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       ***
                  ***********************
CARLOSRUIZITE

1

K(6)(Na,K)(4)Na(6)Mg(10)[SeO(4)](12)[IO(3)](12).12H(2)O


Hexagonal  P 3(-)c1  Z = 1

R =0.053          NR =691

18 .10 .1995

Ref.Str.:

         Konnert J.A., Evans H.T., McGree J.J., Ericksen G.E. (1994)

         * Amer. Mineral., 79, 1003-1008

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   9.5901   alpha =   90.0 
             b =   9.5901   beta  =   90.0 
             c =  27.36     gamma =  120.0 

    Unit cell volume (cub. angs.) =  2179.18

    Molar volume ( cub.cm/mol.) =  1312.6 

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

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

   1 0.3911  0.2199  0.456    0.0    I     = 1.00
   2 0.201   0.039   0.4585   0.0    O     = 1.00
   3 0.489   0.168   0.4097   0.0    O     = 1.00
   4 0.482   0.174   0.506    0.0    O     = 1.00
   5 0.3188  0.2992  0.3243   0.0    Se    = 1.00
   6 0.286   0.427   0.2975   0.0    O     = 1.00
   7 0.223   0.126   0.3031   0.0    O     = 1.00
   8 0.5     0.365   0.3204   0.0    O     = 1.00
   9 0.274   0.294   0.3801   0.0    O     = 1.00
  10 0.3834  0.0     0.25     0.0    K     = 1.00
  11 0.0     0.0     0.1212   0.0    Na    = 0.15, K     = 0.85
  12 0.3333  0.6667  0.3338   0.0    Na    = 1.00
  13 0.0     0.0     0.25     0.0    Na    = 1.00
  14 0.3333  0.6667  0.1391   0.0    Mg    = 1.00
  15 0.3333  0.6667  0.448    0.0    Mg    = 1.00
  16 0.0     0.0     0.0      0.0    Mg    = 1.00
  17 0.662   0.497   0.0987   0.0    H(2)O = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3911     0.2199     0.456 
     2       2     0.201      0.039      0.4585
     3       3     0.489      0.168      0.4097
     4       4     0.482      0.174      0.506 
     5       5     0.3188     0.2992     0.3243
     6       6     0.286      0.427      0.2975
     7       7     0.223      0.126      0.3031
     8       8     0.5        0.365      0.3204
     9       9     0.274      0.294      0.3801
    10      10     0.3834     0.0        0.25  
    11      11     0.0        0.0        0.1212
    12      12     0.3333     0.6667     0.3338
    13      13     0.0        0.0        0.25  
    14      14     0.3333     0.6667     0.1391
    15      15     0.3333     0.6667     0.448 
    16      16     0.0        0.0        0.0   
    17      17     0.662      0.497      0.0987
    18       1     0.7801     0.1712     0.456 
    19       1     0.8288     0.6089     0.456 
    20       2     0.961      0.162      0.4585
    21       2     0.838      0.799      0.4585
    22       3     0.832      0.321      0.4097
    23       3     0.679      0.511      0.4097
    24       4     0.826      0.308      0.506 
    25       4     0.692      0.518      0.506 
    26       5     0.7008     0.0196     0.3243
    27       5     0.9804     0.6812     0.3243
    28       6     0.573      0.859      0.2975
    29       6     0.141      0.714      0.2975
    30       7     0.874      0.097      0.3031
    31       7     0.903      0.777      0.3031
    32       8     0.635      0.135      0.3204
    33       8     0.865      0.5        0.3204
    34       9     0.706      0.98       0.3801
    35       9     0.02       0.726      0.3801
    36      10     0.0        0.3834     0.25  
    37      10     0.6166     0.6166     0.25  
    38      17     0.503      0.165      0.0987
    39      17     0.835      0.338      0.0987
    40       1     0.3911     0.1712     0.956 
    41       2     0.201      0.162      0.9585
    42       3     0.489      0.321      0.9097
    43       4     0.482      0.308      0.006 
    44       5     0.3188     0.0196     0.8243
    45       6     0.286      0.859      0.7975
    46       7     0.223      0.097      0.8031
    47       8     0.5        0.135      0.8204
    48       9     0.274      0.98       0.8801
    49      10     0.3834     0.3834     0.75  
    50      11     0.0        0.0        0.6212
    51      12     0.3333     0.6666     0.8338
    52      13     0.0        0.0        0.75  
    53      14     0.3333     0.6666     0.6391
    54      15     0.3333     0.6666     0.948 
    55      16     0.0        0.0        0.5   
    56      17     0.662      0.165      0.5987
    57       1     0.7801     0.6089     0.956 
    58       1     0.8288     0.2199     0.956 
    59       2     0.961      0.799      0.9585
    60       2     0.838      0.039      0.9585
    61       3     0.832      0.511      0.9097
    62       3     0.679      0.168      0.9097
    63       4     0.826      0.518      0.006 
    64       4     0.692      0.174      0.006 
    65       5     0.7008     0.6812     0.8243
    66       5     0.9804     0.2992     0.8243
    67       6     0.573      0.714      0.7975
    68       6     0.141      0.427      0.7975
    69       7     0.874      0.777      0.8031
    70       7     0.903      0.126      0.8031
    71       8     0.635      0.5        0.8204
    72       8     0.865      0.365      0.8204
    73       9     0.706      0.726      0.8801
    74       9     0.02       0.294      0.8801
    75      10     0.0        0.6166     0.75  
    76      10     0.6166     0.0        0.75  
    77      17     0.503      0.338      0.5987
    78      17     0.835      0.497      0.5987
    79       1     0.6089     0.7801     0.544 
    80       2     0.799      0.961      0.5415
    81       3     0.511      0.832      0.5903
    82       4     0.518      0.826      0.494 
    83       5     0.6812     0.7008     0.6757
    84       6     0.714      0.573      0.7025
    85       7     0.777      0.874      0.6969
    86       8     0.5        0.635      0.6796
    87       9     0.726      0.706      0.6199
    88      11     0.0        0.0        0.8788
    89      12     0.6667     0.3333     0.6662
    90      14     0.6667     0.3333     0.8609
    91      15     0.6667     0.3333     0.552 
    92      17     0.338      0.503      0.9013
    93       1     0.2199     0.8288     0.544 
    94       1     0.1712     0.3911     0.544 
    95       2     0.039      0.838      0.5415
    96       2     0.162      0.201      0.5415
    97       3     0.168      0.679      0.5903
    98       3     0.321      0.489      0.5903
    99       4     0.174      0.692      0.494 
   100       4     0.308      0.482      0.494 
   101       5     0.2992     0.9804     0.6757
   102       5     0.0196     0.3188     0.6757
   103       6     0.427      0.141      0.7025
   104       6     0.859      0.286      0.7025
   105       7     0.126      0.903      0.6969
   106       7     0.097      0.223      0.6969
   107       8     0.365      0.865      0.6796
   108       8     0.135      0.5        0.6796
   109       9     0.294      0.02       0.6199
   110       9     0.98       0.274      0.6199
   111      17     0.497      0.835      0.9013
   112      17     0.165      0.662      0.9013
   113       1     0.6089     0.8288     0.044 
   114       2     0.799      0.838      0.0415
   115       3     0.511      0.679      0.0903
   116       4     0.518      0.692      0.994 
   117       5     0.6812     0.9804     0.1757
   118       6     0.714      0.141      0.2025
   119       7     0.777      0.903      0.1969
   120       8     0.5        0.865      0.1796
   121       9     0.726      0.02       0.1199
   122      11     0.0        0.0        0.3788
   123      12     0.6667     0.3334     0.1662
   124      14     0.6667     0.3334     0.3609
   125      15     0.6667     0.3334     0.052 
   126      17     0.338      0.835      0.4013
   127       1     0.2199     0.3911     0.044 
   128       1     0.1712     0.7801     0.044 
   129       2     0.039      0.201      0.0415
   130       2     0.162      0.961      0.0415
   131       3     0.168      0.489      0.0903
   132       3     0.321      0.832      0.0903
   133       4     0.174      0.482      0.994 
   134       4     0.308      0.826      0.994 
   135       5     0.2992     0.3188     0.1757
   136       5     0.0196     0.7008     0.1757
   137       6     0.427      0.286      0.2025
   138       6     0.859      0.573      0.2025
   139       7     0.126      0.223      0.1969
   140       7     0.097      0.874      0.1969
   141       8     0.365      0.5        0.1796
   142       8     0.135      0.635      0.1796
   143       9     0.294      0.274      0.1199
   144       9     0.98       0.706      0.1199
   145      17     0.497      0.662      0.4013
   146      17     0.165      0.503      0.4013


X-ray density (g/cm cub.)   =      3.65

MU (1/cm) =     471.348    Mass attenuation coefficient (cm**2/g) =    129.104

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

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

    1    I                   2.4          3
                                                 1.7819       2
                                                 1.7892       3
                                                 1.7913       4
    2    O                   3.432       10
                                                 2.7431       3
                                                 2.6718       4
                                                 3.0593       9
                                                 3.0665       2
                                                 3.0665       2
                                                 3.3785       9
                                                 2.8795       2
                                                 2.8795       2
                                                 3.3499       4
                                                 3.2516      17
    3    O                   3.432        8
                                                 2.7431       2
                                                 2.637        4
                                                 3.0579       8
                                                 2.9764       9
                                                 2.8542       3
                                                 2.8542       3
                                                 2.9109       8
                                                 2.7792      17
    4    O                   3.432        7
                                                 2.6718       2
                                                 2.637        3
                                                 2.8802       4
                                                 2.8802       4
                                                 3.0934      17
                                                 2.9378      17
                                                 3.3501       2
    5    Se                  2.628        4
                                                 1.5888       6
                                                 1.5535       7
                                                 1.5273       8
                                                 1.58         9
    6    O                   3.432        6
                                                 2.6414       7
                                                 2.4856       8
                                                 2.5692       9
                                                 3.2796       7
                                                 3.3074       8
                                                 3.2847      17
    7    O                   3.432        7
                                                 2.6414       6
                                                 2.5388       8
                                                 2.5466       9
                                                 3.2169       7
                                                 3.2169       7
                                                 3.2796       6
                                                 3.3224       7
    8    O                   3.432        8
                                                 3.0579       3
                                                 2.4856       6
                                                 2.5388       7
                                                 2.5206       9
                                                 2.9109       3
                                                 3.0655       8
                                                 3.0655       8
                                                 3.3074       6
    9    O                   3.432        8
                                                 3.0593       2
                                                 2.9764       3
                                                 2.5692       6
                                                 2.5466       7
                                                 2.5206       8
                                                 3.3785       2
                                                 3.1332      17
                                                 2.7462      17
   10    K                   3.396        8
                                                 2.7921       7
                                                 3.0468       6
                                                 2.8705       6
                                                 2.8433       8
                                                 3.0467       6
                                                 2.8433       8
                                                 2.8704       6
                                                 2.7922       7
   11   Na   ,K              3.396        9
                                                 2.8088       2
                                                 2.7819       7
                                                 2.7289       9
                                                 2.8088       2
                                                 2.8088       2
                                                 2.7819       7
                                                 2.7819       7
                                                 2.7288       9
                                                 2.7289       9
   12    Na                  2.976        6
                                                 2.331        6
                                                 2.3307       6
                                                 2.3301       6
                                                 2.4382      17
                                                 2.4389      17
                                                 2.4386      17
   13    Na                  2.976        6
                                                 2.358        7
                                                 2.3579       7
                                                 2.358        7
                                                 2.358        7
                                                 2.3579       7
                                                 2.358        7
   14    Mg                  2.688        6
                                                 2.1213       3
                                                 2.088        8
                                                 2.121        3
                                                 2.1205       3
                                                 2.0886       8
                                                 2.0878       8
   15    Mg                  2.688        6
                                                 2.0855       4
                                                 2.0851       4
                                                 2.0858       4
                                                 2.0413      17
                                                 2.0421      17
                                                 2.0417      17
   16    Mg                  2.688        6
                                                 2.1033       2
                                                 2.1032       2
                                                 2.1033       2
                                                 2.1033       2
                                                 2.1032       2
                                                 2.1033       2
   17    H(2)O               3.6         10
                                                 2.7583      17
                                                 2.7583      17
                                                 3.0934       4
                                                 2.9377       4
                                                 3.2516       2
                                                 2.7792       3
                                                 3.5607       6
                                                 3.2846       6
                                                 3.1333       9
                                                 2.7461       9

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

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

    1   0   0   2  3.228   6.456   0.037  627.83    2      236.7     1481.1
    2   1   0   0  5.322  10.643   0.06   229.53    6       31.2       28.2
    3   1   0  -2  6.229  12.458   0.07   166.92    6      110.2      256.0
    4   1   0   2  6.229  12.458   0.07   166.92    6      170.3      611.8
    5   0   0   4  6.466  12.932   0.073  154.74    2      143.5      134.1
    6   1   0  -4  8.389  16.778   0.095   91.03    6      166.0      316.9
    7   1   0   4  8.389  16.778   0.095   91.03    6      159.8      293.5
    8   1   1   0  9.244  18.488   0.104   74.57    6      148.3      207.3
    9   1   1   1  9.386  18.772   0.106   72.27   12      304.3     1691.3
   10   0   0   6  9.725  19.45    0.11    67.17    2      269.8      206.0
   11   1   1   2  9.801  19.602   0.11    66.1    12       72.2       87.0
   12   1   1   3 10.457  20.913   0.118   57.81   12       57.1       47.6
   13   2   0   0 10.69   21.38    0.12    55.22    6      274.6      526.3
   14   1   0  -6 11.111  22.222   0.125   50.96    6      210.2      284.4
   15   1   0   6 11.111  22.222   0.125   50.96    6      144.9      135.2
   16   2   0  -2 11.178  22.355   0.126   50.33    6       63.5       25.7
   17   2   0   2 11.178  22.355   0.126   50.33    6      499.1     1583.7
   18   1   1   4 11.314  22.628   0.127   49.07   12      102.1      129.2
   19   1   1   5 12.333  24.666   0.139   40.97   12      251.6      655.3
   20   2   0  -4 12.533  25.066   0.141   39.6     6      288.4      416.2
   21   2   0   4 12.533  25.066   0.141   39.6     6      392.1      769.4
   22   0   0   8 13.016  26.033   0.146   36.57    2      523.0      421.3
   23   1   1   6 13.48   26.96    0.151   33.96   12       71.2       43.5
   24   1   0  -8 14.098  28.195   0.158   30.88    6      227.3      201.6
   25   1   0   8 14.098  28.195   0.158   30.88    6      151.0       89.0
   26   2   1   0 14.204  28.409   0.159   30.39   12      297.0      677.2
   27   2   1  -1 14.3    28.599   0.16    29.96   12       14.9        1.7
   28   2   1   1 14.3    28.599   0.16    29.96   12      199.2      300.4
   29   2   0  -6 14.53   29.059   0.163   28.95    6      399.6      584.1
   30   2   0   6 14.53   29.059   0.163   28.95    6      581.8     1238.4
   31   2   1  -2 14.582  29.163   0.163   28.73   12      241.3      422.9
   32   2   1   2 14.582  29.163   0.163   28.73   12      232.8      393.4
   33   1   1   7 14.729  29.458   0.165   28.12   12      455.2     1472.7
   34   2   1  -3 15.041  30.082   0.168   26.89   12        3.1        0.1
   35   2   1   3 15.041  30.082   0.168   26.89   12       15.7        1.7
   36   2   1  -4 15.664  31.327   0.175   24.64   12      114.4       81.5
   37   2   1   4 15.664  31.327   0.175   24.64   12      134.3      112.4
   38   1   1   8 16.06   32.12    0.18    23.35   12      219.0      282.9
   39   3   0   0 16.155  32.31    0.181   23.05    6      251.2      183.8
   40   0   0  10 16.352  32.704   0.183   22.46    2      303.3       87.0
   41   2   1  -5 16.433  32.866   0.184   22.22   12       83.5       39.1
   42   2   1   5 16.433  32.866   0.184   22.22   12       55.2       17.1
   43   3   0  -2 16.492  32.984   0.184   22.05    6      477.4      634.7
   44   3   0   2 16.492  32.984   0.184   22.05    6      307.4      263.2
   45   2   0  -8 16.964  33.929   0.189   20.73    6      649.8     1106.3
   46   2   0   8 16.964  33.929   0.189   20.73    6       68.3       12.2
   47   1   0 -10 17.243  34.485   0.192   20.01    6       48.5        6.0
   48   1   0  10 17.243  34.485   0.192   20.01    6       17.2        0.7
   49   2   1  -6 17.332  34.664   0.193   19.79   12       69.9       24.4
   50   2   1   6 17.332  34.664   0.193   19.79   12       63.7       20.3
   51   1   1   9 17.458  34.917   0.195   19.48   12      138.2       94.1
   52   3   0  -4 17.467  34.935   0.195   19.46    6      587.5      848.4
   53   3   0   4 17.467  34.935   0.195   19.46    6      147.3       53.4
   54   2   1  -7 18.344  36.688   0.204   17.48   12       64.4       18.3
   55   2   1   7 18.344  36.688   0.204   17.48   12      121.8       65.5
   56   2   2   0 18.74   37.481   0.209   16.67    6      136.0       39.0
   57   2   2   1 18.815  37.63    0.209   16.53   12      158.5      104.9
   58   1   1  10 18.914  37.827   0.21    16.34   12       81.1       27.2
   59   3   0  -6 18.996  37.992   0.211   16.18    6       56.3        6.5
   60   3   0   6 18.996  37.992   0.211   16.18    6      384.8      302.8
   61   2   2   2 19.037  38.074   0.212   16.1    12      295.7      355.9
   62   2   2   3 19.402  38.804   0.216   15.44   12      169.4      112.0
   63   2   1  -8 19.456  38.911   0.216   15.35   12       46.9        8.5
   64   2   1   8 19.456  38.911   0.216   15.35   12       14.0        0.8
   65   3   1   0 19.536  39.072   0.217   15.21   12       16.8        1.1
   66   3   1  -1 19.608  39.216   0.218   15.08   12      254.5      246.8
   67   3   1   1 19.608  39.216   0.218   15.08   12       52.5       10.5
   68   2   0 -10 19.703  39.407   0.219   14.92    6      207.8       81.4
   69   2   0  10 19.703  39.407   0.219   14.92    6      161.9       49.4
   70   0   0  12 19.745  39.491   0.219   14.85    2      235.3       34.6
   71   3   1  -2 19.823  39.645   0.22    14.72   12       74.7       20.8
   72   3   1   2 19.823  39.645   0.22    14.72   12       58.6       12.8
   73   2   2   4 19.904  39.808   0.221   14.59   12      111.5       45.8
   74   3   1  -3 20.176  40.352   0.224   14.16   12       68.7       16.9
   75   3   1   3 20.176  40.352   0.224   14.16   12       32.6        3.8
   76   1   1  11 20.418  40.837   0.226   13.79   12       36.1        4.6
   77   1   0 -12 20.508  41.016   0.227   13.65    6      142.1       34.8
   78   1   0  12 20.508  41.016   0.227   13.65    6       59.9        6.2
   79   2   2   5 20.534  41.068   0.228   13.61   12      190.3      124.6
   80   2   1  -9 20.654  41.308   0.229   13.44   12      148.7       75.1
   81   2   1   9 20.654  41.308   0.229   13.44   12      224.2      170.6
   82   3   1  -4 20.662  41.324   0.229   13.43   12      137.9       64.5
   83   3   1   4 20.662  41.324   0.229   13.43   12      119.4       48.4
   84   3   0  -8 20.976  41.951   0.232   12.98    6      136.2       30.4
   85   3   0   8 20.976  41.951   0.232   12.98    6      302.7      150.3
   86   3   1  -5 21.274  42.547   0.236   12.58   12      224.7      160.5
   87   3   1   5 21.274  42.547   0.236   12.58   12       61.4       12.0
   88   2   2   6 21.283  42.567   0.236   12.56   12       86.7       23.9
   89   4   0   0 21.776  43.553   0.241   11.93    6       32.9        1.6
   90   2   1 -10 21.929  43.859   0.242   11.75   12       20.1        1.2
   91   2   1  10 21.929  43.859   0.242   11.75   12      192.5      110.0
   92   1   1  12 21.968  43.936   0.243   11.7    12        3.9        0.0
   93   3   1  -6 22.002  44.005   0.243   11.66   12       83.2       20.4
   94   3   1   6 22.002  44.005   0.243   11.66   12       31.7        3.0
   95   4   0  -2 22.039  44.077   0.244   11.62    6      119.4       20.9
   96   4   0   2 22.039  44.077   0.244   11.62    6        8.4        0.1
   97   2   2   7 22.142  44.285   0.245   11.49   12       74.2       16.0
   98   2   0 -12 22.669  45.339   0.25    10.9     6      197.9       54.0
   99   2   0  12 22.669  45.339   0.25    10.9     6      238.7       78.5
  100   4   0  -4 22.811  45.623   0.252   10.75    6      322.2      141.0
  101   4   0   4 22.811  45.623   0.252   10.75    6       76.6        8.0
  102   3   1  -7 22.84   45.679   0.252   10.72   12      171.9       80.0
  103   3   1   7 22.84   45.679   0.252   10.72   12      201.2      109.7
  104   2   2   8 23.102  46.203   0.255   10.44   12       21.1        1.2
  105   0   0  14 23.213  46.426   0.256   10.33    2      798.3      277.3
  106   2   1 -11 23.273  46.547   0.256   10.27   12       30.0        2.3
  107   2   1  11 23.273  46.547   0.256   10.27   12      113.5       33.4
  108   3   0 -10 23.318  46.635   0.257   10.23    6      125.4       20.3
  109   3   0  10 23.318  46.635   0.257   10.23    6       93.3       11.3
  110   1   1  13 23.559  47.119   0.259    9.99   12       98.4       24.4
  111   3   1  -8 23.777  47.554   0.262    9.78   12       17.7        0.8
  112   3   1   8 23.777  47.554   0.262    9.78   12      125.4       38.9
  113   3   2   0 23.845  47.691   0.262    9.72   12      170.5       71.4
  114   1   0 -14 23.886  47.771   0.263    9.68    6      155.3       29.5
  115   1   0  14 23.886  47.771   0.263    9.68    6       79.9        7.8
  116   3   2  -1 23.907  47.813   0.263    9.66   12       20.9        1.1
  117   3   2   1 23.907  47.813   0.263    9.66   12       45.4        5.0
  118   4   0  -6 24.056  48.112   0.265    9.53    6      128.1       19.8
  119   4   0   6 24.056  48.112   0.265    9.53    6      286.0       98.5
  120   3   2  -2 24.09   48.18    0.265    9.5    12       70.5       11.9
  121   3   2   2 24.09   48.18    0.265    9.5    12      249.8      149.7
  122   2   2   9 24.153  48.306   0.266    9.44   12      164.2       64.3
  123   3   2  -3 24.393  48.787   0.268    9.23   12      107.3       26.8
  124   3   2   3 24.393  48.787   0.268    9.23   12       73.5       12.6
  125   2   1 -12 24.68   49.36    0.271    8.99   12      175.2       69.7
  126   2   1  12 24.68   49.36    0.271    8.99   12      198.3       89.3
  127   3   1  -9 24.806  49.613   0.272    8.89   12       30.4        2.1
  128   3   1   9 24.806  49.613   0.272    8.89   12      214.6      103.4
  129   3   2  -4 24.813  49.627   0.272    8.88   12      277.4      172.7
  130   3   2   4 24.813  49.627   0.272    8.88   12      283.7      180.6
  131   4   1   0 25.152  50.303   0.276    8.61   12       94.2       19.3
  132   1   1  14 25.19   50.381   0.276    8.58   12      243.5      128.5
  133   4   1  -1 25.211  50.421   0.276    8.57   12      218.5      103.3
  134   4   1   1 25.211  50.421   0.276    8.57   12       31.3        2.1
  135   2   2  10 25.289  50.578   0.277    8.5    12      357.5      274.6
  136   3   2  -5 25.346  50.691   0.278    8.46   12      193.4       80.0
  137   3   2   5 25.346  50.691   0.278    8.46   12      156.7       52.5
  138   4   1  -2 25.387  50.774   0.278    8.43   12      169.0       60.8
  139   4   1   2 25.387  50.774   0.278    8.43   12       24.7        1.3
  140   4   1  -3 25.679  51.358   0.281    8.21   12       52.4        5.7
  141   4   1   3 25.679  51.358   0.281    8.21   12      272.2      153.8
  142   4   0  -8 25.722  51.443   0.282    8.18    6       15.2        0.2
  143   4   0   8 25.722  51.443   0.282    8.18    6      242.9       61.0
  144   2   0 -14 25.824  51.649   0.283    8.11    6       82.2        6.9
  145   2   0  14 25.824  51.649   0.283    8.11    6      333.4      113.9
  146   3   1 -10 25.921  51.842   0.284    8.04   12      116.5       27.6
  147   3   1  10 25.921  51.842   0.284    8.04   12      177.0       63.7
  148   3   0 -12 25.955  51.91    0.284    8.02    6      446.1      201.5
  149   3   0  12 25.955  51.91    0.284    8.02    6      230.5       53.8
  150   3   2  -6 25.985  51.971   0.284    7.99   12       70.4       10.0
  151   3   2   6 25.985  51.971   0.284    7.99   12      275.8      153.6
  152   4   1  -4 26.084  52.167   0.285    7.93   12      157.5       49.7
  153   4   1   4 26.084  52.167   0.285    7.93   12      224.4      100.9
  154   2   1 -13 26.145  52.29    0.286    7.88   12      228.9      104.4
  155   2   1  13 26.145  52.29    0.286    7.88   12       24.5        1.2
  156   2   2  11 26.503  53.005   0.29     7.64   12       33.1        2.1
  157   4   1  -5 26.598  53.195   0.291    7.58   12      329.3      207.7
  158   4   1   5 26.598  53.195   0.291    7.58   12      254.9      124.5
  159   3   2  -7 26.727  53.455   0.292    7.5    12       69.8        9.2
  160   3   2   7 26.727  53.455   0.292    7.5    12        3.0        0.0
  161   0   0  16 26.773  53.546   0.292    7.47    2      157.4        7.8
  162   1   1  15 26.861  53.722   0.293    7.41   12      230.9       99.8
  163   3   1 -11 27.115  54.23    0.296    7.26   12       26.8        1.3
  164   3   1  11 27.115  54.23    0.296    7.26   12        2.2        0.0
  165   4   1  -6 27.216  54.433   0.297    7.19   12      147.3       39.5
  166   4   1   6 27.216  54.433   0.297    7.19   12      220.8       88.6
  167   1   0 -16 27.381  54.762   0.299    7.1     6       60.0        3.2
  168   1   0  16 27.381  54.762   0.299    7.1     6      228.3       46.7
  169   3   2  -8 27.566  55.133   0.3      6.99   12      394.7      275.1
  170   3   2   8 27.566  55.133   0.3      6.99   12      111.1       21.8
  171   5   0   0 27.628  55.256   0.301    6.95    6      264.4       61.4
  172   2   1 -14 27.664  55.329   0.301    6.93   12      164.6       47.5
  173   2   1  14 27.664  55.329   0.301    6.93   12       88.5       13.7
  174   4   0 -10 27.757  55.513   0.302    6.88    6       69.6        4.2
  175   4   0  10 27.757  55.513   0.302    6.88    6      210.5       38.5
  176   2   2  12 27.789  55.578   0.303    6.86   12      389.4      263.0
  177   5   0  -2 27.849  55.697   0.303    6.83    6      366.5      115.9
  178   5   0   2 27.849  55.697   0.303    6.83    6      247.7       52.9
  179   4   1  -7 27.936  55.872   0.304    6.78   12       56.2        5.4
  180   4   1   7 27.936  55.872   0.304    6.78   12      114.5       22.5
  181   3   1 -12 28.382  56.765   0.309    6.54   12       89.2       13.2
  182   3   1  12 28.382  56.765   0.309    6.54   12       89.1       13.1
  183   3   2  -9 28.497  56.994   0.31     6.48   12       64.0        6.7
  184   3   2   9 28.497  56.994   0.31     6.48   12       22.3        0.8
  185   5   0  -4 28.503  57.006   0.31     6.48    6      224.5       41.3
  186   5   0   4 28.503  57.006   0.31     6.48    6      324.3       86.1
  187   1   1  16 28.571  57.141   0.31     6.44   12        3.9        0.0
  188   4   1  -8 28.751  57.502   0.312    6.35   12      268.0      115.3
  189   4   1   8 28.751  57.502   0.312    6.35   12       65.2        6.8
  190   3   3   0 28.811  57.622   0.313    6.32    6      469.6      176.2
  191   3   0 -14 28.846  57.693   0.313    6.31    6       52.8        2.2
  192   3   0  14 28.846  57.693   0.313    6.31    6      258.3       53.1
  193   3   3   1 28.865  57.729   0.313    6.3    12       15.5        0.4
  194   3   3   2 29.026  58.051   0.315    6.22   12       77.8        9.5
  195   2   2  13 29.144  58.288   0.316    6.16   12      200.9       62.8
  196   2   0 -16 29.154  58.307   0.316    6.16    6      291.5       66.1
  197   2   0  16 29.154  58.307   0.316    6.16    6      525.8      215.1
  198   2   1 -15 29.237  58.473   0.317    6.12   12       91.0       12.8
  199   2   1  15 29.237  58.473   0.317    6.12   12      186.3       53.7
  200   3   3   3 29.292  58.585   0.318    6.09   12      115.7       20.6
  201   4   2   0 29.391  58.782   0.319    6.05   12        2.5        0.0
  202   4   2  -1 29.444  58.888   0.319    6.02   12      140.6       30.1
  203   4   2   1 29.444  58.888   0.319    6.02   12      153.6       35.9
  204   3   2 -10 29.514  59.029   0.32     5.99   12      412.5      257.6
  205   3   2  10 29.514  59.029   0.32     5.99   12        4.0        0.0
  206   5   0  -6 29.573  59.147   0.32     5.96    6      106.3        8.5
  207   5   0   6 29.573  59.147   0.32     5.96    6      291.1       63.8
  208   4   2  -2 29.603  59.206   0.321    5.95   12       30.5        1.4
  209   4   2   2 29.603  59.206   0.321    5.95   12       37.3        2.1
  210   4   1  -9 29.657  59.315   0.321    5.92   12      277.4      115.2
  211   4   1   9 29.657  59.315   0.321    5.92   12        9.5        0.1
  212   3   3   4 29.663  59.327   0.321    5.92   12       27.0        1.1
  213   3   1 -13 29.72   59.44    0.322    5.9    12       22.0        0.7
  214   3   1  13 29.72   59.44    0.322    5.9    12       22.3        0.7
  215   4   2  -3 29.866  59.733   0.323    5.83   12      189.2       52.7
  216   4   2   3 29.866  59.733   0.323    5.83   12       41.2        2.5
  217   4   0 -12 30.117  60.233   0.326    5.72    6      166.8       20.1
  218   4   0  12 30.117  60.233   0.326    5.72    6       55.5        2.2
  219   3   3   5 30.136  60.273   0.326    5.72   12      107.0       16.5
  220   4   2  -4 30.233  60.466   0.327    5.67   12       71.8        7.4
  221   4   2   4 30.233  60.466   0.327    5.67   12      102.1       14.9
  222   1   1  17 30.321  60.643   0.328    5.64   12       85.9       10.5
  223   0   0  18 30.448  60.897   0.329    5.59    2      189.8        8.5
  224   2   2  14 30.564  61.128   0.33     5.54   12       16.6        0.4
  225   3   2 -11 30.614  61.229   0.331    5.52   12       89.7       11.2
  226   3   2  11 30.614  61.229   0.331    5.52   12        7.5        0.1
  227   4   1 -10 30.651  61.302   0.331    5.5    12       94.0       12.3
  228   4   1  10 30.651  61.302   0.331    5.5    12       58.6        4.8
  229   4   2  -5 30.701  61.402   0.331    5.48   12       12.9        0.2
  230   4   2   5 30.701  61.402   0.331    5.48   12      161.0       35.9
  231   3   3   6 30.708  61.417   0.331    5.48   12      197.1       53.8
  232   2   1 -16 30.861  61.722   0.333    5.42   12       74.6        7.6
  233   2   1  16 30.861  61.722   0.333    5.42   12       96.3       12.7
  234   1   0 -18 31.01   62.019   0.334    5.36    6      113.3        8.7
  235   1   0  18 31.01   62.019   0.334    5.36    6      121.9       10.1
  236   5   0  -8 31.033  62.066   0.335    5.35    6       75.1        3.8
  237   5   0   8 31.033  62.066   0.335    5.35    6       79.5        4.3
  238   5   1   0 31.09   62.18    0.335    5.33   12       62.2        5.2
  239   3   1 -14 31.124  62.248   0.336    5.32   12       39.2        2.1
  240   3   1  14 31.124  62.248   0.336    5.32   12       13.5        0.2
  241   5   1  -1 31.142  62.283   0.336    5.31   12      321.5      138.8
  242   5   1   1 31.142  62.283   0.336    5.31   12       20.9        0.6
  243   4   2  -6 31.267  62.533   0.337    5.27   12       79.9        8.5
  244   4   2   6 31.267  62.533   0.337    5.27   12       33.8        1.5
  245   5   1  -2 31.295  62.59    0.337    5.26   12       18.5        0.5
  246   5   1   2 31.295  62.59    0.337    5.26   12      139.5       25.8
  247   3   3   7 31.377  62.753   0.338    5.23   12      100.5       13.3
  248   5   1  -3 31.55   63.101   0.34     5.16   12      204.4       54.5
  249   5   1   3 31.55   63.101   0.34     5.16   12      117.7       18.1
  250   4   1 -11 31.727  63.454   0.341    5.1    12      271.3       94.9
  251   4   1  11 31.727  63.454   0.341    5.1    12      145.8       27.4
  252   3   2 -12 31.793  63.586   0.342    5.08   12       98.4       12.4
  253   3   2  12 31.793  63.586   0.342    5.08   12      233.3       69.9
  254   5   1  -4 31.906  63.812   0.343    5.04   12       74.2        7.0
  255   5   1   4 31.906  63.812   0.343    5.04   12      187.4       44.7
  256   4   2  -7 31.928  63.856   0.343    5.03   12       31.3        1.2
  257   4   2   7 31.928  63.856   0.343    5.03   12       16.4        0.3
  258   3   0 -16 31.969  63.938   0.344    5.02    6      527.7      176.5
  259   3   0  16 31.969  63.938   0.344    5.02    6        3.5        0.0
  260   2   2  15 32.048  64.095   0.344    4.99   12       70.9        6.3
  261   1   1  18 32.115  64.229   0.345    4.97   12       24.2        0.7
  262   3   3   8 32.138  64.275   0.345    4.96   12      162.3       33.0
  263   5   1  -5 32.36   64.719   0.347    4.89   12       24.1        0.7
  264   5   1   5 32.36   64.719   0.347    4.89   12       11.6        0.2
  265   2   1 -17 32.537  65.074   0.349    4.83   12       35.6        1.5
  266   2   1  17 32.537  65.074   0.349    4.83   12       99.2       12.0
  267   3   1 -15 32.593  65.186   0.35     4.81   12      219.2       58.4
  268   3   1  15 32.593  65.186   0.35     4.81   12      146.9       26.2
  269   2   0 -18 32.659  65.319   0.35     4.79    6      359.4       78.2
  270   2   0  18 32.659  65.319   0.35     4.79    6      199.0       24.0
  271   4   2  -8 32.682  65.365   0.351    4.78   12       49.6        3.0
  272   4   2   8 32.682  65.365   0.351    4.78   12       20.2        0.5
  273   4   0 -14 32.771  65.541   0.351    4.76    6       90.1        4.9
  274   4   0  14 32.771  65.541   0.351    4.76    6      133.0       10.6
  275   5   0 -10 32.854  65.708   0.352    4.73    6      501.7      150.4
  276   5   0  10 32.854  65.708   0.352    4.73    6      313.4       58.7
  277   4   1 -12 32.883  65.767   0.352    4.72   12      121.9       17.7
  278   4   1  12 32.883  65.767   0.352    4.72   12       49.1        2.9
  279   5   1  -6 32.91   65.819   0.353    4.71   12      225.2       60.4
  280   5   1   6 32.91   65.819   0.353    4.71   12      113.7       15.4
  281   3   3   9 32.989  65.977   0.353    4.69   12       70.2        5.8
  282   3   2 -13 33.047  66.095   0.354    4.67   12       61.2        4.4
  283   3   2  13 33.047  66.095   0.354    4.67   12      160.2       30.3
  284   4   2  -9 33.526  67.052   0.359    4.53   12       26.6        0.8
  285   4   2   9 33.526  67.052   0.359    4.53   12       25.2        0.7
  286   5   1  -7 33.554  67.107   0.359    4.52   12       78.3        7.0
  287   5   1   7 33.554  67.107   0.359    4.52   12      191.4       41.9
  288   2   2  16 33.593  67.186   0.359    4.51   12       49.6        2.8
  289   6   0   0 33.812  67.625   0.361    4.45    6      433.9      105.9
  290   3   3  10 33.927  67.853   0.362    4.42   12      147.7       24.4
  291   1   1  19 33.953  67.907   0.363    4.41   12      218.5       53.2
  292   6   0  -2 34.009  68.017   0.363    4.4     6        2.3        0.0
  293   6   0   2 34.009  68.017   0.363    4.4     6       20.2        0.2
  294   4   1 -13 34.117  68.234   0.364    4.37   12       59.5        3.9
  295   4   1  13 34.117  68.234   0.364    4.37   12      301.6      100.4
  296   3   1 -16 34.126  68.252   0.364    4.37   12       98.4       10.7
  297   3   1  16 34.126  68.252   0.364    4.37   12       62.6        4.3
  298   2   1 -18 34.267  68.534   0.365    4.33   12       22.8        0.6
  299   2   1  18 34.267  68.534   0.365    4.33   12       89.0        8.7
  300   0   0  20 34.268  68.537   0.365    4.33    2      231.1        9.7
  301   5   1  -8 34.289  68.578   0.366    4.32   12       37.2        1.5
  302   5   1   8 34.289  68.578   0.366    4.32   12      161.9       28.6
  303   4   3   0 34.343  68.687   0.366    4.31   12      364.5      144.7
  304   3   2 -14 34.375  68.751   0.366    4.3    12       34.9        1.3
  305   3   2  14 34.375  68.751   0.366    4.3    12      319.3      110.8
  306   4   3  -1 34.392  68.784   0.367    4.3    12      229.0       56.9
  307   4   3   1 34.392  68.784   0.367    4.3    12       65.7        4.7
  308   4   2 -10 34.457  68.914   0.367    4.28   12      168.1       30.6
  309   4   2  10 34.457  68.914   0.367    4.28   12       96.8       10.1
  310   4   3  -2 34.538  69.076   0.368    4.26   12       91.6        9.0
  311   4   3   2 34.538  69.076   0.368    4.26   12      109.4       12.9
  312   6   0  -4 34.594  69.188   0.369    4.24    6       88.7        4.2
  313   6   0   4 34.594  69.188   0.369    4.24    6      131.3        9.3
  314   4   3  -3 34.781  69.562   0.37     4.2    12      230.2       56.2
  315   4   3   3 34.781  69.562   0.37     4.2    12      179.0       34.0
  316   1   0 -20 34.796  69.592   0.37     4.19    6      268.4       38.2
  317   1   0  20 34.796  69.592   0.37     4.19    6      157.7       13.2
  318   3   3  11 34.949  69.898   0.372    4.16   12        1.6        0.0


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

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

    1   0   0   2   3.228   6.456 13.68        1481.1     81.3     82.5     5.5
    2   1   0   0   5.322  10.643  8.30527       28.2      1.5      1.6     5.6
    3   1   0   2   6.229  12.458  7.09934      867.8     47.6     48.2     5.6
    4   0   0   4   6.466  12.932  6.84         134.1      7.4      7.4     5.6
    5   1   0   4   8.389  16.778  5.27989      610.4     33.5     33.8     5.6
    6   1   1   0   9.244  18.488  4.79505      207.3     11.4     11.5     5.6
    7   1   1   1   9.386  18.772  4.72306     1691.3     92.8     93.5     5.6
    8   0   0   6   9.725  19.45   4.56         206.0     11.3     11.4     5.6
    9   1   1   2   9.801  19.602  4.52512       87.0      4.8      4.8     5.6
   10   1   1   3  10.457  20.913  4.24418       47.6      2.6      2.6     5.6
   11   2   0   0  10.69   21.38   4.15264      526.3     28.9     29.0     5.6
   12   1   0   6  11.111  22.222  3.99715      419.6     23.0     23.1     5.6
   13   2   0   2  11.178  22.355  3.97359     1609.4     88.3     88.8     5.6
   14   1   1   4  11.314  22.628  3.92636      129.2      7.1      7.1     5.6
   15   1   1   5  12.333  24.666  3.60634      655.3     36.0     36.1     5.6
   16   2   0   4  12.533  25.066  3.54967     1185.5     65.1     65.3     5.6
   17   0   0   8  13.016  26.033  3.42         421.3     23.1     23.2     5.6
   18   1   1   6  13.48   26.96   3.30438       43.5      2.4      2.4     5.6
   19   1   0   8  14.098  28.195  3.16237      290.6     15.9     16.0     5.6
   20   2   1   0  14.204  28.409  3.1391       677.2     37.2     37.2     5.6
   21   2   1   1  14.3    28.599  3.11864      302.1     16.6     16.6     5.6
   22   2   0   6  14.53   29.059  3.07029     1822.5    100.0    100.0     5.6
   23   2   1   2  14.582  29.163  3.05958      816.3     44.8     44.8     5.6
   24   1   1   7  14.729  29.458  3.0296      1472.7     80.8     80.8     5.6
   25   2   1   4  15.664  31.327  2.85299      193.9     10.6     10.6     5.6
   26   1   1   8  16.06   32.12   2.78435      282.9     15.5     15.5     5.6
   27   3   0   0  16.155  32.31   2.76842      183.8     10.1     10.1     5.6
   28   0   0  10  16.352  32.704  2.736         87.0      4.8      4.8     5.6
   29   2   1   5  16.433  32.866  2.72287       56.3      3.1      3.1     5.6
   30   3   0   2  16.492  32.984  2.71342      897.9     49.3     49.1     5.6
   31   2   0   8  16.964  33.929  2.63994     1118.5     61.4     61.1     5.7
   32   2   1   6  17.332  34.664  2.58566       44.7      2.5      2.4     5.7
   33   3   0   4  17.467  34.935  2.5662       995.8     54.6     54.4     5.7
   34   2   1   7  18.344  36.688  2.44748       83.8      4.6      4.6     5.7
   35   2   2   0  18.74   37.481  2.39753       39.0      2.1      2.1     5.7
   36   2   2   1  18.815  37.63   2.38837      104.9      5.8      5.7     5.7
   37   1   1  10  18.914  37.827  2.37637       27.2      1.5      1.5     5.7
   38   3   0   6  18.996  37.992  2.36645      309.3     17.0     16.8     5.7
   39   2   2   2  19.037  38.074  2.36153      355.9     19.5     19.4     5.7
   40   2   2   3  19.402  38.804  2.31874      112.0      6.1      6.1     5.7
   41   3   1   1  19.608  39.216  2.29535      257.3     14.1     14.0     5.7
   42   2   0  10  19.703  39.407  2.28469      130.9      7.2      7.1     5.7
   43   0   0  12  19.745  39.491  2.28          34.6      1.9      1.9     5.7
   44   3   1   2  19.823  39.645  2.27149       33.6      1.8      1.8     5.7
   45   2   2   4  19.904  39.808  2.26256       45.8      2.5      2.5     5.7
   46   3   1   3  20.176  40.352  2.23333       20.7      1.1      1.1     5.7
   47   2   2   5  20.534  41.068  2.19599      165.6      9.1      9.0     5.7
   48   2   1   9  20.654  41.308  2.1838       358.6     19.7     19.5     5.7
   49   3   0   8  20.976  41.951  2.15179      180.7      9.9      9.8     5.7
   50   3   1   5  21.274  42.547  2.12303      196.3     10.8     10.6     5.7
   51   2   1  10  21.929  43.859  2.06253      111.3      6.1      6.0     5.7
   52   3   1   6  22.002  44.005  2.05603       23.3      1.3      1.3     5.7
   53   4   0   2  22.039  44.077  2.05281       21.0      1.2      1.1     5.7
   54   2   0  12  22.669  45.339  1.99857      132.4      7.3      7.2     5.7
   55   4   0   4  22.811  45.623  1.9868       338.7     18.6     18.3     5.7
   56   0   0  14  23.213  46.426  1.95429      277.3     15.2     15.0     5.7
   57   2   1  11  23.273  46.547  1.94948       35.8      2.0      1.9     5.7
   58   3   0  10  23.318  46.635  1.94601       31.6      1.7      1.7     5.7
   59   1   1  13  23.559  47.119  1.92716       24.4      1.3      1.3     5.7
   60   3   1   8  23.777  47.554  1.91053       38.9      2.1      2.1     5.7
   61   3   2   0  23.845  47.691  1.90536       71.4      3.9      3.8     5.7
   62   1   0  14  23.886  47.771  1.90233       43.4      2.4      2.3     5.7
   63   4   0   6  24.056  48.112  1.88965      118.2      6.5      6.4     5.7
   64   3   2   2  24.09   48.18   1.88714      161.6      8.9      8.7     5.7
   65   2   2   9  24.153  48.306  1.88252       64.3      3.5      3.5     5.7
   66   3   2   3  24.393  48.787  1.86509       39.5      2.2      2.1     5.7
   67   2   1  12  24.68   49.36   1.84475      159.0      8.7      8.6     5.7
   68   3   2   4  24.813  49.627  1.83548      458.8     25.2     24.7     5.7
   69   4   1   0  25.152  50.303  1.81236       19.3      1.1      1.0     5.8
   70   1   1  14  25.19   50.381  1.80975      234.0     12.8     12.6     5.8
   71   2   2  10  25.289  50.578  1.80317      274.6     15.1     14.7     5.8
   72   3   2   5  25.346  50.691  1.7994       132.5      7.3      7.1     5.8
   73   4   1   2  25.387  50.774  1.79666       62.1      3.4      3.3     5.8
   74   4   1   3  25.679  51.358  1.7776       159.5      8.8      8.6     5.8
   75   4   0   8  25.722  51.443  1.77484       61.0      3.3      3.3     5.8
   76   2   0  14  25.824  51.649  1.76826      120.8      6.6      6.5     5.8
   77   3   1  10  25.921  51.842  1.76212       91.3      5.0      4.9     5.8
   78   3   0  12  25.955  51.91   1.75996      255.3     14.0     13.7     5.8
   79   3   2   6  25.985  51.971  1.75806      163.6      9.0      8.8     5.8
   80   4   1   4  26.084  52.167  1.7519       150.6      8.3      8.1     5.8
   81   2   1  13  26.145  52.29   1.74809      105.6      5.8      5.7     5.8
   82   4   1   5  26.598  53.195  1.72045      332.2     18.2     17.8     5.8
   83   1   1  15  26.861  53.722  1.70482       99.8      5.5      5.3     5.8
   84   4   1   6  27.216  54.433  1.68421      128.1      7.0      6.8     5.8
   85   1   0  16  27.381  54.762  1.67487       50.0      2.7      2.7     5.8
   86   3   2   8  27.566  55.133  1.66448      296.8     16.3     15.8     5.8
   87   5   0   0  27.628  55.256  1.66105       61.4      3.4      3.3     5.8
   88   2   1  14  27.664  55.329  1.65905       61.2      3.4      3.3     5.8
   89   4   0  10  27.757  55.513  1.65397       42.7      2.3      2.3     5.8
   90   2   2  12  27.789  55.578  1.65219      263.0     14.4     14.0     5.8
   91   5   0   2  27.849  55.697  1.64894      168.8      9.3      9.0     5.8
   92   4   1   7  27.936  55.872  1.6442        27.9      1.5      1.5     5.8
   93   3   1  12  28.382  56.765  1.62044       26.3      1.4      1.4     5.8
   94   5   0   4  28.503  57.006  1.61414      134.9      7.4      7.2     5.8
   95   4   1   8  28.751  57.502  1.6014       122.1      6.7      6.5     5.8
   96   3   3   0  28.811  57.622  1.59835      176.2      9.7      9.4     5.8
   97   3   0  14  28.846  57.693  1.59656       55.8      3.1      3.0     5.8
   98   2   0  16  29.154  58.307  1.58119      344.0     18.9     18.3     5.8
   99   2   1  15  29.237  58.473  1.57709       66.5      3.6      3.5     5.8
  100   3   3   3  29.292  58.585  1.57435       20.6      1.1      1.1     5.8
  101   4   2   1  29.444  58.888  1.56697       66.0      3.6      3.5     5.8
  102   3   2  10  29.514  59.029  1.56357      257.6     14.1     13.7     5.8
  103   5   0   6  29.573  59.147  1.56073       72.4      4.0      3.8     5.8
  104   4   1   9  29.657  59.315  1.55671      116.4      6.4      6.2     5.8
  105   4   2   3  29.866  59.733  1.54681       55.2      3.0      2.9     5.8
  106   4   0  12  30.117  60.233  1.53515       38.9      2.1      2.1     5.8
  107   4   2   4  30.233  60.466  1.52979       22.3      1.2      1.2     5.8
  108   3   3   6  30.708  61.417  1.50837       89.7      4.9      4.7     5.8
  109   2   1  16  30.861  61.722  1.50165       20.3      1.1      1.1     5.8
  110   1   0  18  31.01   62.019  1.49517       26.9      1.5      1.4     5.8
  111   5   1   1  31.142  62.283  1.48946      141.7      7.8      7.5     5.8
  112   5   1   2  31.295  62.59   1.48288       36.3      2.0      1.9     5.8
  113   5   1   3  31.55   63.101  1.47211       72.6      4.0      3.8     5.9
  114   4   1  11  31.727  63.454  1.46476      122.2      6.7      6.4     5.9
  115   3   2  12  31.793  63.586  1.46205       82.3      4.5      4.3     5.9
  116   5   1   4  31.906  63.812  1.45742       53.3      2.9      2.8     5.9
  117   3   0  16  31.969  63.938  1.45484      176.5      9.7      9.3     5.9
  118   3   3   8  32.138  64.275  1.44802       33.0      1.8      1.7     5.9
  119   3   1  15  32.593  65.186  1.42997       84.7      4.6      4.5     5.9
  120   2   0  18  32.659  65.319  1.42738      105.6      5.8      5.6     5.9
  121   5   0  10  32.854  65.708  1.41987      209.1     11.5     11.0     5.9
  122   5   1   6  32.91   65.819  1.41774       96.4      5.3      5.1     5.9
  123   3   2  13  33.047  66.095  1.4125        34.7      1.9      1.8     5.9
  124   5   1   7  33.554  67.107  1.39363       48.9      2.7      2.6     5.9
  125   6   0   0  33.812  67.625  1.38421      105.9      5.8      5.5     5.9
  126   1   1  19  33.953  67.907  1.37915       77.6      4.3      4.1     5.9
  127   3   1  16  34.126  68.252  1.37302      119.3      6.5      6.2     5.9
  128   5   1   8  34.289  68.578  1.36728       48.5      2.7      2.5     5.9
  129   4   3   0  34.343  68.687  1.36538      144.7      7.9      7.6     5.9
  130   4   3   1  34.392  68.784  1.36368      173.7      9.5      9.1     5.9
  131   4   2  10  34.457  68.914  1.36144       40.7      2.2      2.1     5.9
  132   4   3   2  34.538  69.076  1.35863       21.9      1.2      1.1     5.9
  133   4   3   3  34.781  69.562  1.35033      141.5      7.8      7.4     5.9

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)