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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PELLYITE

1

Ba(2)Ca(Fe,Mg)(2)Si(6)O(17)


Orthorhombic  C mcm  Z = 4

R =0.032          NR =648

13 .3 .1991

Ref.Str.:

         Meagher E.P. (1976)

         * Amer. Mineral., 61, 67-73

Reserv:

         See U(ij) in the original

                   Initial data from BDM-file 

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

             a =  15.677    alpha =   90.0 
             b =   7.15     beta  =   90.0 
             c =  14.209    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1592.69

    Molar volume ( cub.cm/mol.) =   239.83

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

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

   1 0.1374  0.3326  0.25     0.95   Ba    = 1.00
   2 0.5     0.0     0.0      0.76   Ca    = 1.00
   3 0.2922  0.0     0.0      0.59   Fe    = 0.74, Mg    = 0.11, Mn    = 0.15
   4 0.3477  0.2982  0.1413   0.6    Si    = 0.95, Al    = 0.05
   5 0.0     0.0612  0.108    0.53   Si    = 1.00
   6 0.0     0.0     0.0      2.58   O     = 1.00
   7 0.3853  0.1303  0.0798   1.24   O     = 1.00
   8 0.0867  0.9736  0.1521   1.95   O     = 1.00
   9 0.2559  0.369   0.1079   1.74   O     = 1.00
  10 0.333   0.2189  0.25     1.38   O     = 1.00
  11 0.0     0.2804  0.1286   1.02   O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1374     0.3326     0.25  
     2       2     0.5        0.0        0.0   
     3       3     0.2922     0.0        0.0   
     4       4     0.3477     0.2982     0.1413
     5       5     0.0        0.0612     0.108 
     6       6     0.0        0.0        0.0   
     7       7     0.3853     0.1303     0.0798
     8       8     0.0867     0.9736     0.1521
     9       9     0.2559     0.369      0.1079
    10      10     0.333      0.2189     0.25  
    11      11     0.0        0.2804     0.1286
    12       1     0.8626     0.6674     0.75  
    13       2     0.5        0.0        0.5   
    14       3     0.7078     0.0        0.5   
    15       4     0.6523     0.7018     0.6413
    16       5     0.0        0.9388     0.608 
    17       6     0.0        0.0        0.5   
    18       7     0.6147     0.8697     0.5798
    19       8     0.9133     0.0264     0.6521
    20       9     0.7441     0.631      0.6079
    21      10     0.667      0.7811     0.75  
    22      11     0.0        0.7196     0.6286
    23       1     0.8626     0.3326     0.25  
    24       3     0.7078     0.0        0.0   
    25       4     0.6523     0.2982     0.1413
    26       7     0.6147     0.1303     0.0798
    27       8     0.9133     0.9736     0.1521
    28       9     0.7441     0.369      0.1079
    29      10     0.667      0.2189     0.25  
    30       1     0.1374     0.6674     0.75  
    31       3     0.2922     0.0        0.5   
    32       4     0.3477     0.7018     0.6413
    33       7     0.3853     0.8697     0.5798
    34       8     0.0867     0.0264     0.6521
    35       9     0.2559     0.631      0.6079
    36      10     0.333      0.7811     0.75  
    37       4     0.3477     0.2982     0.3587
    38       5     0.0        0.0612     0.392 
    39       7     0.3853     0.1303     0.4202
    40       8     0.0867     0.9736     0.3479
    41       9     0.2559     0.369      0.3921
    42      11     0.0        0.2804     0.3714
    43       4     0.6523     0.7018     0.8587
    44       5     0.0        0.9388     0.892 
    45       7     0.6147     0.8697     0.9202
    46       8     0.9133     0.0264     0.8479
    47       9     0.7441     0.631      0.8921
    48      11     0.0        0.7196     0.8714
    49       4     0.6523     0.2982     0.3587
    50       7     0.6147     0.1303     0.4202
    51       8     0.9133     0.9736     0.3479
    52       9     0.7441     0.369      0.3921
    53       4     0.3477     0.7018     0.8587
    54       7     0.3853     0.8697     0.9202
    55       8     0.0867     0.0264     0.8479
    56       9     0.2559     0.631      0.8921
    57       1     0.3626     0.1674     0.75  
    58       2     0.0        0.5        0.5   
    59       3     0.2078     0.5        0.5   
    60       4     0.1523     0.2018     0.6413
    61       5     0.5        0.4388     0.608 
    62       6     0.5        0.5        0.5   
    63       7     0.1147     0.3697     0.5798
    64       8     0.4133     0.5264     0.6521
    65       9     0.2441     0.131      0.6079
    66      10     0.167      0.2811     0.75  
    67      11     0.5        0.2196     0.6286
    68       1     0.6374     0.8326     0.25  
    69       2     0.0        0.5        0.0   
    70       3     0.7922     0.5        0.0   
    71       4     0.8477     0.7982     0.1413
    72       5     0.5        0.5612     0.108 
    73       6     0.5        0.5        0.0   
    74       7     0.8853     0.6303     0.0798
    75       8     0.5867     0.4736     0.1521
    76       9     0.7559     0.869      0.1079
    77      10     0.833      0.7189     0.25  
    78      11     0.5        0.7804     0.1286
    79       1     0.6374     0.1674     0.75  
    80       3     0.7922     0.5        0.5   
    81       4     0.8477     0.2018     0.6413
    82       7     0.8853     0.3697     0.5798
    83       8     0.5867     0.5264     0.6521
    84       9     0.7559     0.131      0.6079
    85      10     0.833      0.2811     0.75  
    86       1     0.3626     0.8326     0.25  
    87       3     0.2078     0.5        0.0   
    88       4     0.1523     0.7982     0.1413
    89       7     0.1147     0.6303     0.0798
    90       8     0.4133     0.4736     0.1521
    91       9     0.2441     0.869      0.1079
    92      10     0.167      0.7189     0.25  
    93       4     0.1523     0.2018     0.8587
    94       5     0.5        0.4388     0.892 
    95       7     0.1147     0.3697     0.9202
    96       8     0.4133     0.5264     0.8479
    97       9     0.2441     0.131      0.8921
    98      11     0.5        0.2196     0.8714
    99       4     0.8477     0.7982     0.3587
   100       5     0.5        0.5612     0.392 
   101       7     0.8853     0.6303     0.4202
   102       8     0.5867     0.4736     0.3479
   103       9     0.7559     0.869      0.3921
   104      11     0.5        0.7804     0.3714
   105       4     0.8477     0.2018     0.8587
   106       7     0.8853     0.3697     0.9202
   107       8     0.5867     0.5264     0.8479
   108       9     0.7559     0.131      0.8921
   109       4     0.1523     0.7982     0.3587
   110       7     0.1147     0.6303     0.4202
   111       8     0.4133     0.4736     0.3479
   112       9     0.2441     0.869      0.3921


X-ray density (g/cm cub.)   =      3.58

MU (1/cm) =     586.833    Mass attenuation coefficient (cm**2/g) =    163.766

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

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

    1    Ba                  3.288       10
                                                 3.0258       8
                                                 2.756        9
                                                 3.1724      10
                                                 2.7847      11
                                                 3.0258       8
                                                 2.756        9
                                                 2.7847      11
                                                 3.2413       7
                                                 2.8008      10
                                                 3.2413       7
    2    Ca                  2.88         6
                                                 2.321        7
                                                 2.321        7
                                                 2.321        7
                                                 2.321        7
                                                 2.4092      11
                                                 2.4092      11
    3   Fe   ,Mg   ,Mn       2.724        4
                                                 2.0698       7
                                                 2.0698       7
                                                 1.9485       9
                                                 1.9485       9
    4   Si   ,Al             2.316        4
                                                 1.5976       7
                                                 1.5977       9
                                                 1.6614      10
                                                 1.6291       8
    5    Si                  2.1          4
                                                 1.5957       6
                                                 1.6225       8
                                                 1.5944      11
                                                 1.6225       8
    6    O                   3.264        6
                                                 2.56         8
                                                 2.7126      11
                                                 2.56         8
                                                 2.56         8
                                                 2.7126      11
                                                 2.56         8
    7    O                   3.264        6
                                                 2.681        9
                                                 2.631       10
                                                 2.9351       7
                                                 3.158       11
                                                 2.6969       8
                                                 2.924        9
    8    O                   3.264        7
                                                 2.56         6
                                                 2.6021      11
                                                 2.7184       8
                                                 2.7821       8
                                                 2.6969       7
                                                 2.6538       9
                                                 2.6146      10
    9    O                   3.264        4
                                                 2.681        7
                                                 2.5864      10
                                                 2.924        7
                                                 2.6538       8
   10    O                   3.264        6
                                                 2.631        7
                                                 2.5864       9
                                                 2.631        7
                                                 2.5864       9
                                                 2.6146       8
                                                 2.6146       8
   11    O                   3.264        5
                                                 2.7126       6
                                                 2.6021       8
                                                 2.6021       8
                                                 3.158        7
                                                 3.158        7

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

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

    1   2   0   0  5.639  11.279   0.064  204.14    2       96.3      149.3
    2   0   0   2  6.224  12.449   0.07   167.17    2      163.8      353.7
    3   1   1   0  6.8    13.6     0.077  139.69    4       64.6       91.9
    4   1   1   1  7.483  14.965   0.085  114.98    8      131.7      628.9
    5   2   0   2  8.414  16.828   0.095   90.47    4       41.9       25.0
    6   1   1   2  9.239  18.477   0.104   74.66    8        3.3        0.3
    7   3   1   0 10.52   21.04    0.119   57.09    4      298.6      802.9
    8   3   1   1 10.979  21.959   0.124   52.24    8        7.7        1.0
    9   4   0   0 11.335  22.669   0.128   48.89    2      270.8      282.7
   10   1   1   3 11.605  23.211   0.131   46.53    8      232.4      792.8
   11   3   1   2 12.26   24.519   0.138   41.48    8       44.0       25.4
   12   0   2   0 12.443  24.885   0.14    40.21    2       38.1        4.6
   13   0   0   4 12.524  25.047   0.141   39.67    2      155.1       75.2
   14   0   2   1 12.837  25.674   0.144   37.65    4      392.2      913.6
   15   4   0   2 12.971  25.942   0.146   36.84    4      570.7     1892.0
   16   2   2   0 13.699  27.397   0.154   32.82    4      120.2       74.8
   17   2   0   4 13.773  27.545   0.155   32.45    4      152.3      118.7
   18   0   2   2 13.958  27.915   0.157   31.54    4      474.8     1121.4
   19   2   2   1 14.06   28.12    0.158   31.05    8      143.1      200.6
   20   3   1   3 14.153  28.305   0.159   30.62    8      397.7     1527.5
   21   1   1   4 14.304  28.608   0.16    29.94    8      331.2     1035.8
   22   2   2   2 15.097  30.194   0.169   26.67    8      100.9       85.6
   23   5   1   0 15.56   31.121   0.174   25.0     4       60.3       14.3
   24   0   2   3 15.661  31.323   0.175   24.65    4      282.7      310.6
   25   5   1   1 15.883  31.766   0.178   23.92    8       63.1       30.0
   26   3   1   4 16.467  32.935   0.184   22.12    8      198.2      274.0
   27   2   2   3 16.695  33.39    0.186   21.47    8      102.6       71.3
   28   5   1   2 16.818  33.637   0.188   21.13    8      162.2      175.4
   29   4   2   0 16.956  33.912   0.189   20.76    4      402.0      529.1
   30   4   0   4 17.017  34.034   0.19    20.6     4      205.8      137.5
   31   6   0   0 17.146  34.292   0.191   20.26    2      333.6      177.7
   32   1   1   5 17.205  34.41    0.192   20.11    8      195.2      241.6
   33   4   2   1 17.255  34.511   0.193   19.98    8      263.8      438.4
   34   0   2   4 17.8    35.599   0.198   18.67    4       59.9       10.5
   35   4   2   2 18.128  36.256   0.202   17.94    8       25.3        3.6
   36   5   1   3 18.283  36.565   0.204   17.61    8      229.9      293.6
   37   6   0   2 18.307  36.614   0.204   17.55    4      131.9       48.2
   38   2   2   4 18.729  37.458   0.208   16.69    8       79.2       33.0
   39   0   0   6 18.982  37.963   0.211   16.21    2      172.4       38.0
   40   3   1   5 19.075  38.15    0.212   16.03    8      356.3      642.1
   41   1   3   0 19.081  38.162   0.212   16.02    4      242.7      148.8
   42   1   3   1 19.352  38.704   0.215   15.53    8       27.1        3.6
   43   4   2   3 19.507  39.013   0.217   15.26    8      335.2      540.7
   44   2   0   6 19.864  39.728   0.221   14.66    4       27.7        1.8
   45   1   3   2 20.146  40.293   0.224   14.2     8      264.5      313.3
   46   5   1   4 20.178  40.356   0.224   14.15    8      140.2       87.8
   47   1   1   6 20.252  40.504   0.225   14.04    8      102.9       46.9
   48   0   2   5 20.259  40.517   0.225   14.03    4       89.5       17.7
   49   3   3   0 20.807  41.614   0.231   13.22    4      101.2       21.3
   50   3   3   1 21.059  42.119   0.233   12.87    8       58.2       13.7
   51   2   2   5 21.096  42.192   0.234   12.82    8        5.3        0.1
   52   7   1   0 21.126  42.252   0.234   12.77    4       52.4        5.5
   53   4   2   4 21.31   42.62    0.236   12.53    8      238.7      225.1
   54   7   1   1 21.375  42.75    0.237   12.44    8      199.1      155.6
   55   1   3   3 21.415  42.831   0.237   12.39    8        3.2        0.0
   56   6   2   0 21.417  42.834   0.237   12.39    4      178.8       62.5
   57   6   0   4 21.467  42.934   0.238   12.32    4      166.1       53.6
   58   6   2   1 21.663  43.327   0.24    12.07    8       89.2       30.3
   59   3   3   2 21.802  43.604   0.241   11.9     8      308.1      356.4
   60   3   1   6 21.901  43.802   0.242   11.78    8      173.8      112.3
   61   7   1   2 22.109  44.218   0.244   11.53    8      251.3      229.6
   62   4   0   6 22.336  44.671   0.247   11.27    4      331.3      195.1
   63   6   2   2 22.39   44.78    0.247   11.21    8      230.1      187.2
   64   5   1   5 22.418  44.835   0.248   11.18    8      125.5       55.5
   65   0   2   6 22.964  45.928   0.253   10.59    4      338.5      191.2
   66   3   3   3 22.997  45.994   0.254   10.55    8       55.0       10.1
   67   1   3   4 23.097  46.194   0.255   10.45    8       96.1       30.5
   68   8   0   0 23.146  46.292   0.255   10.4     2      463.9      176.4
   69   7   1   3 23.292  46.583   0.257   10.25    8      248.0      198.9
   70   1   1   7 23.423  46.846   0.258   10.12    8      180.9      104.5
   71   4   2   5 23.462  46.925   0.258   10.08    8      141.9       64.0
   72   6   2   3 23.561  47.123   0.259    9.99    8      144.0       65.3
   73   2   2   6 23.725  47.449   0.261    9.83    8       69.4       14.9
   74   5   3   0 23.952  47.903   0.264    9.62    4      326.0      161.3
   75   8   0   2 24.064  48.128   0.265    9.52    4      160.3       38.6
   76   5   3   1 24.178  48.356   0.266    9.42    8       75.7       17.0
   77   3   3   4 24.593  49.187   0.27     9.06    8      342.2      334.8
   78   5   3   2 24.847  49.694   0.273    8.85    8       49.4        6.8
   79   7   1   4 24.874  49.748   0.273    8.83    8       92.8       24.0
   80   3   1   7 24.905  49.81    0.273    8.81    8      114.5       36.4
   81   5   1   6 24.936  49.873   0.274    8.78    8      329.8      301.2
   82   1   3   5 25.129  50.259   0.276    8.63    8       21.3        1.2
   83   6   2   4 25.131  50.261   0.276    8.63    8       82.4       18.5
   84   0   4   0 25.526  51.053   0.28     8.33    2       59.0        2.3
   85   0   0   8 25.702  51.403   0.282    8.2     2      672.2      292.0
   86   0   4   1 25.742  51.484   0.282    8.17    4      352.6      160.2
   87   0   2   7 25.873  51.746   0.283    8.07    4      228.6       66.5
   88   4   2   6 25.904  51.808   0.284    8.05    8       46.5        5.5
   89   5   3   3 25.934  51.867   0.284    8.03    8       61.1        9.5
   90   6   0   6 26.039  52.078   0.285    7.96    4       56.8        4.0
   91   2   4   0 26.231  52.462   0.287    7.83    4       53.4        3.5
   92   0   4   2 26.382  52.764   0.288    7.72    4      218.4       58.1
   93   2   0   8 26.403  52.806   0.289    7.71    4       91.6       10.2
   94   2   4   1 26.443  52.885   0.289    7.68    8       21.7        1.1
   95   3   3   5 26.54   53.08    0.29     7.62    8       68.3       11.2
   96   2   2   7 26.571  53.142   0.29     7.6     8      137.1       45.1
   97   8   2   0 26.632  53.264   0.291    7.56    4      130.3       20.2
   98   8   0   4 26.674  53.349   0.291    7.53    4       38.9        1.8
   99   1   1   8 26.715  53.431   0.292    7.51    8       74.5       13.1
  100   7   1   5 26.806  53.612   0.293    7.45    8      281.2      185.7
  101   8   2   1 26.841  53.683   0.293    7.43    8      195.8       89.8
  102   6   2   5 27.049  54.099   0.295    7.3     8       83.3       16.0
  103   2   4   2 27.071  54.142   0.295    7.28    8       44.8        4.6
  104   9   1   0 27.074  54.148   0.295    7.28    4      104.3       12.5
  105   9   1   1 27.281  54.563   0.298    7.16    8      121.1       33.1
  106   5   3   4 27.403  54.806   0.299    7.08    8      212.6      101.0
  107   0   4   3 27.425  54.851   0.299    7.07    4      102.3       11.7
  108   1   3   6 27.462  54.924   0.299    7.05    8      292.8      190.6
  109   8   2   2 27.463  54.927   0.299    7.05    8      118.1       31.0
  110   5   1   7 27.692  55.384   0.302    6.92    8       62.2        8.4
  111   9   1   2 27.897  55.793   0.304    6.8     8      105.6       23.9
  112   3   1   8 28.07   56.14    0.305    6.71    8      158.1       52.9
  113   2   4   3 28.097  56.193   0.306    6.69    8       66.5        9.3
  114   7   3   0 28.162  56.324   0.306    6.66    4      283.5       84.4
  115   4   4   0 28.27   56.54    0.307    6.6     4      191.4       38.1
  116   7   3   1 28.364  56.727   0.308    6.55    8       98.1       19.9
  117   4   0   8 28.434  56.867   0.309    6.51    4       91.8        8.7
  118   4   4   1 28.471  56.943   0.309    6.49    8      207.0       87.8
  119   8   2   3 28.48   56.959   0.31     6.49    8      224.4      103.1
  120   4   2   7 28.594  57.187   0.311    6.43    8      179.7       65.5
  121   3   3   6 28.793  57.585   0.313    6.33    8      349.9      244.5
  122   0   4   4 28.843  57.686   0.313    6.31    4       31.3        1.0
  123   9   1   3 28.903  57.806   0.314    6.28    8       21.0        0.9
  124   7   3   2 28.964  57.928   0.314    6.25    8      149.1       43.8
  125   0   2   8 28.964  57.928   0.314    6.25    4       53.6        2.8
  126   7   1   6 29.044  58.089   0.315    6.21    8      170.6       57.0
  127   4   4   2 29.07   58.14    0.315    6.2     8       27.4        1.5
  128   5   3   5 29.218  58.437   0.317    6.13    8        9.6        0.2
  129   6   2   6 29.276  58.551   0.317    6.1     8       17.3        0.6
  130  10   0   0 29.429  58.858   0.319    6.03    2       62.6        1.9
  131   2   4   4 29.493  58.986   0.32     6.0     8       93.6       16.6
  132   2   2   8 29.612  59.225   0.321    5.94    8       31.2        1.8
  133   8   2   4 29.864  59.729   0.323    5.83    8       75.6       10.5
  134   7   3   3 29.947  59.894   0.324    5.8     8       61.6        6.9
  135   4   4   3 30.051  60.102   0.325    5.75    8      253.6      116.6
  136   1   3   7 30.058  60.115   0.325    5.75    8       52.5        5.0
  137   1   1   9 30.136  60.273   0.326    5.72    8      109.4       21.6
  138  10   0   2 30.21   60.419   0.327    5.68    4      374.8      125.9
  139   9   1   4 30.276  60.551   0.327    5.66    8      134.8       32.4
  140   0   4   5 30.603  61.206   0.33     5.52    4       91.7        7.3
  141   5   1   8 30.66   61.32    0.331    5.5     8       76.1       10.0
  142   8   0   6 30.677  61.354   0.331    5.49    4      304.4       80.3
  143   2   4   5 31.231  62.461   0.337    5.28    8        3.7        0.0
  144   7   3   4 31.292  62.583   0.337    5.26    8      376.2      234.7
  145   3   3   7 31.318  62.637   0.337    5.25    8       29.1        1.4
  146   5   3   6 31.346  62.691   0.338    5.24    8       48.3        3.8
  147   4   4   4 31.393  62.786   0.338    5.22    8      258.4      110.0
  148   3   1   9 31.395  62.79    0.338    5.22    8       56.9        5.3
  149   6   4   0 31.474  62.949   0.339    5.19    4      102.3        8.6
  150   4   2   8 31.508  63.017   0.339    5.18    8      283.1      130.9
  151   7   1   7 31.558  63.115   0.34     5.16    8      234.6       89.6
  152   8   2   5 31.59   63.18    0.34     5.15    8      140.0       31.8
  153   6   0   8 31.628  63.256   0.34     5.14    4      300.6       73.2
  154   6   4   1 31.663  63.326   0.341    5.12    8      227.8       83.8
  155   6   2   7 31.778  63.556   0.342    5.08    8       22.8        0.8
  156   9   1   5 31.988  63.976   0.344    5.01    8       75.2        8.9
  157   6   4   2 32.226  64.452   0.346    4.93    8      113.9       20.2
  158   0   2   9 32.232  64.465   0.346    4.93    4      339.1       89.4
  159  10   2   0 32.446  64.893   0.348    4.86    4      383.9      112.9
  160  10   0   4 32.484  64.968   0.349    4.85    4       16.9        0.2
  161  10   2   1 32.632  65.264   0.35     4.8     8      249.5       94.2
  162   0   4   6 32.677  65.354   0.35     4.78    4      382.4      110.3
  163   1   5   0 32.744  65.489   0.351    4.76    4       76.4        4.4
  164   0   0  10 32.827  65.654   0.352    4.74    2      165.6       10.2
  165   2   2   9 32.843  65.685   0.352    4.73    8       16.7        0.4
  166   1   3   8 32.895  65.789   0.353    4.72    8       92.0       12.6
  167   1   5   1 32.929  65.859   0.353    4.71    8      108.9       17.6
  168   7   3   5 32.974  65.948   0.353    4.69    8       78.6        9.1
  169   4   4   5 33.073  66.146   0.354    4.66    8      156.5       36.0
  170   6   4   3 33.152  66.304   0.355    4.64    8       30.6        1.4
  171  10   2   2 33.186  66.372   0.355    4.63    8       19.1        0.5
  172   9   3   0 33.211  66.422   0.356    4.62    4       43.7        1.4
  173   2   4   6 33.283  66.566   0.356    4.6     8       58.5        5.0
  174   9   3   1 33.395  66.789   0.357    4.57    8       61.8        5.5
  175   2   0  10 33.432  66.863   0.358    4.56    4       37.7        1.0
  176  11   1   0 33.443  66.886   0.358    4.55    4      176.3       22.3
  177   1   5   2 33.48   66.961   0.358    4.54    8       22.7        0.7
  178  11   1   1 33.626  67.252   0.359    4.5     8      149.0       31.5
  179   8   2   6 33.63   67.261   0.36     4.5     8       41.2        2.4
  180   1   1  10 33.703  67.406   0.36     4.48    8       15.8        0.4
  181   5   3   7 33.759  67.519   0.361    4.46    8       50.3        3.6
  182   5   1   9 33.833  67.667   0.361    4.44    8      108.8       16.6
  183   9   3   2 33.942  67.884   0.362    4.41    8       97.0       13.1
  184   3   5   0 33.949  67.899   0.363    4.41    4        0.7        0.0
  185   9   1   6 34.016  68.032   0.363    4.39    8      104.4       15.1
  186   3   3   8 34.097  68.194   0.364    4.37    8       75.8        7.9
  187  10   2   3 34.099  68.197   0.364    4.37    8       20.5        0.6
  188   3   5   1 34.131  68.262   0.364    4.36    8      226.3       70.4
  189  11   1   2 34.172  68.343   0.365    4.35    8      124.2       21.2
  190   7   1   8 34.326  68.652   0.366    4.31    8        7.9        0.1
  191   1   5   3 34.389  68.779   0.367    4.3     8      217.3       64.0
  192   6   4   4 34.427  68.854   0.367    4.29    8       56.2        4.3
  193   6   2   8 34.537  69.074   0.368    4.26    8       81.4        8.9
  194   4   2   9 34.64   69.279   0.369    4.23    8      283.0      106.9
  195   3   5   2 34.673  69.346   0.369    4.22    8       73.0        7.1
  196   9   3   3 34.845  69.69    0.371    4.18    8        5.6        0.0
  197   3   1  10 34.892  69.783   0.371    4.17    8       14.4        0.3
  198   7   3   6 34.973  69.946   0.372    4.15    8      274.4       98.6
  199   0   4   7 35.043  70.086   0.373    4.13    4      279.9       51.1
  200   4   4   6 35.069  70.138   0.373    4.13    8       58.6        4.5
  201  11   1   3 35.072  70.144   0.373    4.13    8      284.3      105.2
  202   4   0  10 35.214  70.428   0.374    4.09    4      494.0      157.5
  203  10   2   4 35.357  70.715   0.376    4.06    8      100.5       12.9
  204   3   5   3 35.567  71.135   0.378    4.01    8      146.1       27.0
  205   2   4   7 35.63   71.259   0.378    4.0     8       37.4        1.8
  206   1   5   4 35.644  71.287   0.378    4.0     8      188.8       44.9
  207   8   4   0 35.681  71.362   0.379    3.99    4      162.5       16.6
  208   0   2  10 35.687  71.374   0.379    3.99    4      356.5       79.9
  209   8   0   8 35.825  71.65    0.38     3.96    4      249.2       38.7
  210   8   4   1 35.858  71.717   0.38     3.95    8      244.4       74.4
  211   1   3   9 35.965  71.93    0.381    3.93    8       29.8        1.1
  212   8   2   7 35.966  71.933   0.381    3.93    8      159.9       31.7
  213   6   4   5 36.035  72.071   0.382    3.91    8       56.4        3.9
  214   9   3   4 36.092  72.185   0.382    3.9     8      180.9       40.3
  215  10   0   6 36.104  72.208   0.382    3.9     4      224.4       31.0
  216  12   0   0 36.13   72.259   0.383    3.89    2       11.2        0.0
  217   2   2  10 36.269  72.538   0.384    3.86    8       61.4        4.6
  218   5   5   0 36.302  72.603   0.384    3.86    4      158.3       15.2
  219  11   1   4 36.316  72.632   0.384    3.85    8       55.6        3.8
  220   9   1   7 36.341  72.681   0.385    3.85    8       56.1        3.8
  221   8   4   2 36.389  72.778   0.385    3.84    8       70.3        6.0
  222   5   3   8 36.445  72.89    0.386    3.83    8      168.2       34.2
  223   5   5   1 36.478  72.956   0.386    3.82    8      121.9       17.9
  224   3   5   4 36.804  73.608   0.389    3.76    8      292.2      101.2
  225  12   0   2 36.834  73.668   0.389    3.75    4       50.3        1.5
  226  10   2   5 36.948  73.896   0.39     3.73    8       85.8        8.7
  227   5   5   2 37.005  74.01    0.391    3.72    8      161.8       30.7
  228   3   3   9 37.122  74.244   0.392    3.7     8      116.6       15.8
  229   5   1  10 37.218  74.436   0.393    3.68    8       67.2        5.2
  230   1   5   5 37.229  74.459   0.393    3.68    8      113.2       14.9
  231   8   4   3 37.266  74.533   0.393    3.67    8       97.9       11.1
  232   7   3   7 37.272  74.544   0.393    3.67    8       47.1        2.6
  233   7   1   9 37.343  74.686   0.394    3.66    8      112.8       14.7
  234   4   4   7 37.366  74.731   0.394    3.65    8      121.1       16.9
  235   1   1  11 37.442  74.884   0.395    3.64    8       48.9        2.7
  236   6   2   9 37.547  75.093   0.396    3.62    8      129.1       19.0
  237   9   3   5 37.671  75.342   0.397    3.6     8       19.0        0.4
  238   0   4   8 37.689  75.378   0.397    3.6     4       87.3        4.3
  239   5   5   3 37.877  75.754   0.399    3.56    8       32.2        1.2
  240  11   1   5 37.891  75.782   0.399    3.56    8      266.7       79.9
  241   6   4   6 37.963  75.925   0.399    3.55    8       39.9        1.8
  242   4   2  10 37.994  75.987   0.4      3.54    8       33.2        1.2
  243   6   0  10 38.103  76.207   0.401    3.53    4      111.9        7.0
  244   2   4   8 38.259  76.519   0.402    3.5     8       14.7        0.2
  245   3   5   5 38.372  76.744   0.403    3.48    8      133.8       19.7
  246   8   4   4 38.482  76.965   0.404    3.47    8       66.7        4.9
  247   3   1  11 38.583  77.165   0.405    3.45    8      132.6       19.1
  248   8   2   8 38.588  77.175   0.405    3.45    8       92.0        9.2
  249  10   2   6 38.859  77.718   0.407    3.41    8       74.6        6.0
  250  12   2   0 38.884  77.768   0.407    3.41    4       16.0        0.1
  251  12   0   4 38.919  77.838   0.408    3.4     4      314.2       52.9
  252   9   1   8 38.953  77.906   0.408    3.4     8       54.0        3.1
  253  11   3   0 39.031  78.062   0.409    3.39    4      113.4        6.9
  254  12   2   1 39.056  78.113   0.409    3.38    8       73.6        5.8
  255   5   5   4 39.087  78.174   0.409    3.38    8       19.6        0.4
  256   1   5   6 39.136  78.271   0.41     3.37    8       77.3        6.4
  257  11   3   1 39.203  78.406   0.41     3.36    8        0.6        0.0
  258   1   3  10 39.275  78.551   0.411    3.35    8      158.9       26.7
  259   0   2  11 39.35   78.699   0.412    3.34    4      183.1       17.7
  260   5   3   9 39.398  78.796   0.412    3.33    8       18.5        0.4
  261   9   3   6 39.57   79.141   0.414    3.31    8       90.1        8.5
  262  12   2   2 39.572  79.143   0.414    3.31    8       83.8        7.3
  263  11   3   2 39.718  79.435   0.415    3.29    8      191.7       38.1
  264   7   5   0 39.725  79.449   0.415    3.29    4        6.9        0.0
  265  11   1   6 39.787  79.574   0.415    3.28    8      121.2       15.2
  266   7   3   8 39.864  79.727   0.416    3.27    8      236.1       57.5
  267   7   5   1 39.896  79.792   0.416    3.27    8      133.5       18.4
  268   2   2  11 39.913  79.825   0.416    3.27    8       31.2        1.0
  269   4   4   8 39.955  79.911   0.417    3.26    8      123.2       15.6
  270   8   4   5 40.029  80.058   0.417    3.25    8      107.0       11.7
  271   6   4   7 40.2    80.399   0.419    3.23    8      126.5       16.3
  272   3   5   6 40.262  80.523   0.42     3.22    8      117.1       13.9
  273   0   6   0 40.27   80.54    0.42     3.22    2      347.9       30.7
  274  13   1   0 40.374  80.747   0.42     3.21    4      107.6        5.9
  275   3   3  10 40.4    80.8     0.421    3.21    8      174.2       30.7
  276   7   5   2 40.408  80.817   0.421    3.2     8      157.1       24.9
  277  12   2   3 40.427  80.853   0.421    3.2     8      157.8       25.2
  278   0   6   1 40.441  80.881   0.421    3.2     4       74.8        2.8
  279  13   1   1 40.544  81.088   0.422    3.19    8       14.1        0.2
  280  11   3   3 40.572  81.144   0.422    3.19    8       13.6        0.2
  281   0   0  12 40.581  81.163   0.422    3.18    2      328.8       27.2
  282   0   4   9 40.614  81.227   0.423    3.18    4      261.9       34.4
  283   7   1  10 40.616  81.232   0.423    3.18    8      194.5       37.9
  284   5   5   5 40.627  81.254   0.423    3.18    8        5.7        0.0
  285  10   4   0 40.809  81.618   0.424    3.16    4      185.6       17.2
  286   6   2  10 40.815  81.63    0.424    3.16    8      239.7       57.2
  287   2   6   0 40.83   81.66    0.424    3.16    4      110.0        6.0
  288   5   1  11 40.835  81.669   0.424    3.16    8       85.4        7.3
  289  10   0   8 40.947  81.895   0.425    3.14    4       91.3        4.1
  290   0   6   2 40.951  81.903   0.425    3.14    4       95.2        4.5
  291  10   4   1 40.979  81.958   0.426    3.14    8      171.6       29.2
  292   2   6   1 41.0    82.0     0.426    3.14    8        2.0        0.0
  293  13   1   2 41.055  82.109   0.426    3.13    8       36.1        1.3
  294  10   2   7 41.083  82.166   0.427    3.13    8      202.9       40.6
  295   2   0  12 41.141  82.281   0.427    3.12    4       73.0        2.6
  296   2   4   9 41.173  82.345   0.427    3.12    8       58.0        3.3
  297   7   5   3 41.259  82.518   0.428    3.11    8      237.2       55.2
  298   1   5   7 41.356  82.711   0.429    3.1     8       50.2        2.5
  299   1   1  12 41.393  82.785   0.429    3.1     8      139.6       19.0
  300  10   4   2 41.489  82.978   0.43     3.09    8       42.7        1.8
  301   8   2   9 41.495  82.99    0.43     3.09    8      196.5       37.6
  302   2   6   2 41.51   83.019   0.43     3.09    8        9.7        0.1
  303   4   2  11 41.591  83.182   0.431    3.08    8      165.2       26.5
  304  12   2   4 41.617  83.234   0.431    3.07    8        4.8        0.0
  305  11   3   4 41.761  83.522   0.432    3.06    8      303.4       88.9
  306   9   3   7 41.785  83.57    0.433    3.06    8        7.2        0.0
  307   0   6   3 41.8    83.6     0.433    3.06    4       46.0        1.0
  308   9   1   9 41.854  83.708   0.433    3.05    8      135.8       17.7
  309   8   4   6 41.9    83.8     0.434    3.05    8      132.4       16.9
  310  13   1   3 41.903  83.806   0.434    3.05    8       33.0        1.0
  311  11   1   7 41.999  83.999   0.434    3.04    8      144.7       20.1
  312   8   0  10 42.038  84.075   0.435    3.03    4       92.1        4.1
  313  12   0   6 42.328  84.657   0.437    3.01    4       97.7        4.5
  314  10   4   3 42.336  84.671   0.437    3.01    8      122.8       14.3
  315   2   6   3 42.356  84.713   0.437    3.01    8       10.1        0.1
  316   7   5   4 42.445  84.89    0.438    3.0     8      109.0       11.2
  317   3   5   7 42.469  84.938   0.438    3.0     8      205.6       40.0
  318   5   5   6 42.493  84.986   0.438    2.99    8      120.9       13.8
  319   4   6   0 42.501  85.003   0.439    2.99    4      185.4       16.2
  320   3   1  12 42.506  85.011   0.439    2.99    8      133.7       16.9
  321   5   3  10 42.63   85.261   0.44     2.98    8        5.7        0.0
  322   4   6   1 42.67   85.341   0.44     2.98    8      114.7       12.4
  323   6   4   8 42.745  85.491   0.441    2.97    8       48.8        2.2
  324   7   3   9 42.751  85.503   0.441    2.97    8       53.5        2.7
  325   4   0  12 42.81   85.62    0.441    2.97    4      180.8       15.3
  326   4   4   9 42.842  85.684   0.441    2.97    8      233.4       51.0
  327   1   3  11 42.847  85.695   0.441    2.97    8       40.0        1.5
  328   0   6   4 42.984  85.968   0.443    2.96    4      310.7       45.0
  329  13   1   4 43.086  86.173   0.443    2.95    8      127.7       15.2
  330  12   2   5 43.139  86.277   0.444    2.94    8      134.8       16.9
  331   4   6   2 43.177  86.354   0.444    2.94    8      266.5       65.9
  332   0   2  12 43.258  86.516   0.445    2.93    4       42.2        0.8
  333  11   3   5 43.282  86.565   0.445    2.93    8       49.3        2.2
  334  14   0   0 43.463  86.925   0.447    2.92    2      364.7       30.6
  335  10   4   4 43.517  87.035   0.447    2.92    8      159.2       23.3
  336   2   6   4 43.538  87.076   0.447    2.91    8       11.4        0.1
  337  10   2   8 43.62   87.24    0.448    2.91    8      255.6       60.0
  338   2   2  12 43.812  87.624   0.449    2.9     8        4.0        0.0
  339   0   4  10 43.83   87.659   0.45     2.9     4      112.3        5.8
  340   1   5   8 43.891  87.782   0.45     2.89    8      113.7       11.8
  341   3   3  11 43.956  87.911   0.451    2.89    8       58.6        3.1
  342   7   5   5 43.964  87.927   0.451    2.89    8      196.3       35.1
  343   4   6   3 44.02   88.039   0.451    2.88    8      119.8       13.1
  344   8   4   7 44.095  88.19    0.452    2.88    8      207.7       39.1
  345  14   0   2 44.137  88.274   0.452    2.88    4       92.6        3.9
  346   7   1  11 44.169  88.338   0.452    2.87    8       99.8        9.0
  347   9   5   0 44.181  88.361   0.452    2.87    4      155.4       10.9
  348   9   3   8 44.317  88.635   0.453    2.87    8       31.3        0.9
  349   9   5   1 44.349  88.698   0.454    2.86    8       48.5        2.1
  350   6   2  11 44.366  88.731   0.454    2.86    8      143.6       18.6
  351   2   4  10 44.383  88.766   0.454    2.86    8       14.9        0.2
  352   0   6   5 44.501  89.002   0.455    2.85    4      101.0        4.6
  353  11   1   8 44.531  89.061   0.455    2.85    8      106.3       10.2
  354  13   1   5 44.603  89.206   0.456    2.85    8      122.6       13.5
  355   5   5   7 44.685  89.371   0.456    2.84    8      101.8        9.3
  356   8   2  10 44.703  89.406   0.457    2.84    8      127.4       14.6
  357   5   1  12 44.722  89.444   0.457    2.84    8       66.5        4.0
  358   9   5   2 44.854  89.709   0.458    2.84    8       63.4        3.6
  359  12   2   6 44.992  89.984   0.459    2.83    8      107.0       10.2
  360   3   5   8 44.998  89.996   0.459    2.83    8       48.9        2.1


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

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

    1   2   0   0   5.639  11.279  7.8385       149.3      7.9      8.0     5.6
    2   0   0   2   6.224  12.449  7.1045       353.7     18.7     18.9     5.6
    3   1   1   0   6.8    13.6    6.50535       91.9      4.9      4.9     5.6
    4   1   1   1   7.483  14.965  5.9149       628.9     33.2     33.5     5.6
    5   2   0   2   8.414  16.828  5.26405       25.0      1.3      1.3     5.6
    6   3   1   0  10.52   21.04   4.21897      802.9     42.4     42.6     5.6
    7   4   0   0  11.335  22.669  3.91925      282.7     14.9     15.0     5.6
    8   1   1   3  11.605  23.211  3.829        792.8     41.9     42.0     5.6
    9   3   1   2  12.26   24.519  3.62755       25.4      1.3      1.3     5.6
   10   0   0   4  12.524  25.047  3.55225       75.2      4.0      4.0     5.6
   11   0   2   1  12.837  25.674  3.46695      913.6     48.3     48.3     5.6
   12   4   0   2  12.971  25.942  3.4317      1892.0    100.0    100.0     5.6
   13   2   2   0  13.699  27.397  3.25267       74.8      4.0      3.9     5.6
   14   2   0   4  13.773  27.545  3.23551      118.7      6.3      6.3     5.6
   15   0   2   2  13.958  27.915  3.19348     1121.4     59.3     59.2     5.6
   16   2   2   1  14.06   28.12   3.17066      200.6     10.6     10.6     5.6
   17   3   1   3  14.153  28.305  3.15036     1527.5     80.7     80.6     5.6
   18   1   1   4  14.304  28.608  3.11772     1035.8     54.7     54.6     5.6
   19   2   2   2  15.097  30.194  2.95745       85.6      4.5      4.5     5.6
   20   0   2   3  15.661  31.323  2.85341      310.6     16.4     16.3     5.6
   21   5   1   1  15.883  31.766  2.81455       30.0      1.6      1.6     5.6
   22   3   1   4  16.467  32.935  2.71734      274.0     14.5     14.4     5.6
   23   2   2   3  16.695  33.39   2.68128       71.3      3.8      3.7     5.7
   24   5   1   2  16.818  33.637  2.66222      175.4      9.3      9.2     5.7
   25   4   2   0  16.956  33.912  2.64124      529.1     28.0     27.8     5.7
   26   4   0   4  17.017  34.034  2.63203      137.5      7.3      7.2     5.7
   27   6   0   0  17.146  34.292  2.61283      177.7      9.4      9.3     5.7
   28   1   1   5  17.205  34.41   2.60417      241.6     12.8     12.7     5.7
   29   4   2   1  17.255  34.511  2.59676      438.4     23.2     23.0     5.7
   30   5   1   3  18.283  36.565  2.45544      341.7     18.1     17.9     5.7
   31   2   2   4  18.729  37.458  2.39892       33.0      1.7      1.7     5.7
   32   0   0   6  18.982  37.963  2.36817       38.0      2.0      2.0     5.7
   33   3   1   5  19.075  38.15   2.35698      790.9     41.8     41.4     5.7
   34   4   2   3  19.507  39.013  2.3068       540.7     28.6     28.3     5.7
   35   1   3   2  20.146  40.293  2.23647      313.3     16.6     16.4     5.7
   36   5   1   4  20.178  40.356  2.2331        87.8      4.6      4.6     5.7
   37   1   1   6  20.252  40.504  2.2253        64.6      3.4      3.4     5.7
   38   3   3   0  20.807  41.614  2.16845       21.3      1.1      1.1     5.7
   39   4   2   4  21.31   42.62   2.11955      225.1     11.9     11.7     5.7
   40   7   1   1  21.375  42.75   2.11341      155.6      8.2      8.1     5.7
   41   6   2   0  21.417  42.834  2.10948       62.5      3.3      3.3     5.7
   42   6   0   4  21.467  42.934  2.10478       53.6      2.8      2.8     5.7
   43   6   2   1  21.663  43.327  2.08661       30.3      1.6      1.6     5.7
   44   3   3   2  21.802  43.604  2.07399      356.4     18.8     18.5     5.7
   45   3   1   6  21.901  43.802  2.06508      112.3      5.9      5.8     5.7
   46   7   1   2  22.109  44.218  2.04659      229.6     12.1     11.9     5.7
   47   4   0   6  22.336  44.671  2.02689      195.1     10.3     10.1     5.7
   48   6   2   2  22.39   44.78   2.02222      242.7     12.8     12.6     5.7
   49   0   2   6  22.964  45.928  1.97429      191.2     10.1      9.9     5.7
   50   1   3   4  23.097  46.194  1.96356       30.5      1.6      1.6     5.7
   51   8   0   0  23.146  46.292  1.95963      176.4      9.3      9.1     5.7
   52   7   1   3  23.292  46.583  1.94804      198.9     10.5     10.3     5.7
   53   1   1   7  23.423  46.846  1.93772      104.5      5.5      5.4     5.7
   54   4   2   5  23.462  46.925  1.93466       64.0      3.4      3.3     5.7
   55   6   2   3  23.561  47.123  1.927         65.3      3.5      3.4     5.7
   56   5   3   0  23.952  47.903  1.89739      161.3      8.5      8.3     5.7
   57   8   0   2  24.064  48.128  1.88908       38.6      2.0      2.0     5.7
   58   3   3   4  24.593  49.187  1.85085      334.8     17.7     17.3     5.7
   59   7   1   4  24.874  49.748  1.83129       30.8      1.6      1.6     5.7
   60   3   1   7  24.905  49.81   1.82916       36.4      1.9      1.9     5.7
   61   5   1   6  24.936  49.873  1.82698      301.2     15.9     15.6     5.7
   62   6   2   4  25.131  50.261  1.81377       19.7      1.0      1.0     5.8
   63   0   0   8  25.702  51.403  1.77612      292.0     15.4     15.1     5.8
   64   0   4   1  25.742  51.484  1.77352      160.2      8.5      8.3     5.8
   65   0   2   7  25.873  51.746  1.76517       66.5      3.5      3.4     5.8
   66   0   4   2  26.382  52.764  1.73347       68.3      3.6      3.5     5.8
   67   2   2   7  26.571  53.142  1.72204       45.1      2.4      2.3     5.8
   68   8   2   0  26.632  53.264  1.7184        20.2      1.1      1.0     5.8
   69   7   1   5  26.806  53.612  1.70806      185.7      9.8      9.5     5.8
   70   8   2   1  26.841  53.683  1.70597       89.8      4.7      4.6     5.8
   71   6   2   5  27.049  54.099  1.69382       33.1      1.7      1.7     5.8
   72   9   1   1  27.281  54.563  1.68051       33.1      1.8      1.7     5.8
   73   5   3   4  27.403  54.806  1.67361      112.7      6.0      5.8     5.8
   74   1   3   6  27.462  54.924  1.67032      221.6     11.7     11.4     5.8
   75   9   1   2  27.897  55.793  1.64632       23.9      1.3      1.2     5.8
   76   3   1   8  28.07   56.14   1.63698       62.2      3.3      3.2     5.8
   77   7   3   0  28.162  56.324  1.63207       84.4      4.5      4.3     5.8
   78   4   4   0  28.27   56.54   1.62634       38.1      2.0      2.0     5.8
   79   7   3   1  28.364  56.727  1.62141       19.9      1.1      1.0     5.8
   80   8   2   3  28.48   56.959  1.61537      190.9     10.1      9.8     5.8
   81   4   2   7  28.594  57.187  1.60946       65.5      3.5      3.4     5.8
   82   3   3   6  28.793  57.585  1.59928      244.5     12.9     12.5     5.8
   83   7   3   2  28.964  57.928  1.59064       46.6      2.5      2.4     5.8
   84   7   1   6  29.044  58.089  1.58661       58.5      3.1      3.0     5.8
   85   4   4   3  30.051  60.102  1.53818      121.6      6.4      6.2     5.8
   86   1   1   9  30.136  60.273  1.53424       21.6      1.1      1.1     5.8
   87  10   0   2  30.21   60.419  1.53087      125.9      6.7      6.4     5.8
   88   9   1   4  30.276  60.551  1.52785       32.4      1.7      1.6     5.8
   89   8   0   6  30.677  61.354  1.50976       90.3      4.8      4.6     5.8
   90   7   3   4  31.292  62.583  1.48303      236.1     12.5     12.0     5.8
   91   4   4   4  31.393  62.786  1.47873      115.3      6.1      5.8     5.9
   92   4   2   8  31.508  63.017  1.47387      130.9      6.9      6.6     5.9
   93   7   1   7  31.558  63.115  1.47181       89.6      4.7      4.5     5.9
   94   8   2   5  31.59   63.18   1.47046       31.8      1.7      1.6     5.9
   95   6   0   8  31.628  63.256  1.46888       73.2      3.9      3.7     5.9
   96   6   4   1  31.663  63.326  1.46741       83.8      4.4      4.3     5.9
   97   0   2   9  32.232  64.465  1.44422      109.6      5.8      5.5     5.9
   98  10   2   0  32.446  64.893  1.43572      112.9      6.0      5.7     5.9
   99  10   2   1  32.632  65.264  1.42845       94.2      5.0      4.8     5.9
  100   0   4   6  32.677  65.354  1.4267       110.3      5.8      5.6     5.9
  101   4   4   5  33.073  66.146  1.41153       36.0      1.9      1.8     5.9
  102  11   1   0  33.443  66.886  1.39769       23.3      1.2      1.2     5.9
  103  11   1   1  33.626  67.252  1.39097       34.0      1.8      1.7     5.9
  104   3   5   1  34.131  68.262  1.37284       70.4      3.7      3.5     5.9
  105  11   1   2  34.172  68.343  1.3714        21.2      1.1      1.1     5.9
  106   1   5   3  34.389  68.779  1.36378       64.0      3.4      3.2     5.9
  107   4   2   9  34.64   69.279  1.35514      106.9      5.7      5.4     5.9
  108   7   3   6  34.973  69.946  1.34385       98.6      5.2      4.9     5.9
  109  11   1   3  35.072  70.144  1.34054      160.8      8.5      8.1     5.9
  110   4   0  10  35.214  70.428  1.33582      157.5      8.3      7.9     5.9
  111   3   5   3  35.567  71.135  1.32428       27.0      1.4      1.4     5.9
  112   1   5   4  35.644  71.287  1.32182       46.7      2.5      2.3     5.9
  113   0   2  10  35.687  71.374  1.32043       96.5      5.1      4.8     5.9
  114   8   0   8  35.825  71.65   1.31601       38.7      2.0      1.9     5.9
  115   8   4   1  35.858  71.717  1.31495       74.4      3.9      3.7     5.9
  116   8   2   7  35.966  71.933  1.31154       32.8      1.7      1.6     5.9
  117   9   3   4  36.092  72.185  1.30758       71.2      3.8      3.6     5.9
  118   5   5   0  36.302  72.603  1.30107       19.0      1.0      0.9     6.0
  119   5   3   8  36.445  72.89   1.29666       34.2      1.8      1.7     6.0
  120   3   5   4  36.804  73.608  1.28577      102.6      5.4      5.1     6.0
  121   5   5   2  37.005  74.01   1.27979       30.7      1.6      1.5     6.0
  122   1   5   5  37.229  74.459  1.27317       20.1      1.1      1.0     6.0
  123   4   4   7  37.366  74.731  1.26921       31.6      1.7      1.6     6.0
  124   6   2   9  37.547  75.093  1.26398       19.0      1.0      0.9     6.0
  125  11   1   5  37.891  75.782  1.2542        81.1      4.3      4.0     6.0
  126   3   5   5  38.372  76.744  1.24086       19.7      1.0      1.0     6.0
  127   3   1  11  38.583  77.165  1.23513       28.4      1.5      1.4     6.0
  128  12   0   4  38.919  77.838  1.22613       52.9      2.8      2.6     6.0
  129   1   3  10  39.275  78.551  1.21678       26.7      1.4      1.3     6.0
  130  11   3   2  39.718  79.435  1.20544       38.1      2.0      1.9     6.0
  131   7   3   8  39.864  79.727  1.20175       57.5      3.0      2.8     6.0
  132   7   5   1  39.896  79.792  1.20095       19.4      1.0      1.0     6.0
  133   0   6   0  40.27   80.54   1.19167       44.7      2.4      2.2     6.1
  134  12   2   3  40.427  80.853  1.18784       89.5      4.7      4.4     6.1
  135   0   0  12  40.581  81.163  1.18408       27.2      1.4      1.3     6.1
  136   7   1  10  40.616  81.232  1.18325       72.4      3.8      3.5     6.1
  137   6   2  10  40.815  81.63   1.17849       87.6      4.6      4.3     6.1
  138  10   4   1  40.979  81.958  1.17459       37.8      2.0      1.8     6.1
  139  10   2   7  41.083  82.166  1.17215       41.9      2.2      2.0     6.1
  140   7   5   3  41.259  82.518  1.16803       55.2      2.9      2.7     6.1
  141   1   1  12  41.393  82.785  1.16494       19.0      1.0      0.9     6.1
  142   8   2   9  41.495  82.99   1.1626        39.5      2.1      1.9     6.1
  143   4   2  11  41.591  83.182  1.16039       26.5      1.4      1.3     6.1
  144  11   3   4  41.761  83.522  1.15653       88.9      4.7      4.3     6.1
  145  11   1   7  41.999  83.999  1.15118       20.1      1.1      1.0     6.1
  146  10   4   3  42.336  84.671  1.14374       18.9      1.0      0.9     6.1
  147   3   5   7  42.469  84.938  1.14084       51.2      2.7      2.5     6.1
  148   3   1  12  42.506  85.011  1.14003       46.9      2.5      2.3     6.1
  149   4   4   9  42.842  85.684  1.13281       52.5      2.8      2.5     6.1
  150   0   6   4  42.984  85.968  1.12979       45.0      2.4      2.2     6.1
  151   4   6   2  43.177  86.354  1.12573       65.9      3.5      3.2     6.1
  152  14   0   0  43.463  86.925  1.11979       30.6      1.6      1.5     6.1
  153  10   4   4  43.517  87.035  1.11866       23.4      1.2      1.1     6.1
  154  10   2   8  43.62   87.24   1.11655       60.0      3.2      2.9     6.2
  155   7   5   5  43.964  87.927  1.10959       38.2      2.0      1.8     6.2
  156   8   4   7  44.095  88.19   1.10696       39.1      2.1      1.9     6.2
  157   9   5   0  44.181  88.361  1.10526       20.0      1.1      1.0     6.2
  158   6   2  11  44.366  88.731  1.1016        20.7      1.1      1.0     6.2
  159   8   2  10  44.703  89.406  1.09504       27.8      1.5      1.3     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)