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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JOURAVSKITE

1

Ca(3)Mn[SO(4)][CO(3)][OH](6).12[H(2)O]


Hexagonal  P 6(3)  Z = 2

P6(3)

24 .3 .1988

Ref.Str.:

         Granger M.M., Protas J. (1969)

         * Acta Cryst., B25, 1943-1951

                   Initial data from BDM-file 

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

             a =  11.06     alpha =   90.0 
             b =  11.06     beta  =   90.0 
             c =  10.5      gamma =  120.0 

    Unit cell volume (cub. angs.) =  1112.32

    Molar volume ( cub.cm/mol.) =   335.0 

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

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

   1 0.0     0.0     0.0435   0.0    Mn    = 1.00
   2 0.3333  0.6667  0.0      0.0    C     = 1.00
   3 0.3333  0.6667  0.5345   0.0    S     = 1.00
   4 0.3333  0.6667  0.3867   0.0    O     = 1.00
   5 0.0024  0.2049  0.7936   0.0    Ca    = 1.00
   6 0.1963  0.6289  0.0      0.0    O     = 1.00
   7 0.1937  0.5881  0.5763   0.0    O     = 1.00
   8 0.0045  0.1356  0.4319   0.0    O     = 1.00
   9 0.1356  0.1355  0.6479   0.0    O     = 1.00
  10 0.0179  0.3452  0.9834   0.0    O     = 1.00
  11 0.9859  0.3327  0.6148   0.0    O     = 1.00
  12 0.2531  0.4037  0.7809   0.0    O     = 1.00
  13 0.3987  0.2396  0.7897   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0435
     2       2     0.3333     0.6667     0.0   
     3       3     0.3333     0.6667     0.5345
     4       4     0.3333     0.6667     0.3867
     5       5     0.0024     0.2049     0.7936
     6       6     0.1963     0.6289     0.0   
     7       7     0.1937     0.5881     0.5763
     8       8     0.0045     0.1356     0.4319
     9       9     0.1356     0.1355     0.6479
    10      10     0.0179     0.3452     0.9834
    11      11     0.9859     0.3327     0.6148
    12      12     0.2531     0.4037     0.7809
    13      13     0.3987     0.2396     0.7897
    14       5     0.7951     0.7975     0.7936
    15       5     0.2025     0.9976     0.7936
    16       6     0.3711     0.5674     0.0   
    17       6     0.4326     0.8037     0.0   
    18       7     0.4119     0.6056     0.5763
    19       7     0.3944     0.8063     0.5763
    20       8     0.8644     0.8689     0.4319
    21       8     0.1311     0.9955     0.4319
    22       9     0.8645     0.0        0.6479
    23       9     0.0        0.8644     0.6479
    24      10     0.6548     0.6727     0.9834
    25      10     0.3273     0.9821     0.9834
    26      11     0.6673     0.6532     0.6148
    27      11     0.3468     0.0141     0.6148
    28      12     0.5963     0.8494     0.7809
    29      12     0.1506     0.7469     0.7809
    30      13     0.7604     0.1591     0.7897
    31      13     0.8409     0.6013     0.7897
    32       1     0.0        0.0        0.5435
    33       2     0.6667     0.3333     0.5   
    34       3     0.6667     0.3333     0.0345
    35       4     0.6667     0.3333     0.8867
    36       5     0.9976     0.7951     0.2936
    37       6     0.8037     0.3711     0.5   
    38       7     0.8063     0.4119     0.0763
    39       8     0.9955     0.8644     0.9319
    40       9     0.8644     0.8645     0.1479
    41      10     0.9821     0.6548     0.4834
    42      11     0.0141     0.6673     0.1148
    43      12     0.7469     0.5963     0.2809
    44      13     0.6013     0.7604     0.2897
    45       5     0.2049     0.2025     0.2936
    46       5     0.7975     0.0024     0.2936
    47       6     0.6289     0.4326     0.5   
    48       6     0.5674     0.1963     0.5   
    49       7     0.5881     0.3944     0.0763
    50       7     0.6056     0.1937     0.0763
    51       8     0.1356     0.1311     0.9319
    52       8     0.8689     0.0045     0.9319
    53       9     0.1355     0.0        0.1479
    54       9     0.0        0.1356     0.1479
    55      10     0.3452     0.3273     0.4834
    56      10     0.6727     0.0179     0.4834
    57      11     0.3327     0.3468     0.1148
    58      11     0.6532     0.9859     0.1148
    59      12     0.4037     0.1506     0.2809
    60      12     0.8494     0.2531     0.2809
    61      13     0.2396     0.8409     0.2897
    62      13     0.1591     0.3987     0.2897


X-ray density (g/cm cub.)   =      1.85

MU (1/cm) =     127.293    Mass attenuation coefficient (cm**2/g) =     68.873

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

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

    1    Mn                  2.724        6
                                                 1.8842       8
                                                 1.8572       9
                                                 1.8842       8
                                                 1.8843       8
                                                 1.8568       9
                                                 1.8576       9
    2    C                   1.872        3
                                                 1.3558       6
                                                 1.3561       6
                                                 1.3559       6
    3    S                   1.98         4
                                                 1.5519       4
                                                 1.4109       7
                                                 1.4111       7
                                                 1.4109       7
    4    O                   3.264        6
                                                 2.4003       7
                                                 2.4004       7
                                                 2.4003       7
                                                 2.797       13
                                                 2.797       13
                                                 2.797       13
    5    Ca                  2.88         8
                                                 2.4961       9
                                                 2.4785      10
                                                 2.4112      11
                                                 2.5385      12
                                                 2.5191       9
                                                 2.4629      13
                                                 2.4794       8
                                                 2.4349       8
    6    O                   3.264        5
                                                 2.7528      10
                                                 2.3485       6
                                                 2.3485       6
                                                 2.8126      12
                                                 2.5593      11
    7    O                   3.264        7
                                                 2.4003       4
                                                 2.633       11
                                                 3.2475      12
                                                 2.3226       7
                                                 2.3226       7
                                                 2.9604      12
                                                 2.9494      10
    8    O                   3.264        8
                                                 2.6922       9
                                                 2.9885      11
                                                 2.5557       8
                                                 2.5557       8
                                                 2.7328       9
                                                 2.9824       9
                                                 3.0619      12
                                                 2.9402      13
    9    O                   3.264        9
                                                 2.6922       8
                                                 2.9297      12
                                                 2.9427      13
                                                 2.7326       8
                                                 2.5967       9
                                                 2.5967       9
                                                 3.243       11
                                                 2.9824       8
                                                 2.8178      10
   10    O                   3.264        5
                                                 2.7528       6
                                                 3.166       12
                                                 3.2592      13
                                                 2.9494       7
                                                 2.8174       9
   11    O                   3.264        6
                                                 2.633        7
                                                 2.9885       8
                                                 3.1735      12
                                                 3.2439       9
                                                 2.9139      13
                                                 2.5593       6
   12    O                   3.264        8
                                                 3.2475       7
                                                 2.9297       9
                                                 3.166       10
                                                 3.1735      11
                                                 2.9696      13
                                                 2.8126       6
                                                 2.9604       7
                                                 3.0617       8
   13    O                   3.264        6
                                                 2.9427       9
                                                 2.9696      12
                                                 3.2592      10
                                                 2.9139      11
                                                 2.797        4
                                                 2.9402       8

  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  4.613   9.225   0.052  306.26    6      103.0     1577.1
    2   1   0   1  6.249  12.498   0.071  165.82   12       22.7       82.8
    3   1   1   0  8.007  16.014   0.09   100.14    6      105.4      539.6
    4   0   0   2  8.437  16.874   0.095   89.97    2       41.4       24.9
    5   1   1   1  9.058  18.115   0.102   77.77   12       39.4      116.9
    6   2   0   0  9.256  18.511   0.104   74.38    6       15.2        8.4
    7   1   0   2  9.632  19.263   0.109   68.52   12       41.2      112.9
    8   2   0   1 10.182  20.364   0.115   61.08   12       29.9       53.1
    9   1   1   2 11.672  23.344   0.131   45.98   12      117.7      617.7
   10   1   2   0 12.285  24.57    0.138   41.3     6       14.7        4.3
   11   2   1   0 12.285  24.57    0.138   41.3     6        0.7        0.0
   12   2   0   2 12.574  25.149   0.141   39.33   12       79.7      242.3
   13   1   2   1 13.007  26.013   0.146   36.63   12       73.5      191.8
   14   2   1   1 13.007  26.013   0.146   36.63   12       48.1       82.1
   15   1   0   3 13.551  27.102   0.152   33.58   12       35.6       41.4
   16   3   0   0 13.961  27.922   0.157   31.52    6       99.1      150.3
   17   3   0   1 14.606  29.211   0.164   28.63   12       11.1        3.4
   18   1   2   2 14.978  29.957   0.168   27.13   12       21.0       11.6
   19   2   1   2 14.978  29.957   0.168   27.13   12       26.4       18.3
   20   1   1   3 15.097  30.194   0.169   26.67   12       28.9       21.6
   21   2   0   3 15.818  31.637   0.177   24.13   12       22.7       12.1
   22   2   2   0 16.176  32.351   0.181   22.99    6       18.6        3.9
   23   3   0   2 16.402  32.803   0.183   22.31   12      134.4      390.9
   24   2   2   1 16.743  33.486   0.187   21.34   12       22.7       10.6
   25   1   3   0 16.855  33.711   0.188   21.03    6       21.7        4.8
   26   3   1   0 16.855  33.711   0.188   21.03    6        0.7        0.0
   27   0   0   4 17.064  34.128   0.19    20.47    2      185.3      113.6
   28   1   3   1 17.403  34.806   0.194   19.61   12       37.5       26.7
   29   3   1   1 17.403  34.806   0.194   19.61   12       55.9       59.4
   30   1   0   4 17.714  35.427   0.197   18.87   12       10.2        1.9
   31   1   2   3 17.825  35.651   0.199   18.61   12       90.3      147.2
   32   2   1   3 17.825  35.651   0.199   18.61   12       96.6      168.4
   33   2   2   2 18.352  36.704   0.204   17.46   12       37.6       24.0
   34   4   0   0 18.764  37.529   0.209   16.63    6        5.1        0.2
   35   1   1   4 18.955  37.91    0.211   16.26   12       28.2       12.5
   36   1   3   2 18.963  37.927   0.211   16.24   12       66.4       69.5
   37   3   1   2 18.963  37.927   0.211   16.24   12       59.5       55.8
   38   3   0   3 19.06   38.12    0.212   16.06   12       13.9        3.0
   39   4   0   1 19.265  38.53    0.214   15.69   12       12.5        2.4
   40   2   0   4 19.55   39.1     0.217   15.18   12       31.3       14.5
   41   2   3   0 20.52   41.041   0.228   13.63    6       59.7       23.6
   42   3   2   0 20.52   41.041   0.228   13.63    6       45.2       13.5
   43   4   0   2 20.705  41.41    0.23    13.36   12       43.5       24.5
   44   2   2   3 20.795  41.59    0.23    13.23   12      142.1      259.2
   45   2   3   1 20.986  41.971   0.232   12.97   12       60.2       45.5
   46   3   2   1 20.986  41.971   0.232   12.97   12       81.6       83.8
   47   1   2   4 21.251  42.503   0.235   12.61   12       16.2        3.2
   48   2   1   4 21.251  42.503   0.235   12.61   12       21.0        5.4
   49   1   3   3 21.347  42.695   0.236   12.48   12       83.5       84.4
   50   3   1   3 21.347  42.695   0.236   12.48   12       83.8       85.0
   51   1   4   0 21.625  43.25    0.239   12.12    6       59.7       20.9
   52   4   1   0 21.625  43.25    0.239   12.12    6       51.0       15.3
   53   1   0   5 22.056  44.112   0.244   11.6    12       54.7       33.6
   54   1   4   1 22.071  44.143   0.244   11.58   12       15.6        2.7
   55   4   1   1 22.071  44.143   0.244   11.58   12       33.1       12.3
   56   3   0   4 22.327  44.653   0.247   11.28   12       23.9        6.3
   57   2   3   2 22.334  44.668   0.247   11.27   12       49.5       26.8
   58   3   2   2 22.334  44.668   0.247   11.27   12       68.2       50.9
   59   4   0   3 22.94   45.879   0.253   10.61   12       34.8       12.5
   60   1   1   5 23.101  46.203   0.255   10.45   12       62.3       39.3
   61   1   4   2 23.37   46.739   0.257   10.18   12       45.2       20.1
   62   4   1   2 23.37   46.739   0.257   10.18   12       35.5       12.4
   63   2   0   5 23.61   47.221   0.26     9.94   12       31.7        9.7
   64   5   0   0 23.709  47.419   0.261    9.85    6      168.3      135.3
   65   2   2   4 23.867  47.734   0.263    9.7    12       46.2       20.0
   66   5   0   1 24.125  48.251   0.265    9.47   12       26.8        6.6
   67   1   3   4 24.364  48.728   0.268    9.26   12       56.6       28.8
   68   3   1   4 24.364  48.728   0.268    9.26   12       48.3       20.9
   69   2   3   3 24.45   48.9     0.269    9.18   12       17.8        2.8
   70   3   2   3 24.45   48.9     0.269    9.18   12       15.8        2.2
   71   3   3   0 24.7    49.401   0.271    8.97    6       52.6       12.0
   72   1   2   5 25.09   50.18    0.275    8.66   12       60.4       30.6
   73   2   1   5 25.09   50.18    0.275    8.66   12       70.4       41.6
   74   3   3   1 25.104  50.208   0.275    8.65   12       94.2       74.4
   75   2   4   0 25.185  50.37    0.276    8.58    6       40.8        6.9
   76   4   2   0 25.185  50.37    0.276    8.58    6       21.3        1.9
   77   5   0   2 25.343  50.685   0.278    8.46   12       36.0       10.6
   78   1   4   3 25.42   50.839   0.279    8.41   12       25.6        5.4
   79   4   1   3 25.42   50.839   0.279    8.41   12       17.7        2.6
   80   2   4   1 25.583  51.166   0.28     8.28   12       46.7       17.5
   81   4   2   1 25.583  51.166   0.28     8.28   12       46.7       17.6
   82   4   0   4 25.812  51.623   0.283    8.12   12       63.8       32.1
   83   3   0   5 26.042  52.084   0.285    7.95   12       24.2        4.5
   84   0   0   6 26.114  52.228   0.286    7.9     2      130.3       21.7
   85   3   3   2 26.288  52.576   0.287    7.79   12       98.7       73.6
   86   1   0   6 26.58   53.16    0.29     7.59   12       42.9       13.5
   87   1   5   0 26.6    53.2     0.291    7.58    6       47.2        8.2
   88   5   1   0 26.6    53.2     0.291    7.58    6       44.8        7.4
   89   2   4   2 26.752  53.503   0.292    7.48   12       39.5       11.3
   90   4   2   2 26.752  53.503   0.292    7.48   12       31.9        7.4
   91   1   5   1 26.983  53.966   0.295    7.34   12       30.8        6.8
   92   5   1   1 26.983  53.966   0.295    7.34   12       37.1        9.8
   93   2   3   4 27.203  54.407   0.297    7.2    12       23.8        3.9
   94   3   2   4 27.203  54.407   0.297    7.2    12       20.6        3.0
   95   5   0   3 27.283  54.566   0.298    7.15   12       10.3        0.7
   96   2   2   5 27.426  54.851   0.299    7.07   12       10.2        0.7
   97   1   1   6 27.495  54.99    0.3      7.03   12       83.6       47.7
   98   1   3   5 27.876  55.753   0.304    6.81   12       67.4       30.0
   99   3   1   5 27.876  55.753   0.304    6.81   12       57.9       22.1
  100   2   0   6 27.945  55.89    0.304    6.78   12       41.5       11.3
  101   1   4   4 28.105  56.21    0.306    6.69   12       95.2       58.8
  102   4   1   4 28.105  56.21    0.306    6.69   12       89.3       51.8
  103   1   5   2 28.111  56.222   0.306    6.69   12       28.1        5.1
  104   5   1   2 28.111  56.222   0.306    6.69   12       31.5        6.4
  105   3   3   3 28.183  56.365   0.307    6.65   12       26.2        4.4
  106   2   4   3 28.626  57.251   0.311    6.42   12        8.7        0.5
  107   4   2   3 28.626  57.251   0.311    6.42   12       12.3        0.9
  108   6   0   0 28.85   57.7     0.313    6.3     6      137.2       57.5
  109   4   0   5 29.201  58.402   0.317    6.13   12       20.6        2.5
  110   6   0   1 29.213  58.427   0.317    6.13   12        4.4        0.1
  111   1   2   6 29.268  58.535   0.317    6.1    12       30.7        5.6
  112   2   1   6 29.268  58.535   0.317    6.1    12       28.9        5.0
  113   3   4   0 29.286  58.573   0.318    6.09    6       36.2        3.9
  114   4   3   0 29.286  58.573   0.318    6.09    6       31.7        3.0
  115   3   4   1 29.646  59.293   0.321    5.93   12       33.1        6.3
  116   4   3   1 29.646  59.293   0.321    5.93   12       47.8       13.2
  117   5   0   4 29.854  59.707   0.323    5.84   12      131.5       97.8
  118   1   5   3 29.929  59.857   0.324    5.8    12       20.8        2.4
  119   5   1   3 29.929  59.857   0.324    5.8    12       16.2        1.5
  120   3   0   6 30.129  60.257   0.326    5.72   12       50.4       14.1
  121   2   5   0 30.147  60.294   0.326    5.71    6       20.8        1.2
  122   5   2   0 30.147  60.294   0.326    5.71    6       25.5        1.8
  123   6   0   2 30.287  60.574   0.327    5.65   12       55.8       17.0
  124   2   3   5 30.489  60.977   0.329    5.57   12       20.1        2.2
  125   3   2   5 30.489  60.977   0.329    5.57   12       25.5        3.5
  126   2   5   1 30.501  61.002   0.329    5.56   12       12.7        0.9
  127   5   2   1 30.501  61.002   0.329    5.56   12       10.9        0.6
  128   3   3   4 30.705  61.409   0.331    5.48   12       25.6        3.5
  129   3   4   2 30.711  61.421   0.332    5.48   12       25.0        3.3
  130   4   3   2 30.711  61.421   0.332    5.48   12       34.7        6.4
  131   2   4   4 31.125  62.25    0.336    5.32   12       47.8       11.8
  132   4   2   4 31.125  62.25    0.336    5.32   12       44.2       10.1
  133   1   0   7 31.317  62.635   0.337    5.25   12       36.8        6.9
  134   1   4   5 31.329  62.659   0.338    5.24   12       22.5        2.6
  135   4   1   5 31.329  62.659   0.338    5.24   12       69.6       24.6
  136   2   2   6 31.393  62.787   0.338    5.22   12       93.4       44.2
  137   2   5   2 31.548  63.096   0.34     5.16   12       53.2       14.2
  138   5   2   2 31.548  63.096   0.34     5.16   12       63.1       19.9
  139   1   3   6 31.809  63.617   0.342    5.07   12       38.1        7.1
  140   3   1   6 31.809  63.617   0.342    5.07   12       45.0       10.0
  141   1   6   0 31.826  63.653   0.342    5.07    6       33.0        2.7
  142   6   1   0 31.826  63.653   0.342    5.07    6       18.9        0.9
  143   6   0   3 32.028  64.057   0.344    5.0    12       17.0        1.4
  144   1   1   7 32.146  64.292   0.345    4.96   12        4.4        0.1
  145   1   6   1 32.17   64.339   0.346    4.95   12       11.6        0.6
  146   6   1   1 32.17   64.339   0.346    4.95   12       13.0        0.8
  147   1   5   4 32.367  64.735   0.348    4.88   12       39.4        7.4
  148   5   1   4 32.367  64.735   0.348    4.88   12       40.1        7.6
  149   3   4   3 32.439  64.878   0.348    4.86   12       29.6        4.1
  150   4   3   3 32.439  64.878   0.348    4.86   12       31.6        4.7
  151   2   0   7 32.556  65.111   0.349    4.82   12       25.7        3.1
  152   5   0   5 32.975  65.949   0.353    4.69   12       13.2        0.8
  153   4   0   6 33.037  66.074   0.354    4.67   12        8.1        0.3
  154   1   6   2 33.187  66.375   0.355    4.63   12       60.2       16.2
  155   6   1   2 33.187  66.375   0.355    4.63   12       55.7       13.9
  156   2   5   3 33.252  66.504   0.356    4.61   12       56.4       14.2
  157   5   2   3 33.252  66.504   0.356    4.61   12       47.1        9.9
  158   1   2   7 33.77   67.539   0.361    4.46   12       29.1        3.7
  159   2   1   7 33.77   67.539   0.361    4.46   12       45.8        9.1
  160   3   3   5 33.781  67.562   0.361    4.46   12       56.3       13.7
  161   4   4   0 33.86   67.72    0.362    4.44    6       25.9        1.4
  162   2   4   5 34.181  68.362   0.365    4.35   12       22.3        2.1
  163   4   2   5 34.181  68.362   0.365    4.35   12       28.4        3.4
  164   4   4   1 34.192  68.385   0.365    4.35   12       34.1        4.9
  165   2   3   6 34.242  68.484   0.365    4.33   12       52.7       11.7
  166   3   2   6 34.242  68.484   0.365    4.33   12       56.9       13.6
  167   3   5   0 34.259  68.519   0.365    4.33    6        2.2        0.0
  168   5   3   0 34.259  68.519   0.365    4.33    6       11.3        0.3
  169   7   0   0 34.259  68.519   0.365    4.33    6       39.8        3.3
  170   6   0   4 34.384  68.768   0.367    4.3    12       28.2        3.3
  171   3   0   7 34.567  69.134   0.368    4.25   12       15.4        1.0
  172   3   5   1 34.59   69.18    0.369    4.25   12       45.0        8.3
  173   5   3   1 34.59   69.18    0.369    4.25   12       23.4        2.2
  174   7   0   1 34.59   69.18    0.369    4.25   12        8.1        0.3
  175   3   4   4 34.781  69.561   0.37     4.2    12        9.4        0.4
  176   4   3   4 34.781  69.561   0.37     4.2    12       16.3        1.1
  177   1   6   3 34.85   69.7     0.371    4.18   12       12.1        0.6
  178   6   1   3 34.85   69.7     0.371    4.18   12       17.1        1.2
  179   1   4   6 35.034  70.069   0.373    4.14   12       24.7        2.5
  180   4   1   6 35.034  70.069   0.373    4.14   12       31.8        4.0
  181   4   4   2 35.181  70.362   0.374    4.1    12       61.1       14.9
  182   1   5   5 35.367  70.735   0.376    4.06   12       11.8        0.5
  183   5   1   5 35.367  70.735   0.376    4.06   12       21.7        1.9
  184   2   6   0 35.445  70.889   0.376    4.04    6        0.8        0.0
  185   6   2   0 35.445  70.889   0.376    4.04    6        6.6        0.1
  186   2   5   4 35.568  71.135   0.378    4.01   12       18.0        1.3
  187   5   2   4 35.568  71.135   0.378    4.01   12       23.1        2.1
  188   3   5   2 35.573  71.147   0.378    4.01   12       23.3        2.1
  189   5   3   2 35.573  71.147   0.378    4.01   12       25.1        2.4
  190   7   0   2 35.573  71.147   0.378    4.01   12       23.7        2.2
  191   2   2   7 35.748  71.496   0.379    3.97   12       21.1        1.7
  192   2   6   1 35.77   71.541   0.379    3.97   12       76.1       22.3
  193   6   2   1 35.77   71.541   0.379    3.97   12       64.1       15.8
  194   0   0   8 35.936  71.872   0.381    3.93    2      119.5        9.1
  195   1   3   7 36.138  72.275   0.383    3.89   12       31.8        3.8
  196   3   1   7 36.138  72.275   0.383    3.89   12       27.6        2.9
  197   1   0   8 36.325  72.65    0.385    3.85   12       75.0       21.0
  198   5   0   6 36.596  73.193   0.387    3.8    12       59.7       13.1
  199   2   6   2 36.74   73.48    0.388    3.77   12       51.4        9.7
  200   6   2   2 36.74   73.48    0.388    3.77   12       42.7        6.7
  201   4   4   3 36.802  73.605   0.389    3.76   12       86.7       27.4
  202   1   1   8 37.098  74.196   0.392    3.7    12       46.9        7.9
  203   1   6   4 37.12   74.241   0.392    3.7    12       17.4        1.1
  204   6   1   4 37.12   74.241   0.392    3.7    12       28.4        2.9
  205   3   5   3 37.188  74.376   0.392    3.69   12       19.9        1.4
  206   5   3   3 37.188  74.376   0.392    3.69   12        8.8        0.3
  207   7   0   3 37.188  74.376   0.392    3.69   12        5.1        0.1
  208   4   0   7 37.298  74.595   0.393    3.67   12       36.9        4.8
  209   6   0   5 37.309  74.617   0.393    3.66   12       15.8        0.9
  210   3   3   6 37.368  74.735   0.394    3.65   12       54.1       10.4
  211   1   7   0 37.384  74.768   0.394    3.65    6       51.4        4.7
  212   7   1   0 37.384  74.768   0.394    3.65    6       50.0        4.4
  213   2   0   8 37.483  74.965   0.395    3.63   12       12.3        0.5
  214   3   4   5 37.692  75.384   0.397    3.6    12       34.0        4.0
  215   4   3   5 37.692  75.384   0.397    3.6    12       26.4        2.4
  216   1   7   1 37.703  75.406   0.397    3.59   12       59.0       12.1
  217   7   1   1 37.703  75.406   0.397    3.59   12       59.4       12.3
  218   2   4   6 37.751  75.502   0.397    3.59   12       16.4        0.9
  219   4   2   6 37.751  75.502   0.397    3.59   12       28.5        2.8
  220   2   6   3 38.336  76.672   0.403    3.49   12       50.4        8.6
  221   6   2   3 38.336  76.672   0.403    3.49   12       38.9        5.1
  222   2   3   7 38.445  76.889   0.404    3.47   12       71.0       17.0
  223   3   2   7 38.445  76.889   0.404    3.47   12       39.2        5.2
  224   2   5   5 38.456  76.911   0.404    3.47   12       26.6        2.4
  225   5   2   5 38.456  76.911   0.404    3.47   12       10.7        0.4
  226   1   2   8 38.628  77.256   0.405    3.44   12       12.1        0.5
  227   2   1   8 38.628  77.256   0.405    3.44   12        9.3        0.3
  228   1   7   2 38.655  77.31    0.405    3.44   12       51.6        8.9
  229   7   1   2 38.655  77.31    0.405    3.44   12       67.5       15.2
  230   1   5   6 38.894  77.787   0.408    3.4    12       22.7        1.7
  231   5   1   6 38.894  77.787   0.408    3.4    12       23.6        1.8
  232   4   5   0 38.91   77.82    0.408    3.4     6       30.8        1.6
  233   5   4   0 38.91   77.82    0.408    3.4     6       20.3        0.7
  234   4   4   4 39.029  78.058   0.409    3.39   12       47.4        7.4
  235   1   4   7 39.203  78.407   0.41     3.36   12       17.8        1.0
  236   4   1   7 39.203  78.407   0.41     3.36   12       33.4        3.6
  237   4   5   1 39.225  78.45    0.41     3.36   12       29.5        2.8
  238   5   4   1 39.225  78.45    0.41     3.36   12       18.6        1.1
  239   3   0   8 39.385  78.771   0.412    3.34   12       28.2        2.6
  240   3   5   4 39.407  78.814   0.412    3.33   12       16.0        0.8
  241   5   3   4 39.407  78.814   0.412    3.33   12       17.7        1.0
  242   7   0   4 39.407  78.814   0.412    3.33   12       16.9        0.9
  243   3   6   0 39.666  79.332   0.414    3.3     6       95.4       14.6
  244   6   3   0 39.666  79.332   0.414    3.3     6      119.2       22.7
  245   1   6   5 39.969  79.937   0.417    3.26   12       16.2        0.8
  246   6   1   5 39.969  79.937   0.417    3.26   12       19.1        1.2
  247   3   6   1 39.98   79.959   0.417    3.26   12       41.9        5.6
  248   6   3   1 39.98   79.959   0.417    3.26   12       34.7        3.8
  249   8   0   0 40.043  80.085   0.418    3.25    6       43.6        3.0
  250   4   5   2 40.166  80.332   0.419    3.23   12       25.5        2.0
  251   5   4   2 40.166  80.332   0.419    3.23   12       35.2        3.9
  252   1   7   3 40.227  80.453   0.419    3.23   12       16.8        0.9
  253   7   1   3 40.227  80.453   0.419    3.23   12       24.3        1.8
  254   8   0   1 40.355  80.711   0.42     3.21   12       18.1        1.0
  255   2   2   8 40.515  81.029   0.422    3.19   12       33.7        3.5
  256   2   6   4 40.536  81.073   0.422    3.19   12       28.0        2.4
  257   6   2   4 40.536  81.073   0.422    3.19   12       19.6        1.2
  258   5   0   7 40.709  81.418   0.423    3.17   12       13.6        0.6
  259   6   0   6 40.777  81.554   0.424    3.16   12       21.5        1.4
  260   1   3   8 40.889  81.779   0.425    3.15   12       12.1        0.4
  261   3   1   8 40.889  81.779   0.425    3.15   12       18.8        1.1
  262   3   6   2 40.916  81.833   0.425    3.15   12       60.9       11.3
  263   6   3   2 40.916  81.833   0.425    3.15   12       56.6        9.8
  264   3   4   6 41.151  82.303   0.427    3.12   12       39.6        4.8
  265   4   3   6 41.151  82.303   0.427    3.12   12       42.5        5.5
  266   2   7   0 41.168  82.335   0.427    3.12    6       20.0        0.6
  267   7   2   0 41.168  82.335   0.427    3.12    6       19.1        0.5
  268   8   0   2 41.29   82.581   0.428    3.11   12       12.0        0.4
  269   3   3   7 41.457  82.914   0.43     3.09   12       65.1       12.7
  270   2   7   1 41.479  82.957   0.43     3.09   12       40.9        5.0
  271   7   2   1 41.479  82.957   0.43     3.09   12       34.1        3.5
  272   1   0   9 41.692  83.383   0.432    3.07   12       23.1        1.6
  273   4   5   3 41.724  83.447   0.432    3.06   12       17.9        1.0
  274   5   4   3 41.724  83.447   0.432    3.06   12       39.7        4.7
  275   2   4   7 41.83   83.66    0.433    3.05   12       36.0        3.8
  276   4   2   7 41.83   83.66    0.433    3.05   12       49.5        7.3
  277   4   4   5 41.841  83.682   0.433    3.05   12       28.6        2.4
  278   2   5   6 41.898  83.796   0.433    3.05   12       70.0       14.5
  279   5   2   6 41.898  83.796   0.433    3.05   12       72.3       15.5
  280   4   0   8 42.01   84.02    0.434    3.04   12       46.4        6.4
  281   3   5   5 42.213  84.427   0.436    3.02   12       25.7        1.9
  282   5   3   5 42.213  84.427   0.436    3.02   12       18.7        1.0
  283   7   0   5 42.213  84.427   0.436    3.02   12       16.6        0.8
  284   1   7   4 42.404  84.807   0.438    3.0    12        3.5        0.0
  285   7   1   4 42.404  84.807   0.438    3.0    12       18.0        0.9
  286   2   7   2 42.409  84.818   0.438    3.0    12       40.7        4.8
  287   7   2   2 42.409  84.818   0.438    3.0    12       36.8        4.0
  288   1   1   9 42.437  84.873   0.438    3.0    12        2.7        0.0
  289   3   6   3 42.469  84.937   0.438    3.0    12       13.3        0.5
  290   6   3   3 42.469  84.937   0.438    3.0    12       11.7        0.4
  291   2   0   9 42.808  85.617   0.441    2.97   12        7.5        0.2
  292   8   0   3 42.84   85.681   0.441    2.97   12        3.0        0.0
  293   1   5   7 42.947  85.893   0.442    2.96   12       42.1        5.1
  294   5   1   7 42.947  85.893   0.442    2.96   12       19.6        1.1
  295   2   3   8 43.126  86.251   0.444    2.94   12       22.7        1.5
  296   3   2   8 43.126  86.251   0.444    2.94   12       24.0        1.6
  297   2   6   5 43.329  86.657   0.445    2.93   12       54.9        8.6
  298   6   2   5 43.329  86.657   0.445    2.93   12       67.3       12.9
  299   1   6   6 43.385  86.771   0.446    2.93   12       21.1        1.3
  300   6   1   6 43.385  86.771   0.446    2.93   12       28.2        2.3
  301   1   8   0 43.402  86.803   0.446    2.92    6       49.9        3.5
  302   8   1   0 43.402  86.803   0.446    2.92    6       29.0        1.2
  303   1   8   1 43.71   87.421   0.449    2.9    12       34.0        3.3
  304   8   1   1 43.71   87.421   0.449    2.9    12       27.2        2.1
  305   1   4   8 43.868  87.735   0.45     2.89   12       86.1       20.8
  306   4   1   8 43.868  87.735   0.45     2.89   12       79.9       17.9
  307   4   5   4 43.889  87.778   0.45     2.89   12       60.1       10.1
  308   5   4   4 43.889  87.778   0.45     2.89   12       54.6        8.3
  309   1   2   9 43.922  87.844   0.45     2.89   12       54.3        8.3
  310   2   1   9 43.922  87.844   0.45     2.89   12       39.1        4.3
  311   2   7   3 43.954  87.908   0.451    2.89   12       44.0        5.4
  312   7   2   3 43.954  87.908   0.451    2.89   12       35.9        3.6
  313   5   5   0 44.143  88.287   0.452    2.88    6       84.2        9.9
  314   5   5   1 44.452  88.904   0.455    2.86   12       27.4        2.1
  315   4   6   0 44.514  89.028   0.455    2.85    6       17.4        0.4
  316   6   4   0 44.514  89.028   0.455    2.85    6       19.7        0.5
  317   3   6   4 44.63   89.261   0.456    2.85   12       47.0        6.1
  318   6   3   4 44.63   89.261   0.456    2.85   12       68.7       13.0
  319   1   8   2 44.636  89.271   0.456    2.85   12       38.2        4.0
  320   8   1   2 44.636  89.271   0.456    2.85   12       43.6        5.2
  321   3   0   9 44.663  89.327   0.456    2.85   12       14.8        0.6
  322   6   0   7 44.801  89.602   0.457    2.84   12       18.5        0.9
  323   4   6   1 44.822  89.645   0.458    2.84   12       28.3        2.2
  324   6   4   1 44.822  89.645   0.458    2.84   12       21.8        1.3


  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   1   0   0   4.613   9.225  9.57824     1577.1    100.0    100.0     5.6
    2   1   0   1   6.249  12.498  7.07632       82.8      5.2      5.2     5.6
    3   1   1   0   8.007  16.014  5.53         539.6     34.2     34.1     5.6
    4   0   0   2   8.437  16.874  5.25          24.9      1.6      1.6     5.6
    5   1   1   1   9.058  18.115  4.89289      116.9      7.4      7.4     5.6
    6   1   0   2   9.632  19.263  4.60379      112.9      7.2      7.1     5.6
    7   2   0   1  10.182  20.364  4.35729       53.1      3.4      3.3     5.6
    8   1   1   2  11.672  23.344  3.80745      617.7     39.2     38.8     5.6
    9   2   0   2  12.574  25.149  3.53816      242.3     15.4     15.2     5.6
   10   1   2   1  13.007  26.013  3.42252      273.9     17.4     17.2     5.6
   11   1   0   3  13.551  27.102  3.2874        41.4      2.6      2.6     5.6
   12   3   0   0  13.961  27.922  3.19275      150.3      9.5      9.4     5.6
   13   2   1   2  14.978  29.957  2.98034       29.9      1.9      1.9     5.6
   14   1   1   3  15.097  30.194  2.95743       21.6      1.4      1.3     5.6
   15   3   0   2  16.402  32.803  2.72791      390.9     24.8     24.4     5.6
   16   0   0   4  17.064  34.128  2.625        113.6      7.2      7.1     5.7
   17   3   1   1  17.403  34.806  2.57538       86.1      5.5      5.4     5.7
   18   2   1   3  17.825  35.651  2.51631      315.5     20.0     19.6     5.7
   19   2   2   2  18.352  36.704  2.44644       24.0      1.5      1.5     5.7
   20   3   1   2  18.963  37.927  2.37035      137.8      8.7      8.6     5.7
   21   2   3   0  20.52   41.041  2.1974        37.1      2.4      2.3     5.7
   22   4   0   2  20.705  41.41   2.17864       24.5      1.6      1.5     5.7
   23   2   2   3  20.795  41.59   2.16965      259.2     16.4     16.0     5.7
   24   3   2   1  20.986  41.971  2.15081      129.3      8.2      8.0     5.7
   25   3   1   3  21.347  42.695  2.11604      169.4     10.7     10.5     5.7
   26   1   4   0  21.625  43.25   2.09014       36.3      2.3      2.2     5.7
   27   1   0   5  22.056  44.112  2.05128       48.7      3.1      3.0     5.7
   28   3   2   2  22.334  44.668  2.02701       84.0      5.3      5.2     5.7
   29   1   1   5  23.101  46.203  1.96321       39.3      2.5      2.4     5.7
   30   1   4   2  23.37   46.739  1.9419        32.6      2.1      2.0     5.7
   31   5   0   0  23.709  47.419  1.91565      135.3      8.6      8.3     5.7
   32   2   2   4  23.867  47.734  1.90373       20.0      1.3      1.2     5.7
   33   1   3   4  24.364  48.728  1.8672        49.7      3.2      3.1     5.7
   34   3   3   1  25.104  50.208  1.81557      146.7      9.3      9.0     5.8
   35   4   2   1  25.583  51.166  1.78381       35.1      2.2      2.1     5.8
   36   4   0   4  25.812  51.623  1.76908       32.1      2.0      2.0     5.8
   37   0   0   6  26.114  52.228  1.75          21.7      1.4      1.3     5.8
   38   3   3   2  26.288  52.576  1.73924       73.6      4.7      4.5     5.8
   39   1   0   6  26.58   53.16   1.7215        29.1      1.8      1.8     5.8
   40   2   4   2  26.752  53.503  1.71126       18.7      1.2      1.1     5.8
   41   5   1   1  26.983  53.966  1.69767       16.6      1.0      1.0     5.8
   42   1   1   6  27.495  54.99   1.66845       47.7      3.0      2.9     5.8
   43   1   3   5  27.876  55.753  1.64743       52.2      3.3      3.2     5.8
   44   1   4   4  28.105  56.21   1.63512      122.1      7.7      7.4     5.8
   45   6   0   0  28.85   57.7    1.59637       57.5      3.6      3.5     5.8
   46   1   2   6  29.268  58.535  1.57557       17.4      1.1      1.1     5.8
   47   4   3   1  29.646  59.293  1.55724       19.4      1.2      1.2     5.8
   48   5   0   4  29.854  59.707  1.54741       97.8      6.2      5.9     5.8
   49   3   0   6  30.129  60.257  1.5346        17.1      1.1      1.0     5.8
   50   6   0   2  30.287  60.574  1.52733       17.0      1.1      1.0     5.8
   51   2   4   4  31.125  62.25   1.49017       21.9      1.4      1.3     5.8
   52   4   1   5  31.329  62.659  1.48143       34.1      2.2      2.1     5.8
   53   2   2   6  31.393  62.787  1.47872       44.2      2.8      2.7     5.9
   54   5   2   2  31.548  63.096  1.47221       34.1      2.2      2.1     5.9
   55   3   1   6  31.809  63.617  1.4614        20.7      1.3      1.2     5.9
   56   1   6   2  33.187  66.375  1.40722       30.2      1.9      1.8     5.9
   57   2   5   3  33.252  66.504  1.40478       24.1      1.5      1.4     5.9
   58   3   3   5  33.781  67.562  1.38534       26.4      1.7      1.6     5.9
   59   3   2   6  34.242  68.484  1.36892       28.9      1.8      1.7     5.9
   60   6   2   1  35.77   71.541  1.31776       39.9      2.5      2.4     5.9
   61   1   0   8  36.325  72.65   1.30035       21.0      1.3      1.2     6.0
   62   2   6   2  36.74   73.48   1.28769       16.3      1.0      1.0     6.0
   63   4   4   3  36.802  73.605  1.28582       27.4      1.7      1.6     6.0
   64   3   3   6  37.368  74.735  1.26915       19.5      1.2      1.1     6.0
   65   7   1   1  37.703  75.406  1.25951       30.9      2.0      1.8     6.0
   66   2   3   7  38.445  76.889  1.23888       24.9      1.6      1.5     6.0
   67   7   1   2  38.655  77.31   1.23317       24.1      1.5      1.4     6.0
   68   6   3   0  39.666  79.332  1.20675       37.3      2.4      2.2     6.0
   69   6   3   2  40.916  81.833  1.17608       22.2      1.4      1.3     6.1
   70   3   3   7  41.457  82.914  1.16346       21.2      1.3      1.2     6.1
   71   5   2   6  41.898  83.796  1.15345       30.0      1.9      1.7     6.1
   72   6   2   5  43.329  86.657  1.12256       21.4      1.4      1.2     6.1
   73   1   4   8  43.868  87.735  1.11152       57.2      3.6      3.3     6.2
   74   6   3   4  44.63   89.261  1.09644       28.4      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)