
  265   2   3  -4 39.99   79.981   0.417    3.26    4        7.5        0.4
  266   0   2   4 40.011  80.022   0.417    3.25    4        4.0        0.1
  267   4   5  -3 40.06   80.119   0.418    3.25    4       25.6        4.5
  268   3   3  -4 40.089  80.178   0.418    3.24    4        6.2        0.3
  269   5   3   2 40.129  80.258   0.418    3.24    4        5.9        0.2
  270   3   3   3 40.259  80.519   0.419    3.22    4       22.6        3.5
  271   7   4  -1 40.497  80.995   0.422    3.19    4        7.9        0.4
  272   5   2  -4 40.504  81.007   0.422    3.19    4       45.9       14.2
  273   5   5   1 40.526  81.051   0.422    3.19    4       13.8        1.3
  274   1   0   4 40.564  81.128   0.422    3.19    2        2.7        0.0
  275   5   6  -1 40.571  81.142   0.422    3.19    4        5.9        0.2
  276   7   1   1 40.607  81.214   0.422    3.18    4       43.0       12.4
  277   2   6   2 40.651  81.303   0.423    3.18    4       48.3       15.6
  278   1   3  -4 40.687  81.373   0.423    3.17    4        8.5        0.5
  279   8   2  -1 40.785  81.571   0.424    3.16    4       39.9       10.6
  280   3   7  -1 40.79   81.581   0.424    3.16    4       37.6        9.4
  281   3   7   0 40.815  81.629   0.424    3.16    4        0.9        0.0
  282   4   3  -4 40.981  81.962   0.426    3.14    4        1.2        0.0
  283   4   1   3 40.989  81.979   0.426    3.14    4        9.0        0.5
  284   1   1   4 40.996  81.992   0.426    3.14    4        9.3        0.6
  285   6   5  -2 41.046  82.091   0.426    3.13    4       28.5        5.4
  286   6   5   0 41.143  82.285   0.427    3.12    4        6.7        0.3
  287   2   7   1 41.163  82.325   0.427    3.12    4        5.8        0.2
  288   1   5   3 41.179  82.358   0.427    3.12    4        0.1        0.0
  289   8   2  -2 41.183  82.366   0.427    3.12    4       35.8        8.4
  290   4   6   1 41.242  82.483   0.428    3.11    4       11.5        0.9
  291   6   0  -4 41.251  82.501   0.428    3.11    2       68.7       15.5
  292   6   4  -3 41.272  82.544   0.428    3.11    4       23.5        3.6
  293   7   4  -2 41.366  82.732   0.429    3.1     4        3.1        0.1
  294   8   0   0 41.434  82.869   0.43     3.09    2       71.6       16.7
  295   6   4   1 41.466  82.931   0.43     3.09    4        2.5        0.0
  296   5   6   0 41.536  83.072   0.43     3.08    4        8.5        0.5
  297   6   0   2 41.541  83.081   0.43     3.08    2       31.4        3.2
  298   6   1  -4 41.681  83.363   0.432    3.07    4       31.2        6.3
  299   8   1   0 41.865  83.73    0.433    3.05    4        2.4        0.0
  300   7   2   1 41.901  83.801   0.434    3.05    4        7.7        0.4
  301   6   1   2 41.971  83.942   0.434    3.04    4        0.5        0.0
  302   7   3  -3 41.984  83.968   0.434    3.04    4        6.6        0.3
  303   0   3   4 42.169  84.339   0.436    3.02    4       12.9        1.1
  304   5   5  -3 42.211  84.422   0.436    3.02    4       10.7        0.7
  305   1   7  -2 42.251  84.501   0.436    3.02    4       19.6        2.4
  306   4   2   3 42.281  84.562   0.437    3.01    4       16.2        1.7
  307   1   2   4 42.288  84.575   0.437    3.01    4       35.6        8.1
  308   5   6  -2 42.376  84.753   0.438    3.0     4        7.5        0.4
  309   7   4   0 42.4    84.799   0.438    3.0     4        2.0        0.0
  310   2   7  -2 42.496  84.993   0.439    2.99    4       17.5        1.9
  311   4   5   2 42.53   85.06    0.439    2.99    4        3.1        0.1
  312   5   3  -4 42.657  85.314   0.44     2.98    4        5.7        0.2
  313   0   7   2 42.792  85.585   0.441    2.97    4        6.0        0.2
  314   2   6  -3 42.875  85.75    0.442    2.96    4       12.7        1.0
  315   8   3  -1 42.937  85.873   0.442    2.96    4       17.9        2.0
  316   6   2  -4 42.97   85.939   0.442    2.96    4       19.8        2.4
  317   2   4  -4 43.007  86.014   0.443    2.95    4       26.4        4.3
  318   8   1  -3 43.051  86.102   0.443    2.95    4        7.1        0.3
  319   4   7  -1 43.083  86.165   0.443    2.95    4       12.7        1.0
  320   1   6  -3 43.097  86.194   0.443    2.95    4        1.8        0.0
  321   3   4  -4 43.104  86.209   0.444    2.95    4       10.3        0.7
  322   5   4   2 43.144  86.288   0.444    2.94    4        2.2        0.0
  323   8   2   0 43.152  86.305   0.444    2.94    4       39.4        9.6
  324   6   2   2 43.258  86.516   0.445    2.93    4       17.3        1.9
  325   3   4   3 43.273  86.545   0.445    2.93    4        9.9        0.6
  326   8   3  -2 43.331  86.662   0.445    2.93    4        5.7        0.2
  327   3   6  -3 43.439  86.878   0.446    2.92    4       23.2        3.3
  328   3   7  -2 43.528  87.055   0.447    2.92    4        2.3        0.0
  329   3   6   2 43.559  87.118   0.447    2.91    4       31.1        5.9
  330   4   7   0 43.573  87.146   0.447    2.91    4        3.4        0.1
  331   3   7   1 43.6    87.199   0.448    2.91    4       34.4        7.3
  332   2   0   4 43.62   87.241   0.448    2.91    2       38.6        4.6
  333   1   4  -4 43.695  87.39    0.448    2.9     4        7.8        0.4
  334   0   8   0 43.713  87.427   0.449    2.9     2       21.0        1.3
  335   2   5   3 43.763  87.527   0.449    2.9     4        1.0        0.0
  336   4   4  -4 43.987  87.973   0.451    2.89    4        2.4        0.0
  337   7   3   1 44.044  88.088   0.451    2.88    4        3.6        0.1
  338   2   1   4 44.048  88.096   0.451    2.88    4        5.1        0.2
  339   0   6   3 44.103  88.207   0.452    2.88    4       13.1        1.0
  340   1   8   0 44.106  88.211   0.452    2.88    4       12.6        1.0
  341   1   7   2 44.118  88.236   0.452    2.88    4       24.2        3.5
  342   8   2  -3 44.335  88.67    0.454    2.86    4       48.0       13.9
  343   7   5  -1 44.364  88.727   0.454    2.86    4       29.2        5.1
  344   4   3   3 44.423  88.845   0.454    2.86    4        4.7        0.1
  345   1   3   4 44.429  88.858   0.454    2.86    4        5.1        0.2
  346   6   6  -1 44.436  88.871   0.454    2.86    4       17.1        1.8
  347   7   0  -4 44.495  88.99    0.455    2.86    2       56.3        9.5
  348   4   6  -3 44.787  89.574   0.457    2.84    4       18.5        2.0
  349   7   1  -4 44.922  89.845   0.458    2.83    4       41.9       10.5
  350   7   4  -3 44.982  89.964   0.459    2.83    4       32.3        6.2


  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   2   0   0   9.523  19.046  4.65594       56.2      5.2      5.3     5.6
    2   1   1  -1   9.999  19.997  4.43651      118.1     11.0     11.1     5.6
    3   0   1   1  10.212  20.424  4.34474       54.2      5.0      5.1     5.6
    4   1   2  -1  13.25   26.499  3.36081       22.1      2.1      2.1     5.6
    5   0   2   1  13.414  26.828  3.32039      222.5     20.7     20.7     5.6
    6   2   2   0  13.839  27.679  3.22021      570.7     53.0     53.1     5.6
    7   2   2  -1  14.762  29.525  3.02295     1076.5    100.0    100.0     5.6
    8   3   1  -1  15.187  30.374  2.94037      479.3     44.5     44.5     5.6
    9   3   1   0  15.234  30.468  2.93144      512.5     47.6     47.6     5.6
   10   1   0  -2  17.1    34.201  2.61958       12.0      1.1      1.1     5.7
   11   1   3  -1  17.441  34.883  2.5699       420.3     39.0     38.9     5.7
   12   2   0  -2  17.531  35.062  2.55721       21.1      2.0      2.0     5.7
   13   0   3   1  17.57   35.14   2.55169       34.3      3.2      3.2     5.7
   14   0   0   2  18.038  36.076  2.48762      537.8     50.0     49.7     5.7
   15   2   2   1  18.19   36.379  2.46755      279.5     26.0     25.8     5.7
   16   2   3  -1  18.648  37.295  2.40904       64.7      6.0      6.0     5.7
   17   1   3   1  19.01   38.019  2.3648        20.3      1.9      1.9     5.7
   18   3   1   1  20.038  40.076  2.24806      168.2     15.6     15.5     5.7
   19   1   0   2  20.178  40.356  2.2331        55.4      5.1      5.1     5.7
   20   2   2  -2  20.319  40.638  2.21826       24.6      2.3      2.3     5.7
   21   0   2   2  20.768  41.535  2.17237       52.0      4.8      4.8     5.7
   22   1   1   2  20.83   41.659  2.16621       77.6      7.2      7.1     5.7
   23   3   3  -1  20.991  41.982  2.15031      392.1     36.4     36.0     5.7
   24   3   3   0  21.027  42.053  2.14681       34.7      3.2      3.2     5.7
   25   4   2  -1  21.201  42.401  2.12999       68.0      6.3      6.2     5.7
   26   3   2  -2  21.851  43.703  2.06953       24.1      2.2      2.2     5.7
   27   4   2   0  21.917  43.835  2.06361       38.2      3.5      3.5     5.7
   28   4   0  -2  22.0    43.999  2.05627      148.3     13.8     13.6     5.7
   29   0   4   1  22.249  44.497  2.03441      126.5     11.7     11.6     5.7
   30   2   4   0  22.525  45.05   2.0107        59.2      5.5      5.4     5.7
   31   4   1  -2  22.608  45.217  2.00369       18.4      1.7      1.7     5.7
   32   2   4  -1  23.143  46.286  1.95987       42.1      3.9      3.8     5.7
   33   2   0   2  23.246  46.492  1.95168      100.5      9.3      9.2     5.7
   34   4   3  -1  24.204  48.408  1.87879       21.3      2.0      1.9     5.7
   35   3   3   1  24.887  49.774  1.83038       29.0      2.7      2.6     5.7
   36   5   1   0  24.994  49.988  1.82304       50.5      4.7      4.6     5.7
   37   5   2  -1  25.418  50.837  1.79458       13.4      1.2      1.2     5.8
   38   2   2   2  25.52   51.041  1.78789      112.0     10.4     10.2     5.8
   39   1   3   2  25.559  51.118  1.78538       19.3      1.8      1.8     5.8
   40   2   4   1  25.621  51.243  1.78132       17.7      1.6      1.6     5.8
   41   1   5   0  26.088  52.177  1.7516       116.9     10.9     10.6     5.8
   42   4   2   1  26.264  52.529  1.7407        26.3      2.4      2.4     5.8
   43   1   1  -3  26.967  53.935  1.69859       25.4      2.4      2.3     5.8
   44   2   4  -2  27.283  54.566  1.68041       55.5      5.2      5.0     5.8
   45   3   1  -3  27.388  54.776  1.67448       46.4      4.3      4.2     5.8
   46   3   1   2  27.534  55.069  1.66626       52.0      4.8      4.7     5.8
   47   0   4   2  27.644  55.287  1.66019       21.1      2.0      1.9     5.8
   48   5   3  -1  28.079  56.157  1.63651      278.1     25.8     25.1     5.8
   49   2   2  -3  28.26   56.519  1.62689      194.2     18.0     17.5     5.8
   50   1   2  -3  28.524  57.048  1.61306       11.9      1.1      1.1     5.8
   51   4   4   0  28.581  57.162  1.61011       14.4      1.3      1.3     5.8
   52   6   0  -2  29.645  59.291  1.55728       68.2      6.3      6.1     5.8
   53   6   0   0  29.757  59.514  1.55198       65.8      6.1      5.9     5.8
   54   3   5   0  29.876  59.752  1.54636       96.3      8.9      8.7     5.8
   55   2   3  -3  30.754  61.508  1.50636       66.3      6.2      5.9     5.8
   56   1   3  -3  31.005  62.01   1.49536      141.7     13.2     12.7     5.8
   57   0   6   0  31.217  62.435  1.4862       142.1     13.2     12.7     5.8
   58   4   0   2  31.332  62.664  1.48131       51.4      4.8      4.6     5.8
   59   3   3  -3  31.391  62.781  1.47884       18.6      1.7      1.7     5.9
   60   1   5  -2  31.5    63.0    1.47422       12.5      1.2      1.1     5.9
   61   6   2  -2  31.597  63.193  1.47018       38.3      3.6      3.4     5.9
   62   2   4   2  31.638  63.276  1.46845       24.5      2.3      2.2     5.9
   63   0   5   2  32.103  64.205  1.44943       24.7      2.3      2.2     5.9
   64   0   6   1  32.746  65.492  1.42402       12.5      1.2      1.1     5.9
   65   5   2  -3  32.879  65.757  1.41892       13.3      1.2      1.2     5.9
   66   3   5  -2  32.912  65.824  1.41765       52.3      4.9      4.7     5.9
   67   3   5   1  32.991  65.982  1.41464       23.4      2.2      2.1     5.9
   68   5   3   1  33.388  66.776  1.39973      305.7     28.4     27.2     5.9
   69   1   5   2  33.555  67.111  1.39356       17.6      1.6      1.6     5.9
   70   7   1  -1  33.822  67.643  1.38388       14.7      1.4      1.3     5.9
   71   1   3   3  34.088  68.176  1.37437       85.2      7.9      7.5     5.9
   72   7   0  -2  34.287  68.575  1.36734       27.0      2.5      2.4     5.9
   73   2   2   3  34.556  69.112  1.35802       17.7      1.6      1.6     5.9
   74   7   1  -2  34.745  69.49   1.35154       72.2      6.7      6.4     5.9
   75   5   3  -3  35.184  70.368  1.33682       45.9      4.3      4.1     5.9
   76   0   4   3  35.373  70.746  1.33061       21.5      2.0      1.9     5.9
   77   7   1   0  35.835  71.669  1.31571       18.6      1.7      1.6     5.9
   78   3   0  -4  36.124  72.248  1.30659       27.6      2.6      2.4     5.9
   79   6   2   1  36.207  72.414  1.30401       12.3      1.1      1.1     5.9
   80   2   1  -4  36.47   72.941  1.29588       13.6      1.3      1.2     6.0
   81   3   1  -4  36.572  73.144  1.29279       13.1      1.2      1.1     6.0
   82   5   1   2  36.613  73.226  1.29153       23.5      2.2      2.1     6.0
   83   3   1   3  36.747  73.494  1.28749       19.1      1.8      1.7     6.0
   84   2   6  -2  36.831  73.663  1.28495       17.6      1.6      1.5     6.0
   85   4   0  -4  37.045  74.089  1.27861       42.8      4.0      3.8     6.0
   86   0   6   2  37.138  74.277  1.27585      107.4     10.0      9.4     6.0
   87   4   6   0  37.945  75.89   1.25269       11.1      1.0      1.0     6.0
   88   0   0   4  38.264  76.529  1.24381       19.5      1.8      1.7     6.0
   89   7   1  -3  38.514  77.028  1.23699       11.5      1.1      1.0     6.0
   90   3   5  -3  38.686  77.372  1.23234       31.2      2.9      2.7     6.0
   91   2   7   0  38.821  77.643  1.22872       80.3      7.5      7.0     6.0
   92   4   6  -2  39.754  79.508  1.20452       21.5      2.0      1.9     6.0
   93   5   2  -4  40.504  81.007  1.18597       15.4      1.4      1.3     6.1
   94   7   1   1  40.607  81.214  1.18347       12.4      1.1      1.1     6.1
   95   2   6   2  40.651  81.303  1.1824        15.6      1.5      1.3     6.1
   96   8   2  -1  40.785  81.571  1.17919       20.0      1.9      1.7     6.1
   97   6   0  -4  41.251  82.501  1.16824       19.1      1.8      1.6     6.1
   98   8   0   0  41.434  82.869  1.16399       16.7      1.6      1.4     6.1
   99   3   7   1  43.6    87.199  1.11697       11.8      1.1      1.0     6.2
  100   8   2  -3  44.335  88.67   1.10221       19.0      1.8      1.6     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)