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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AGUILARITE

2, t-acanthite, f-acanthite

Ag(2)(Se,S)


Monoclinic  P 2(1)/n  Z = 4

P2(1)/n

21 .3 .14

Ref.Str.:

         Bindi L., Pingitore N.E. (2013)

         * Mineral. Mag., 77, 21-31

         R: from San Carlos mine, Guanajuato, Mexico.

         N.A.D.

                   Initial data from BDM-file 

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

             a =   4.2478   alpha =   90.0 
             b =   6.9432   beta  =  100.1 
             c =   8.0042   gamma =   90.0 

    Unit cell volume (cub. angs.) =   232.41

    Molar volume ( cub.cm/mol.) =    35.0 

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

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

   1 0.2884  0.3187  0.4314   0.0    Ag    = 1.00
   2 0.7544  0.0138  0.3012   0.0    Ag    = 1.00
   3 0.3603  0.2411  0.1305   0.0    Se    = 0.49, S     = 0.42, Te    = 0.09


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.2884     0.3187     0.4314
     2       2     0.7544     0.0138     0.3012
     3       3     0.3603     0.2411     0.1305
     4       1     0.7116     0.6813     0.5686
     5       2     0.2456     0.9862     0.6988
     6       3     0.6397     0.7589     0.8695
     7       1     0.7884     0.1813     0.9314
     8       2     0.2544     0.4862     0.8012
     9       3     0.8603     0.2589     0.6305
    10       1     0.2116     0.8187     0.0686
    11       2     0.7456     0.5138     0.1988
    12       3     0.1397     0.7411     0.3695


X-ray density (g/cm cub.)   =      7.98

MU (1/cm) =    1571.504    Mass attenuation coefficient (cm**2/g) =    196.885

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

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

    1    Ag                  3.888        4
                                                 2.5382       3
                                                 2.6936       3
                                                 2.6525       3
                                                 3.0224       3
    2    Ag                  3.888        6
                                                 3.4947       3
                                                 2.5213       3
                                                 3.8365       3
                                                 3.1038       3
                                                 2.4996       3
                                                 3.347        3
    3   Se   ,S    ,Te       5.064       14
                                                 4.2478       3
                                                 4.2478       3
                                                 4.4239       3
                                                 4.2255       3
                                                 4.9414       3
                                                 4.7646       3
                                                 4.1906       3
                                                 4.8503       3
                                                 4.8503       3
                                                 4.1906       3
                                                 4.9446       3
                                                 4.9446       3
                                                 4.1492       3
                                                 4.1492       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   0   1   1  8.503  17.006   0.096   88.54    4       15.5      157.2
    2   1   0  -1 11.115  22.23    0.125   50.92    2       44.6      375.7
    3   0   0   2 11.274  22.548   0.127   49.43    2       32.1      188.6
    4   1   1   0 12.417  24.834   0.14    40.39    4       17.9       96.2
    5   0   2   0 12.82   25.639   0.144   37.76    2       38.0      201.4
    6   1   1  -1 12.852  25.703   0.144   37.57    4       20.5      116.9
    7   1   0   1 12.894  25.789   0.145   37.3     2       30.6      129.6
    8   0   1   2 12.99   25.98    0.146   36.72    4       29.1      230.9
    9   0   2   1 14.032  28.063   0.157   31.19    4       17.6       71.3
   10   1   1   1 14.431  28.862   0.162   29.38    4      134.3     3923.2
   11   1   1  -2 15.545  31.09    0.174   25.05    4      154.8     4442.7
   12   1   2   0 16.76   33.521   0.187   21.29    4      134.3     2842.7
   13   1   2  -1 17.094  34.187   0.191   20.4     4      219.5     7278.2
   14   0   2   2 17.201  34.402   0.192   20.12    4      181.2     4894.5
   15   1   1   2 18.155  36.31    0.202   17.88    4      134.6     2398.3
   16   0   1   3 18.272  36.545   0.204   17.63    4      138.0     2486.6
   17   1   2   1 18.342  36.684   0.204   17.48    4      242.8     7631.0
   18   1   0  -3 18.528  37.055   0.206   17.1     2      323.2     6614.2
   19   1   2  -2 19.254  38.509   0.214   15.71    4       24.8       71.3
   20   1   1  -3 19.668  39.336   0.218   14.98    4       31.4      109.7
   21   0   3   1 20.297  40.593   0.225   13.97    4      182.2     3436.2
   22   1   2   2 21.474  42.948   0.238   12.31    4       75.6      521.9
   23   0   2   3 21.576  43.152   0.239   12.18    4      113.3     1158.3
   24   2   0   0 21.616  43.232   0.239   12.13    2      284.7     3640.6
   25   1   0   3 21.88   43.759   0.242   11.81    2      200.9     1764.0
   26   1   3   0 22.358  44.716   0.247   11.25    4       20.3       34.4
   27   2   1  -1 22.377  44.755   0.247   11.22    4        2.9        0.7
   28   1   3  -1 22.62   45.241   0.25    10.95    4       36.3      106.9
   29   2   1   0 22.627  45.254   0.25    10.95    4      137.0     1521.6
   30   2   0  -2 22.679  45.358   0.25    10.89    2        9.7        3.8
   31   0   3   2 22.705  45.411   0.251   10.86    4       69.7      390.9
   32   1   2  -3 22.803  45.606   0.252   10.76    4       85.4      580.9
   33   1   1   3 22.881  45.762   0.252   10.67    4      151.4     1811.1
   34   0   0   4 23.017  46.034   0.254   10.53    2       59.1      136.0
   35   1   3   1 23.623  47.245   0.26     9.93    4       44.7      147.1
   36   2   1  -2 23.654  47.308   0.26     9.9     4      109.7      882.5
   37   0   1   4 23.981  47.962   0.264    9.6     4      122.7     1070.5
   38   2   1   1 24.366  48.731   0.268    9.26    4        4.5        1.4
   39   1   3  -2 24.372  48.743   0.268    9.25    4       51.5      181.8
   40   1   1  -4 24.642  49.285   0.271    9.02    4       74.1      367.3
   41   2   2  -1 25.242  50.485   0.277    8.54    4       63.2      252.4
   42   2   2   0 25.47   50.941   0.279    8.37    4       41.1      104.6
   43   1   2   3 25.703  51.406   0.282    8.2     4        2.5        0.4
   44   1   3   2 26.245  52.49    0.287    7.82    4        3.5        0.7
   45   2   1  -3 26.285  52.571   0.287    7.79    4       94.8      517.8
   46   0   3   3 26.333  52.665   0.288    7.76    4       79.6      364.2
   47   0   4   0 26.344  52.688   0.288    7.75    2      175.8      886.9
   48   2   2  -2 26.414  52.827   0.289    7.7     4      198.6     2249.9
   49   2   0   2 26.507  53.015   0.29     7.64    2       51.7       75.7
   50   0   2   4 26.716  53.432   0.292    7.51    4      121.7      823.1
   51   0   4   1 27.026  54.053   0.295    7.31    4       84.2      383.5
   52   2   2   1 27.072  54.144   0.295    7.28    4       32.6       57.4
   53   1   2  -4 27.329  54.658   0.298    7.13    4       24.1       30.7
   54   2   1   2 27.38   54.761   0.299    7.1     4       42.6       95.2
   55   1   3  -3 27.397  54.794   0.299    7.09    4       11.5        7.0
   56   1   1   4 28.274  56.548   0.307    6.6     4       73.0      260.3
   57   1   4   0 28.716  57.432   0.312    6.37    4       66.7      209.6
   58   2   2  -3 28.864  57.728   0.313    6.3     4      100.9      475.0
   59   1   4  -1 28.936  57.871   0.314    6.26    4      117.6      641.8
   60   0   4   2 29.007  58.014   0.315    6.23    4      113.0      589.0
   61   2   0  -4 29.203  58.406   0.317    6.13    2       55.3       69.3
   62   1   0  -5 29.416  58.831   0.319    6.03    2       67.9      103.0
   63   2   3  -1 29.561  59.123   0.32     5.97    4      115.6      590.7
   64   2   3   0 29.766  59.533   0.322    5.88    4       82.1      293.6
   65   1   4   1 29.783  59.565   0.322    5.87    4       45.8       91.0
   66   2   2   2 29.896  59.791   0.324    5.82    4      100.2      432.6
   67   1   3   3 29.976  59.953   0.324    5.78    4       59.1      149.8
   68   2   1  -4 30.024  60.048   0.325    5.76    4       14.6        9.1
   69   0   1   5 30.078  60.157   0.325    5.74    4      154.9     1019.3
   70   1   1  -5 30.233  60.466   0.327    5.67    4       26.2       28.9
   71   1   4  -2 30.424  60.848   0.329    5.6     4       80.5      268.2
   72   2   3  -2 30.62   61.24    0.331    5.52    4        2.1        0.2
   73   1   2   4 30.743  61.485   0.332    5.47    4       18.9       14.5
   74   0   3   4 30.895  61.79    0.333    5.41    4       72.8      212.0
   75   2   3   1 31.22   62.441   0.336    5.28    4      154.2      930.4
   76   2   1   3 31.43   62.859   0.338    5.21    4      135.7      710.3
   77   1   3  -4 31.455  62.911   0.339    5.2     4      226.4     1972.3
   78   1   4   2 32.057  64.113   0.345    4.99    4      139.6      719.5
   79   0   4   3 32.134  64.268   0.345    4.96    4       81.7      245.1
   80   2   2  -4 32.411  64.822   0.348    4.87    4      107.2      414.6
   81   0   2   5 32.463  64.926   0.348    4.85    4       83.1      248.2
   82   1   2  -5 32.611  65.222   0.35     4.81    4       34.1       41.3
   83   2   3  -3 32.871  65.741   0.352    4.72    4      108.8      414.2
   84   3   0  -1 32.957  65.914   0.353    4.7     2       70.9       87.4
   85   1   4  -3 33.079  66.159   0.354    4.66    4      112.0      433.0
   86   1   0   5 33.485  66.969   0.358    4.54    2       52.3       46.0
   87   3   1  -1 33.725  67.45    0.36     4.47    4       20.4       13.8
   88   2   2   3 33.761  67.522   0.361    4.46    4       80.2      212.9
   89   2   3   2 33.831  67.662   0.361    4.44    4       15.1        7.5
   90   1   1   5 34.247  68.493   0.365    4.33    4       51.1       83.7
   91   0   5   1 34.281  68.561   0.366    4.32    4       67.2      144.8
   92   3   1   0 34.305  68.611   0.366    4.32    4       38.8       48.2
   93   3   1  -2 34.325  68.65    0.366    4.31    4      109.0      379.7
   94   1   3   4 34.624  69.249   0.369    4.24    4      211.9     1409.4
   95   2   1  -5 34.678  69.357   0.369    4.22    4      161.6      816.7
   96   2   4  -1 35.034  70.069   0.373    4.14    4      136.0      566.6
   97   2   4   0 35.222  70.443   0.374    4.09    4      104.0      327.9
   98   3   0   1 35.296  70.591   0.375    4.08    2      123.4      229.9
   99   3   0  -3 35.334  70.669   0.375    4.07    2      201.4      610.8
  100   1   4   3 35.414  70.828   0.376    4.05    4       42.8       54.9
  101   2   0   4 35.615  71.231   0.378    4.0     2       60.3       53.9
  102   1   5   0 35.766  71.533   0.379    3.97    4       14.2        5.9
  103   0   0   6 35.909  71.818   0.381    3.94    2       43.5       27.6
  104   1   5  -1 35.962  71.924   0.381    3.93    4      125.2      455.9
  105   3   2  -1 35.981  71.962   0.381    3.92    4      115.7      388.6
  106   2   4  -2 36.006  72.011   0.382    3.92    4       32.1       30.0
  107   0   5   2 36.025  72.051   0.382    3.91    4       81.4      192.3
  108   3   1   1 36.04   72.08    0.382    3.91    4      157.9      722.5
  109   3   1  -3 36.078  72.157   0.382    3.9     4       96.9      271.5
  110   2   3  -4 36.201  72.401   0.383    3.88    4        8.0        1.8
  111   0   3   5 36.25   72.5     0.384    3.87    4       43.3       53.8
  112   0   4   4 36.259  72.519   0.384    3.87    4       29.6       25.1
  113   2   1   4 36.357  72.714   0.385    3.85    4      152.2      659.9
  114   1   3  -5 36.391  72.781   0.385    3.84    4       67.8      130.7
  115   1   1  -6 36.41   72.821   0.385    3.83    4      118.4      398.0
  116   1   2   5 36.488  72.977   0.386    3.82    4        1.6        0.1
  117   3   2   0 36.545  73.091   0.387    3.81    4       87.4      215.4
  118   2   4   1 36.56   73.12    0.387    3.8     4       18.4        9.6
  119   3   2  -2 36.565  73.129   0.387    3.8     4       24.3       16.6
  120   0   1   6 36.648  73.297   0.387    3.79    4      126.2      446.4
  121   1   5   1 36.72   73.44    0.388    3.77    4       81.3      184.8
  122   1   4  -4 36.778  73.556   0.389    3.76    4       42.4       50.1
  123   2   2  -5 36.909  73.817   0.39     3.74    4       38.1       40.2
  124   1   5  -2 37.299  74.598   0.393    3.66    4      156.1      661.3
  125   2   3   3 37.487  74.974   0.395    3.63    4       25.9       18.1
  126   2   4  -3 38.1    76.199   0.401    3.53    4       71.8      134.5
  127   3   2   1 38.238  76.476   0.402    3.51    4       94.4      231.5
  128   3   2  -3 38.276  76.552   0.402    3.5     4       18.8        9.2
  129   2   2   4 38.549  77.098   0.405    3.46    4        4.3        0.5
  130   1   2  -6 38.601  77.202   0.405    3.45    4       70.2      125.8
  131   1   5   2 38.791  77.581   0.407    3.42    4      127.6      412.1
  132   0   2   6 38.834  77.668   0.407    3.41    4       85.5      184.9
  133   0   5   3 38.862  77.724   0.407    3.41    4       93.5      220.9
  134   3   1   2 38.867  77.733   0.407    3.41    4       77.0      149.6
  135   3   1  -4 38.923  77.846   0.408    3.4     4       69.3      120.9
  136   2   4   2 39.004  78.009   0.409    3.39    4      155.3      605.1
  137   2   0  -6 39.459  78.918   0.413    3.33    2      133.5      219.5
  138   3   3  -1 39.624  79.247   0.414    3.3     4        0.2        0.0
  139   1   5  -3 39.737  79.475   0.415    3.29    4       46.1       51.7
  140   1   4   4 39.757  79.514   0.415    3.29    4        9.4        2.1
  141   1   3   5 40.115  80.23    0.418    3.24    4       12.9        4.0
  142   3   3   0 40.171  80.341   0.419    3.23    4       51.1       62.6
  143   2   1  -6 40.176  80.351   0.419    3.23    4       39.8       37.9
  144   3   3  -2 40.189  80.379   0.419    3.23    4       44.1       46.6
  145   2   3  -5 40.523  81.047   0.422    3.19    4        4.0        0.4
  146   1   1   6 40.867  81.734   0.425    3.15    4      128.8      387.0
  147   3   2   2 41.016  82.032   0.426    3.14    4       72.4      121.7
  148   3   2  -4 41.072  82.143   0.426    3.13    4       58.2       78.5
  149   2   4  -4 41.264  82.528   0.428    3.11    4       24.5       13.8
  150   0   4   5 41.311  82.623   0.429    3.11    4       97.5      218.6
  151   1   4  -5 41.447  82.894   0.43     3.09    4       26.0       15.5
  152   2   5  -1 41.573  83.145   0.431    3.08    4       42.7       41.6
  153   0   6   0 41.732  83.463   0.432    3.06    2      125.1      177.6
  154   2   5   0 41.75   83.5     0.432    3.06    4       32.3       23.7
  155   3   3   1 41.82   83.64    0.433    3.06    4       96.0      208.7
  156   3   3  -3 41.857  83.714   0.433    3.05    4       88.6      177.4
  157   1   5   3 41.933  83.865   0.434    3.04    4       66.0       98.1
  158   3   0   3 42.026  84.052   0.435    3.04    2       50.2       28.3
  159   3   0  -5 42.1    84.199   0.435    3.03    2       76.8       66.1
  160   2   3   4 42.124  84.248   0.435    3.03    4      112.8      285.0
  161   2   1   5 42.134  84.268   0.435    3.03    4      106.6      254.9
  162   1   3  -6 42.175  84.351   0.436    3.02    4       73.7      121.7
  163   0   6   1 42.282  84.564   0.437    3.01    4       41.1       37.6
  164   2   2  -6 42.31   84.62    0.437    3.01    4      154.1      529.7
  165   0   3   6 42.404  84.808   0.438    3.0     4       47.7       50.6
  166   2   5  -2 42.496  84.992   0.439    2.99    4       46.9       48.8
  167   2   4   3 42.506  85.012   0.439    2.99    4       65.0       93.8
  168   1   0  -7 42.586  85.171   0.439    2.99    2      132.2      193.2
  169   3   1   3 42.734  85.468   0.44     2.97    4       98.2      212.5
  170   0   5   4 42.739  85.478   0.441    2.97    4       91.6      184.9
  171   3   1  -5 42.808  85.615   0.441    2.97    4       74.7      122.8
  172   1   2   6 42.995  85.991   0.443    2.95    4       53.8       63.4
  173   2   5   1 43.027  86.054   0.443    2.95    4       42.0       38.6
  174   1   5  -4 43.236  86.472   0.445    2.94    4        1.3        0.0
  175   1   1  -7 43.293  86.585   0.445    2.93    4      106.3      245.1
  176   1   6   0 43.682  87.364   0.448    2.9     4       89.0      170.3
  177   1   6  -1 43.868  87.735   0.45     2.89    4       38.1       31.1
  178   0   1   7 43.883  87.766   0.45     2.89    4       40.0       34.3
  179   0   6   2 43.928  87.856   0.45     2.89    4       10.5        2.4
  180   2   2   5 44.254  88.508   0.453    2.87    4       84.2      150.5
  181   2   5  -3 44.513  89.025   0.455    2.85    4       63.9       86.3
  182   3   3   2 44.555  89.11    0.455    2.85    4       57.6       70.1
  183   3   4  -1 44.591  89.183   0.456    2.85    4      162.7      558.8
  184   1   6   1 44.592  89.184   0.456    2.85    4      122.4      316.1
  185   3   3  -4 44.61   89.22    0.456    2.85    4      164.7      572.2
  186   3   2   3 44.852  89.704   0.458    2.84    4       71.7      108.1
  187   3   2  -5 44.925  89.851   0.458    2.83    4       74.2      115.5


  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   1   1   8.503  17.006  5.20949      157.2      2.1      2.1     5.6
    2   1   0  -1  11.115  22.23   3.99559      375.7      4.9      5.0     5.6
    3   0   0   2  11.274  22.548  3.94004      188.6      2.5      2.5     5.6
    4   1   1   0  12.417  24.834  3.58233       96.2      1.3      1.3     5.6
    5   0   2   0  12.82   25.639  3.4716       201.4      2.6      2.7     5.6
    6   1   1  -1  12.852  25.703  3.4631       116.9      1.5      1.5     5.6
    7   1   0   1  12.894  25.789  3.45175      129.6      1.7      1.7     5.6
    8   0   1   2  12.99   25.98   3.42675      230.9      3.0      3.1     5.6
    9   1   1   1  14.431  28.862  3.09087     3923.2     51.4     51.8     5.6
   10   1   1  -2  15.545  31.09   2.87423     4442.7     58.2     58.5     5.6
   11   1   2   0  16.76   33.521  2.67114     2842.7     37.3     37.4     5.7
   12   1   2  -1  17.094  34.187  2.62061     7278.2     95.4     95.6     5.7
   13   0   2   2  17.201  34.402  2.60475     4894.5     64.1     64.3     5.7
   14   1   1   2  18.155  36.31   2.47209     2398.3     31.4     31.4     5.7
   15   0   1   3  18.272  36.545  2.45677     2486.6     32.6     32.6     5.7
   16   1   2   1  18.342  36.684  2.44775     7631.0    100.0    100.0     5.7
   17   1   0  -3  18.528  37.055  2.42408     6614.2     86.7     86.6     5.7
   18   1   1  -3  19.668  39.336  2.28861      109.7      1.4      1.4     5.7
   19   0   3   1  20.297  40.593  2.22061     3436.2     45.0     44.9     5.7
   20   1   2   2  21.474  42.948  2.10415      521.9      6.8      6.8     5.7
   21   0   2   3  21.576  43.152  2.09468     1158.3     15.2     15.1     5.7
   22   2   0   0  21.616  43.232  2.09097     3640.6     47.7     47.4     5.7
   23   1   0   3  21.88   43.759  2.067       1764.0     23.1     23.0     5.7
   24   2   1   0  22.627  45.254  2.00215     1628.5     21.3     21.2     5.7
   25   0   3   2  22.705  45.411  1.99558      394.6      5.2      5.1     5.7
   26   1   2  -3  22.803  45.606  1.98751      580.9      7.6      7.5     5.7
   27   1   1   3  22.881  45.762  1.98107     1811.1     23.7     23.5     5.7
   28   0   0   4  23.017  46.034  1.97002      136.0      1.8      1.8     5.7
   29   1   3   1  23.623  47.245  1.92229      147.1      1.9      1.9     5.7
   30   2   1  -2  23.654  47.308  1.9199       882.5     11.6     11.4     5.7
   31   0   1   4  23.981  47.962  1.89521     1070.5     14.0     13.9     5.7
   32   1   3  -2  24.372  48.743  1.86665      183.1      2.4      2.4     5.7
   33   1   1  -4  24.642  49.285  1.84741      367.3      4.8      4.7     5.7
   34   2   2  -1  25.242  50.485  1.80626      252.4      3.3      3.3     5.8
   35   2   2   0  25.47   50.941  1.79116      104.6      1.4      1.4     5.8
   36   2   1  -3  26.285  52.571  1.7394       517.8      6.8      6.7     5.8
   37   0   4   0  26.344  52.688  1.7358      1251.1     16.4     16.1     5.8
   38   2   2  -2  26.414  52.827  1.73155     2249.9     29.5     29.0     5.8
   39   0   2   4  26.716  53.432  1.71337      823.1     10.8     10.6     5.8
   40   0   4   1  27.026  54.053  1.69516      383.5      5.0      4.9     5.8
   41   2   1   2  27.38   54.761  1.67491      102.2      1.3      1.3     5.8
   42   1   1   4  28.274  56.548  1.62612      260.3      3.4      3.3     5.8
   43   1   4   0  28.716  57.432  1.60318      209.6      2.7      2.7     5.8
   44   2   2  -3  28.864  57.728  1.59566      475.0      6.2      6.1     5.8
   45   1   4  -1  28.936  57.871  1.59206      641.8      8.4      8.2     5.8
   46   0   4   2  29.007  58.014  1.58848      589.0      7.7      7.5     5.8
   47   1   0  -5  29.416  58.831  1.56834      103.0      1.3      1.3     5.8
   48   2   3  -1  29.561  59.123  1.56131      590.7      7.7      7.5     5.8
   49   2   3   0  29.766  59.533  1.55153      384.6      5.0      4.9     5.8
   50   2   2   2  29.896  59.791  1.54543      432.6      5.7      5.5     5.8
   51   1   3   3  29.976  59.953  1.54166      149.8      2.0      1.9     5.8
   52   0   1   5  30.078  60.157  1.53692     1019.3     13.4     13.0     5.8
   53   1   4  -2  30.424  60.848  1.5211       268.2      3.5      3.4     5.8
   54   0   3   4  30.895  61.79   1.50015      212.0      2.8      2.7     5.8
   55   2   3   1  31.22   62.441  1.48608      930.4     12.2     11.8     5.8
   56   1   3  -4  31.455  62.911  1.4761      2682.6     35.2     34.0     5.9
   57   1   4   2  32.057  64.113  1.45128      719.5      9.4      9.1     5.9
   58   0   4   3  32.134  64.268  1.44816      245.1      3.2      3.1     5.9
   59   2   2  -4  32.411  64.822  1.43712      414.6      5.4      5.2     5.9
   60   0   2   5  32.463  64.926  1.43506      248.2      3.3      3.1     5.9
   61   2   3  -3  32.871  65.741  1.41923      414.2      5.4      5.2     5.9
   62   3   0  -1  32.957  65.914  1.41593       87.4      1.1      1.1     5.9
   63   1   4  -3  33.079  66.159  1.41129      433.0      5.7      5.5     5.9
   64   2   2   3  33.761  67.522  1.38607      212.9      2.8      2.7     5.9
   65   1   1   5  34.247  68.493  1.36876       83.7      1.1      1.1     5.9
   66   0   5   1  34.281  68.561  1.36757      193.0      2.5      2.4     5.9
   67   3   1  -2  34.325  68.65   1.36602      379.7      5.0      4.8     5.9
   68   1   3   4  34.624  69.249  1.35566     1409.4     18.5     17.7     5.9
   69   2   1  -5  34.678  69.357  1.35382      816.7     10.7     10.3     5.9
   70   2   4  -1  35.034  70.069  1.3418       566.6      7.4      7.1     5.9
   71   2   4   0  35.222  70.443  1.33557      327.9      4.3      4.1     5.9
   72   3   0   1  35.296  70.591  1.33314      229.9      3.0      2.9     5.9
   73   3   0  -3  35.334  70.669  1.33186      610.8      8.0      7.7     5.9
   74   1   5  -1  35.962  71.924  1.31168      844.5     11.1     10.6     5.9
   75   3   1   1  36.04   72.08   1.30922      944.7     12.4     11.8     5.9
   76   3   1  -3  36.078  72.157  1.30802      271.5      3.6      3.4     5.9
   77   0   3   5  36.25   72.5    1.30267       78.9      1.0      1.0     5.9
   78   2   1   4  36.357  72.714  1.29936      659.9      8.6      8.2     6.0
   79   1   1  -6  36.41   72.821  1.29772      528.8      6.9      6.6     6.0
   80   3   2   0  36.545  73.091  1.29359      241.5      3.2      3.0     6.0
   81   0   1   6  36.648  73.297  1.29046      446.4      5.8      5.6     6.0
   82   1   5   1  36.72   73.44   1.2883       184.8      2.4      2.3     6.0
   83   1   5  -2  37.299  74.598  1.27114      661.3      8.7      8.2     6.0
   84   2   4  -3  38.1    76.199  1.24837      134.5      1.8      1.7     6.0
   85   3   2   1  38.238  76.476  1.24453      231.5      3.0      2.9     6.0
   86   1   2  -6  38.601  77.202  1.23464      125.8      1.6      1.6     6.0
   87   1   5   2  38.791  77.581  1.22954      412.1      5.4      5.1     6.0
   88   0   5   3  38.862  77.724  1.22764      555.4      7.3      6.9     6.0
   89   3   1  -4  38.923  77.846  1.22602      120.9      1.6      1.5     6.0
   90   2   4   2  39.004  78.009  1.22387      605.1      7.9      7.5     6.0
   91   2   0  -6  39.459  78.918  1.21204      219.5      2.9      2.7     6.0
   92   3   3   0  40.171  80.341  1.19411      147.1      1.9      1.8     6.0
   93   1   1   6  40.867  81.734  1.17724      387.0      5.1      4.7     6.1
   94   3   2   2  41.016  82.032  1.17372      121.7      1.6      1.5     6.1
   95   3   2  -4  41.072  82.143  1.17242       78.5      1.0      1.0     6.1
   96   0   4   5  41.311  82.623  1.16682      218.6      2.9      2.7     6.1
   97   0   6   0  41.732  83.463  1.1572       201.2      2.6      2.5     6.1
   98   3   3   1  41.82   83.64   1.1552       208.7      2.7      2.5     6.1
   99   3   3  -3  41.857  83.714  1.15437      177.4      2.3      2.2     6.1
  100   1   5   3  41.933  83.865  1.15267       98.1      1.3      1.2     6.1
  101   2   3   4  42.124  84.248  1.1484       606.0      7.9      7.4     6.1
  102   1   3  -6  42.175  84.351  1.14727      121.7      1.6      1.5     6.1
  103   2   2  -6  42.31   84.62   1.1443       567.3      7.4      6.9     6.1
  104   2   4   3  42.506  85.012  1.14003      142.6      1.9      1.7     6.1
  105   1   0  -7  42.586  85.171  1.13831      193.2      2.5      2.3     6.1
  106   3   1   3  42.734  85.468  1.1351       397.4      5.2      4.8     6.1
  107   3   1  -5  42.808  85.615  1.13353      122.8      1.6      1.5     6.1
  108   1   1  -7  43.293  86.585  1.12331      245.1      3.2      3.0     6.1
  109   1   6   0  43.682  87.364  1.11529      170.3      2.2      2.1     6.2
  110   2   2   5  44.254  88.508  1.1038       150.5      2.0      1.8     6.2
  111   2   5  -3  44.513  89.025  1.09872       86.3      1.1      1.0     6.2
  112   3   3  -4  44.61   89.22   1.09683     1447.1     19.0     17.4     6.2
  113   3   2   3  44.852  89.704  1.09216      108.1      1.4      1.3     6.2
  114   3   2  -5  44.925  89.851  1.09076      115.5      1.5      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)