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       ***
                  ***********************
ARGYRODITE

2, beta, analogue

Ag(7)PSe(6)


Cubic  P 2(1)3  Z = 4

R =0.0267          NR =1125

19 .4 .1900

Ref.Str.:

         M. Evain, E. Gaudin, F. Boucher, V. Petricek, F. Taulelle (1998)

         * Acta Cryst., B54, 376-383

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  10.772    alpha =   90.0 
             b =  10.772    beta  =   90.0 
             c =  10.772    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1249.94

    Molar volume ( cub.cm/mol.) =   188.22

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

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

   1 0.7521  0.7521  0.7521   0.01   P     = 1.00
   2 0.8718  0.8718  0.8718   0.18   Se    = 1.00
   3 0.3546  0.3758  0.8728   0.02   Se    = 1.00
   4 0.2145  0.2145  0.2145   0.02   Se    = 1.00
   5 0.4832  0.4832  0.4832   0.23   Se    = 1.00
   6 0.0717  0.8972  0.7276   0.05   Ag    = 1.00
   7 0.3488  0.3488  0.3488   0.07   Ag    = 1.00
   8 0.0195  0.0097  0.2752   0.05   Ag    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.7521     0.7521     0.7521
     2       2     0.8718     0.8718     0.8718
     3       3     0.3546     0.3758     0.8728
     4       4     0.2145     0.2145     0.2145
     5       5     0.4832     0.4832     0.4832
     6       6     0.0717     0.8972     0.7276
     7       7     0.3488     0.3488     0.3488
     8       8     0.0195     0.0097     0.2752
     9       1     0.7479     0.2479     0.2521
    10       2     0.6282     0.1282     0.3718
    11       3     0.1454     0.6242     0.3728
    12       4     0.2855     0.7855     0.7145
    13       5     0.0168     0.5168     0.9832
    14       6     0.4283     0.1028     0.2276
    15       7     0.1512     0.6512     0.8488
    16       8     0.4805     0.9903     0.7752
    17       1     0.2479     0.2521     0.7479
    18       2     0.1282     0.3718     0.6282
    19       3     0.6454     0.8758     0.6272
    20       4     0.7855     0.7145     0.2855
    21       5     0.5168     0.9832     0.0168
    22       6     0.9283     0.3972     0.7724
    23       7     0.6512     0.8488     0.1512
    24       8     0.9805     0.5097     0.2248
    25       1     0.2521     0.7479     0.2479
    26       2     0.3718     0.6282     0.1282
    27       3     0.8546     0.1242     0.1272
    28       4     0.7145     0.2855     0.7855
    29       5     0.9832     0.0168     0.5168
    30       6     0.5717     0.6028     0.2724
    31       7     0.8488     0.1512     0.6512
    32       8     0.5195     0.4903     0.7248
    33       3     0.3758     0.8728     0.3546
    34       3     0.8728     0.3546     0.3758
    35       6     0.8972     0.7276     0.0717
    36       6     0.7276     0.0717     0.8972
    37       8     0.0097     0.2752     0.0195
    38       8     0.2752     0.0195     0.0097
    39       3     0.6242     0.3728     0.1454
    40       3     0.3728     0.1454     0.6242
    41       6     0.1028     0.2276     0.4283
    42       6     0.2276     0.4283     0.1028
    43       8     0.9903     0.7752     0.4805
    44       8     0.7752     0.4805     0.9903
    45       3     0.8758     0.6272     0.6454
    46       3     0.6272     0.6454     0.8758
    47       6     0.3972     0.7724     0.9283
    48       6     0.7724     0.9283     0.3972
    49       8     0.5097     0.2248     0.9805
    50       8     0.2248     0.9805     0.5097
    51       3     0.1242     0.1272     0.8546
    52       3     0.1272     0.8546     0.1242
    53       6     0.6028     0.2724     0.5717
    54       6     0.2724     0.5717     0.6028
    55       8     0.4903     0.7248     0.5195
    56       8     0.7248     0.5195     0.4903


X-ray density (g/cm cub.)   =      6.69

MU (1/cm) =    1116.654    Mass attenuation coefficient (cm**2/g) =    166.853

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

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

    1    P                   2.916        4
                                                 2.2333       2
                                                 2.2151       3
                                                 2.2151       3
                                                 2.2151       3
    2    Se                  4.632        9
                                                 4.3015       5
                                                 3.5905       3
                                                 4.3015       5
                                                 3.8724       3
                                                 4.3015       5
                                                 3.5905       3
                                                 3.5905       3
                                                 3.8724       3
                                                 3.8724       3
    3    Se                  4.632       10
                                                 4.3411       4
                                                 4.5684       5
                                                 4.1185       5
                                                 3.5905       2
                                                 3.8724       2
                                                 4.1061       4
                                                 4.1301       3
                                                 3.6564       3
                                                 4.1301       3
                                                 3.6564       3
    4    Se                  4.632        9
                                                 4.3411       3
                                                 4.6203       5
                                                 4.6203       5
                                                 4.1061       3
                                                 4.6203       5
                                                 4.3411       3
                                                 4.3411       3
                                                 4.1061       3
                                                 4.1061       3
    5    Se                  4.632       12
                                                 4.5684       3
                                                 4.3015       2
                                                 4.1185       3
                                                 4.6203       4
                                                 4.3015       2
                                                 4.6203       4
                                                 4.3015       2
                                                 4.6203       4
                                                 4.5684       3
                                                 4.5684       3
                                                 4.1185       3
                                                 4.1185       3
    6    Ag                  3.672        4
                                                 2.6692       2
                                                 2.6023       4
                                                 2.7794       5
                                                 2.8861       3
    7    Ag                  3.672        2
                                                 2.5057       4
                                                 2.5076       5
    8    Ag                  3.672        4
                                                 3.1156       4
                                                 2.6867       3
                                                 2.6328       5
                                                 2.6044       3

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

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

    1   1   1   0  5.804  11.608   0.066  192.6    12       25.6       96.7
    2   1   1   1  7.115  14.229   0.08   127.42    8      174.2     1979.1
    3   2   0   0  8.222  16.445   0.093   94.84    6       26.8       26.1
    4   1   2   0  9.201  18.402   0.104   75.3    12       44.0      111.9
    5   2   1   0  9.201  18.402   0.104   75.3    12       33.0       63.0
    6   1   1   2 10.088  20.176   0.114   62.27   24       37.7      135.8
    7   2   2   0 11.669  23.338   0.131   46.01   12        5.6        1.1
    8   2   2   1 12.388  24.775   0.139   40.59   24      167.7     1753.4
    9   1   3   0 13.069  26.138   0.147   36.26   12      114.8      367.2
   10   3   1   0 13.069  26.138   0.147   36.26   12      133.3      494.8
   11   1   1   3 13.719  27.438   0.154   32.72   24      142.5     1020.2
   12   2   2   2 14.342  28.684   0.161   29.77    8      868.1    11487.9
   13   2   3   0 14.941  29.882   0.167   27.28   12      303.9     1934.5
   14   3   2   0 14.941  29.882   0.167   27.28   12      181.5      690.4
   15   1   2   3 15.519  31.038   0.174   25.14   24      306.0     3616.7
   16   3   2   1 15.519  31.038   0.174   25.14   24      155.4      933.2
   17   4   0   0 16.62   33.241   0.186   21.68    6       50.3       21.1
   18   1   4   0 17.148  34.295   0.191   20.26   12       34.9       18.9
   19   2   2   3 17.148  34.295   0.191   20.26   24      101.2      318.5
   20   4   1   0 17.148  34.295   0.191   20.26   12       33.2       17.2
   21   1   1   4 17.661  35.322   0.197   18.99   24      399.4     4653.1
   22   3   3   0 17.661  35.322   0.197   18.99   12      121.9      216.6
   23   3   3   1 18.161  36.323   0.202   17.86   24      132.9      484.5
   24   2   4   0 18.65   37.301   0.208   16.85   12      185.9      447.2
   25   4   2   0 18.65   37.301   0.208   16.85   12      364.3     1718.0
   26   1   2   4 19.129  38.257   0.213   15.93   24      262.3     1683.7
   27   4   2   1 19.129  38.257   0.213   15.93   24      142.6      497.8
   28   3   3   2 19.597  39.194   0.218   15.1    24      285.9     1896.6
   29   2   2   4 20.507  41.013   0.227   13.65   24      180.2      681.0
   30   3   4   0 20.949  41.898   0.232   13.02   12      347.4     1206.6
   31   4   3   0 20.949  41.898   0.232   13.02   12      155.7      242.4
   32   1   3   4 21.384  42.768   0.237   12.43   24      160.6      492.4
   33   1   5   0 21.384  42.768   0.237   12.43   12      325.3     1010.2
   34   4   3   1 21.384  42.768   0.237   12.43   24      254.8     1240.0
   35   5   1   0 21.384  42.768   0.237   12.43   12      236.9      535.7
   36   1   1   5 21.812  43.624   0.241   11.89   24      393.8     2832.6
   37   3   3   3 21.812  43.624   0.241   11.89    8      465.6     1319.6
   38   2   3   4 22.649  45.297   0.25    10.92   24      157.8      417.9
   39   2   5   0 22.649  45.297   0.25    10.92   12      294.7      728.9
   40   4   3   2 22.649  45.297   0.25    10.92   24       47.4       37.7
   41   5   2   0 22.649  45.297   0.25    10.92   12       20.4        3.5
   42   1   2   5 23.058  46.116   0.254   10.49   24      323.4     1685.5
   43   5   2   1 23.058  46.116   0.254   10.49   24      154.6      385.2
   44   4   4   0 23.86   47.721   0.263    9.71   12      815.1     4953.4
   45   2   2   5 24.254  48.508   0.267    9.35   24      199.9      573.9
   46   4   4   1 24.254  48.508   0.267    9.35   24      176.4      446.9
   47   3   3   4 24.643  49.285   0.271    9.02   24      154.3      330.0
   48   3   5   0 24.643  49.285   0.271    9.02   12      275.2      524.7
   49   5   3   0 24.643  49.285   0.271    9.02   12       74.6       38.5
   50   1   3   5 25.027  50.054   0.275    8.71   24      102.5      140.5
   51   5   3   1 25.027  50.054   0.275    8.71   24      298.9     1195.1
   52   4   4   2 25.407  50.814   0.278    8.42   24       77.0       76.7
   53   6   0   0 25.407  50.814   0.278    8.42    6       44.1        6.3
   54   1   6   0 25.783  51.566   0.282    8.14   12       94.5       55.8
   55   6   1   0 25.783  51.566   0.282    8.14   12       92.4       53.4
   56   1   1   6 26.155  52.31    0.286    7.88   24      118.6      170.3
   57   2   3   5 26.155  52.31    0.286    7.88   24      124.4      187.1
   58   5   3   2 26.155  52.31    0.286    7.88   24       83.6       84.6
   59   2   6   0 26.888  53.777   0.294    7.4    12       68.4       26.6
   60   6   2   0 26.888  53.777   0.294    7.4    12        1.2        0.0
   61   1   2   6 27.25   54.5     0.297    7.17   24      148.3      242.3
   62   4   4   3 27.25   54.5     0.297    7.17   24       98.0      105.8
   63   4   5   0 27.25   54.5     0.297    7.17   12       67.1       24.8
   64   5   4   0 27.25   54.5     0.297    7.17   12       21.3        2.5
   65   6   2   1 27.25   54.5     0.297    7.17   24      175.4      338.9
   66   1   4   5 27.608  55.216   0.301    6.96   24      186.1      370.4
   67   5   4   1 27.608  55.216   0.301    6.96   24       36.2       14.0
   68   3   3   5 27.963  55.927   0.304    6.77   24      162.8      275.4
   69   2   2   6 28.316  56.631   0.308    6.58   24      363.3     1333.1
   70   2   4   5 28.665  57.33    0.311    6.4    24      116.7      133.7
   71   3   6   0 28.665  57.33    0.311    6.4    12       79.7       31.2
   72   5   4   2 28.665  57.33    0.311    6.4    24      168.9      280.2
   73   6   3   0 28.665  57.33    0.311    6.4    12       45.3       10.1
   74   1   3   6 29.012  58.023   0.315    6.22   24      292.5      818.1
   75   6   3   1 29.012  58.023   0.315    6.22   24      329.0     1035.0
   76   4   4   4 29.697  59.395   0.322    5.91    8      128.3       49.8
   77   2   3   6 30.037  60.073   0.325    5.76   24      145.7      187.7
   78   6   3   2 30.037  60.073   0.325    5.76   24      166.7      245.9
   79   1   7   0 30.374  60.747   0.328    5.62   12       17.8        1.4
   80   3   4   5 30.374  60.747   0.328    5.62   24      221.4      423.0
   81   5   4   3 30.374  60.747   0.328    5.62   24      204.4      360.6
   82   5   5   0 30.374  60.747   0.328    5.62   12       13.9        0.8
   83   7   1   0 30.374  60.747   0.328    5.62   12       57.1       14.0
   84   1   1   7 30.708  61.416   0.331    5.48   24      213.1      382.5
   85   5   5   1 30.708  61.416   0.331    5.48   24       57.6       27.9
   86   4   6   0 31.041  62.082   0.335    5.35   12       38.7        6.1
   87   6   4   0 31.041  62.082   0.335    5.35   12       14.5        0.9
   88   1   4   6 31.371  62.743   0.338    5.23   24      117.4      110.8
   89   2   7   0 31.371  62.743   0.338    5.23   12      101.9       41.7
   90   6   4   1 31.371  62.743   0.338    5.23   24      130.5      136.8
   91   7   2   0 31.371  62.743   0.338    5.23   12      286.5      329.6
   92   1   2   7 31.7    63.4     0.341    5.11   24      198.2      308.3
   93   3   3   6 31.7    63.4     0.341    5.11   24       88.1       60.9
   94   5   5   2 31.7    63.4     0.341    5.11   24      100.5       79.2
   95   7   2   1 31.7    63.4     0.341    5.11   24      166.1      216.7
   96   2   4   6 32.352  64.703   0.347    4.89   24      120.8      109.6
   97   6   4   2 32.352  64.703   0.347    4.89   24      256.3      493.3
   98   2   2   7 32.675  65.35    0.35     4.79   24      192.1      271.3
   99   4   4   5 32.675  65.35    0.35     4.79   24      215.0      339.7
  100   3   7   0 32.996  65.993   0.353    4.69   12      184.3      122.2
  101   7   3   0 32.996  65.993   0.353    4.69   12      174.5      109.6
  102   1   3   7 33.316  66.633   0.357    4.59   24      107.7       81.9
  103   5   5   3 33.316  66.633   0.357    4.59   24      241.0      409.5
  104   7   3   1 33.316  66.633   0.357    4.59   24       62.1       27.2
  105   3   4   6 33.952  67.903   0.363    4.41   24      241.4      394.9
  106   5   6   0 33.952  67.903   0.363    4.41   12      188.4      120.3
  107   6   4   3 33.952  67.903   0.363    4.41   24      178.9      216.8
  108   6   5   0 33.952  67.903   0.363    4.41   12       37.3        4.7
  109   1   5   6 34.267  68.534   0.365    4.33   24       55.1       20.2
  110   2   3   7 34.267  68.534   0.365    4.33   24      220.5      323.3
  111   6   5   1 34.267  68.534   0.365    4.33   24      176.1      206.1
  112   7   3   2 34.267  68.534   0.365    4.33   24      147.4      144.4
  113   8   0   0 34.894  69.788   0.371    4.17    6      574.7      528.9
  114   1   8   0 35.206  70.411   0.374    4.1    12      217.1      148.3
  115   2   5   6 35.206  70.411   0.374    4.1    24      239.8      361.9
  116   4   7   0 35.206  70.411   0.374    4.1    12      118.0       43.8
  117   6   5   2 35.206  70.411   0.374    4.1    24      134.3      113.4
  118   7   4   0 35.206  70.411   0.374    4.1    12      348.3      381.7
  119   8   1   0 35.206  70.411   0.374    4.1    12      269.0      227.6
  120   1   1   8 35.516  71.032   0.377    4.03   24      207.2      265.4
  121   1   4   7 35.516  71.032   0.377    4.03   24       43.2       11.5
  122   5   5   4 35.516  71.032   0.377    4.03   24      168.3      175.1
  123   7   4   1 35.516  71.032   0.377    4.03   24       12.4        0.9
  124   3   3   7 35.825  71.65    0.38     3.96   24      179.2      195.3
  125   2   8   0 36.133  72.267   0.383    3.89   12      212.7      135.3
  126   4   4   6 36.133  72.267   0.383    3.89   24      299.2      535.1
  127   8   2   0 36.133  72.267   0.383    3.89   12       45.5        6.2
  128   1   2   8 36.44   72.881   0.386    3.83   24      106.1       66.2
  129   2   4   7 36.44   72.881   0.386    3.83   24      149.0      130.5
  130   7   4   2 36.44   72.881   0.386    3.83   24      138.0      111.9
  131   8   2   1 36.44   72.881   0.386    3.83   24      175.7      181.5
  132   3   5   6 36.746  73.493   0.388    3.77   24       77.7       35.0
  133   6   5   3 36.746  73.493   0.388    3.77   24      181.2      190.0
  134   2   2   8 37.356  74.712   0.394    3.65   24      100.2       56.4
  135   6   6   0 37.356  74.712   0.394    3.65   12      330.7      307.0
  136   3   8   0 37.659  75.318   0.397    3.6    12      285.0      224.8
  137   6   6   1 37.659  75.318   0.397    3.6    24      239.2      316.7
  138   8   3   0 37.659  75.318   0.397    3.6    12       17.4        0.8
  139   1   3   8 37.961  75.923   0.399    3.55   24      140.4      107.5
  140   3   4   7 37.961  75.923   0.399    3.55   24      223.1      271.5
  141   5   7   0 37.961  75.923   0.399    3.55   12      256.5      179.5
  142   7   4   3 37.961  75.923   0.399    3.55   24       89.9       44.0
  143   7   5   0 37.961  75.923   0.399    3.55   12      122.1       40.6
  144   8   3   1 37.961  75.923   0.399    3.55   24      104.2       59.2
  145   1   5   7 38.263  76.526   0.402    3.5    24      210.4      238.1
  146   5   5   5 38.263  76.526   0.402    3.5     8      347.7      216.8
  147   7   5   1 38.263  76.526   0.402    3.5    24      242.6      316.6
  148   6   6   2 38.564  77.128   0.405    3.45   24      339.5      611.8
  149   2   3   8 38.864  77.728   0.407    3.41   24      139.1      101.3
  150   4   5   6 38.864  77.728   0.407    3.41   24       36.3        6.9
  151   6   5   4 38.864  77.728   0.407    3.41   24       13.2        0.9
  152   8   3   2 38.864  77.728   0.407    3.41   24      100.0       52.4
  153   2   5   7 39.164  78.327   0.41     3.37   24       88.3       40.3
  154   7   5   2 39.164  78.327   0.41     3.37   24      290.2      435.4
  155   4   8   0 39.761  79.522   0.415    3.29   12      178.2       80.1
  156   8   4   0 39.761  79.522   0.415    3.29   12       64.1       10.4
  157   1   4   8 40.058  80.117   0.418    3.25   24      219.9      241.3
  158   4   4   7 40.058  80.117   0.418    3.25   24      204.3      208.2
  159   6   6   3 40.058  80.117   0.418    3.25   24      187.3      175.0
  160   8   4   1 40.058  80.117   0.418    3.25   24      244.2      297.5
  161   1   9   0 40.356  80.711   0.42     3.21   12      272.7      183.4
  162   3   3   8 40.356  80.711   0.42     3.21   24       60.1       17.8
  163   9   1   0 40.356  80.711   0.42     3.21   12      135.0       44.9
  164   1   1   9 40.652  81.304   0.423    3.18   24      250.0      305.1
  165   3   5   7 40.652  81.304   0.423    3.18   24      146.6      104.9
  166   7   5   3 40.652  81.304   0.423    3.18   24      320.3      500.7
  167   2   4   8 40.948  81.897   0.425    3.14   24      128.9       80.2
  168   8   4   2 40.948  81.897   0.425    3.14   24      151.3      110.6
  169   2   9   0 41.244  82.488   0.428    3.11   12       70.7       11.9
  170   6   7   0 41.244  82.488   0.428    3.11   12       78.4       14.7
  171   7   6   0 41.244  82.488   0.428    3.11   12      159.3       60.7
  172   9   2   0 41.244  82.488   0.428    3.11   12      121.6       35.3
  173   1   2   9 41.539  83.079   0.43     3.08   24      111.9       59.3
  174   1   6   7 41.539  83.079   0.43     3.08   24      199.8      189.0
  175   5   5   6 41.539  83.079   0.43     3.08   24       90.8       39.0
  176   7   6   1 41.539  83.079   0.43     3.08   24       79.0       29.5
  177   9   2   1 41.539  83.079   0.43     3.08   24       37.9        6.8
  178   6   6   4 42.129  84.258   0.435    3.03   24       27.8        3.6
  179   2   2   9 42.423  84.846   0.438    3.0    24      141.3       92.1
  180   2   6   7 42.423  84.846   0.438    3.0    24      169.0      131.6
  181   3   4   8 42.423  84.846   0.438    3.0    24      199.3      183.1
  182   5   8   0 42.423  84.846   0.438    3.0    12      165.9       63.4
  183   7   6   2 42.423  84.846   0.438    3.0    24      188.9      164.4
  184   8   4   3 42.423  84.846   0.438    3.0    24      283.9      371.5
  185   8   5   0 42.423  84.846   0.438    3.0    12       52.6        6.4
  186   1   5   8 42.717  85.434   0.44     2.98   24      109.9       55.2
  187   3   9   0 42.717  85.434   0.44     2.98   12       20.7        1.0
  188   4   5   7 42.717  85.434   0.44     2.98   24       89.1       36.3
  189   7   5   4 42.717  85.434   0.44     2.98   24      124.2       70.5
  190   8   5   1 42.717  85.434   0.44     2.98   24      117.1       62.7
  191   9   3   0 42.717  85.434   0.44     2.98   12      215.4      106.1
  192   1   3   9 43.011  86.022   0.443    2.95   24      228.3      236.4
  193   9   3   1 43.011  86.022   0.443    2.95   24      203.5      187.9
  194   2   5   8 43.598  87.196   0.448    2.91   24      215.8      208.3
  195   8   5   2 43.598  87.196   0.448    2.91   24       59.7       15.9
  196   2   3   9 43.891  87.783   0.45     2.89   24      116.2       59.9
  197   3   6   7 43.891  87.783   0.45     2.89   24      123.4       67.6
  198   7   6   3 43.891  87.783   0.45     2.89   24       88.1       34.5
  199   9   3   2 43.891  87.783   0.45     2.89   24      168.2      125.6
  200   4   4   8 44.477  88.955   0.455    2.86   24      509.8     1140.2
  201   4   9   0 44.77   89.541   0.457    2.84   12      255.8      142.7
  202   6   6   5 44.77   89.541   0.457    2.84   24       77.6       26.3
  203   9   4   0 44.77   89.541   0.457    2.84   12       67.5       10.0


  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   1   1   1   7.115  14.229  6.21922     1979.1     17.2     17.4     5.6
    2   1   2   0   9.201  18.402  4.81739      174.9      1.5      1.5     5.6
    3   1   1   2  10.088  20.176  4.39765      135.8      1.2      1.2     5.6
    4   2   2   1  12.388  24.775  3.59067     1753.4     15.3     15.3     5.6
    5   3   1   0  13.069  26.138  3.40641      862.0      7.5      7.5     5.6
    6   1   1   3  13.719  27.438  3.24788     1020.2      8.9      8.9     5.6
    7   2   2   2  14.342  28.684  3.10961    11487.9    100.0    100.0     5.6
    8   2   3   0  14.941  29.882  2.98762     2624.9     22.8     22.8     5.6
    9   1   2   3  15.519  31.038  2.87894     4549.9     39.6     39.5     5.6
   10   2   2   3  17.148  34.295  2.61259      354.6      3.1      3.1     5.7
   11   1   1   4  17.661  35.322  2.53899     4869.7     42.4     42.1     5.7
   12   3   3   1  18.161  36.323  2.47127      484.5      4.2      4.2     5.7
   13   4   2   0  18.65   37.301  2.40869     2165.2     18.8     18.7     5.7
   14   1   2   4  19.129  38.257  2.35064     2181.6     19.0     18.8     5.7
   15   3   3   2  19.597  39.194  2.2966      1896.6     16.5     16.4     5.7
   16   2   2   4  20.507  41.013  2.19883      681.0      5.9      5.9     5.7
   17   3   4   0  20.949  41.898  2.1544      1449.0     12.6     12.5     5.7
   18   5   1   0  21.384  42.768  2.11256     3278.3     28.5     28.2     5.7
   19   1   1   5  21.812  43.624  2.07307     4152.2     36.1     35.6     5.7
   20   2   5   0  22.649  45.297  2.00031     1188.0     10.3     10.2     5.7
   21   1   2   5  23.058  46.116  1.96669     2070.7     18.0     17.7     5.7
   22   4   4   0  23.86   47.721  1.90424     4953.4     43.1     42.3     5.7
   23   2   2   5  24.254  48.508  1.87516     1020.8      8.9      8.7     5.7
   24   3   5   0  24.643  49.285  1.84738      893.3      7.8      7.6     5.7
   25   5   3   1  25.027  50.054  1.8208      1335.6     11.6     11.4     5.7
   26   2   3   5  26.155  52.31   1.74745      442.1      3.8      3.8     5.8
   27   6   2   1  27.25   54.5    1.6823       714.3      6.2      6.1     5.8
   28   1   4   5  27.608  55.216  1.66216      384.4      3.3      3.3     5.8
   29   3   3   5  27.963  55.927  1.64271      275.4      2.4      2.3     5.8
   30   2   2   6  28.316  56.631  1.62394     1333.1     11.6     11.3     5.8
   31   5   4   2  28.665  57.33   1.6058       455.2      4.0      3.8     5.8
   32   6   3   1  29.012  58.023  1.58824     1853.1     16.1     15.6     5.8
   33   6   3   2  30.037  60.073  1.53886      433.6      3.8      3.6     5.8
   34   7   1   0  30.374  60.747  1.52339      799.8      7.0      6.7     5.8
   35   1   1   7  30.708  61.416  1.50838      410.4      3.6      3.4     5.8
   36   7   2   0  31.371  62.743  1.47965      618.8      5.4      5.2     5.9
   37   1   2   7  31.7    63.4    1.46588      665.1      5.8      5.6     5.9
   38   6   4   2  32.352  64.703  1.43947      602.9      5.2      5.0     5.9
   39   4   4   5  32.675  65.35   1.42679      611.0      5.3      5.1     5.9
   40   3   7   0  32.996  65.993  1.41443      231.9      2.0      1.9     5.9
   41   5   5   3  33.316  66.633  1.4024       518.6      4.5      4.3     5.9
   42   3   4   6  33.952  67.903  1.37921      736.7      6.4      6.1     5.9
   43   7   3   2  34.267  68.534  1.36805      693.9      6.0      5.8     5.9
   44   8   0   0  34.894  69.788  1.3465       528.9      4.6      4.4     5.9
   45   8   1   0  35.206  70.411  1.3361      1276.7     11.1     10.6     5.9
   46   1   1   8  35.516  71.032  1.32594      453.0      3.9      3.7     5.9
   47   3   3   7  35.825  71.65   1.31601      195.3      1.7      1.6     5.9
   48   4   4   6  36.133  72.267  1.3063       676.5      5.9      5.6     5.9
   49   8   2   1  36.44   72.881  1.2968       490.1      4.3      4.0     6.0
   50   6   5   3  36.746  73.493  1.2875       225.0      2.0      1.8     6.0
   51   6   6   0  37.356  74.712  1.26949      363.3      3.2      3.0     6.0
   52   6   6   1  37.659  75.318  1.26077      542.2      4.7      4.4     6.0
   53   5   7   0  37.961  75.923  1.25222      702.4      6.1      5.7     6.0
   54   7   5   1  38.263  76.526  1.24384      771.5      6.7      6.3     6.0
   55   6   6   2  38.564  77.128  1.23563      611.8      5.3      5.0     6.0
   56   2   3   8  38.864  77.728  1.22758      161.5      1.4      1.3     6.0
   57   7   5   2  39.164  78.327  1.21969      475.7      4.1      3.9     6.0
   58   8   4   1  40.058  80.117  1.19689      921.9      8.0      7.5     6.0
   59   1   9   0  40.356  80.711  1.18957      246.1      2.1      2.0     6.1
   60   7   5   3  40.652  81.304  1.18238      910.7      7.9      7.4     6.1
   61   8   4   2  40.948  81.897  1.17532      190.8      1.7      1.5     6.1
   62   9   2   0  41.244  82.488  1.16839      122.7      1.1      1.0     6.1
   63   1   6   7  41.539  83.079  1.16157      323.7      2.8      2.6     6.1
   64   8   4   3  42.423  84.846  1.14183     1012.5      8.8      8.1     6.1
   65   9   3   0  42.717  85.434  1.13547      331.8      2.9      2.7     6.1
   66   1   3   9  43.011  86.022  1.12921      424.3      3.7      3.4     6.1
   67   2   5   8  43.598  87.196  1.117        224.2      2.0      1.8     6.2
   68   9   3   2  43.891  87.783  1.11105      287.6      2.5      2.3     6.2
   69   4   4   8  44.477  88.955  1.09941     1140.2      9.9      9.0     6.2
   70   4   9   0  44.77   89.541  1.09373      178.9      1.6      1.4     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)