Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

                            ***

          ***      W W W - X R A Y P O L       ***
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STIBNITE

5, t-stibnite, at 293'C, f-orpiment, g-stibnite

Sb(2)S(3)


Orthorhombic  P nma  Z = 4

R =0.041          NR =1083

22 .7 .1902

Ref.Str.:

         A. Kyono, M. Kimata, M.Metsuhisa, Y. Miyashita, K. Okamoto (2002))

         * Phys. Chem. Minerals, 29, 254-260

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  11.314    alpha =   90.0 
             b =   3.837    beta  =   90.0 
             c =  11.234    gamma =   90.0 

    Unit cell volume (cub. angs.) =   487.69

    Molar volume ( cub.cm/mol.) =    73.44

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

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

   1 0.4706  0.25    0.326    1.26   Sb    = 1.00
   2 0.3506  0.75    0.036    1.57   Sb    = 1.00
   3 0.2922  0.25    0.1919   1.21   S     = 1.00
   4 0.5498  0.75    0.123    1.22   S     = 1.00
   5 0.3751  0.75    0.4388   1.24   S     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.4706     0.25       0.326 
     2       2     0.3506     0.75       0.036 
     3       3     0.2922     0.25       0.1919
     4       4     0.5498     0.75       0.123 
     5       5     0.3751     0.75       0.4388
     6       1     0.0294     0.75       0.826 
     7       2     0.1494     0.25       0.536 
     8       3     0.2078     0.75       0.6919
     9       4     0.9502     0.25       0.623 
    10       5     0.1249     0.25       0.9388
    11       1     0.9706     0.25       0.174 
    12       2     0.8506     0.75       0.464 
    13       3     0.7922     0.25       0.3081
    14       4     0.0498     0.75       0.377 
    15       5     0.8751     0.75       0.0612
    16       1     0.5294     0.75       0.674 
    17       2     0.6494     0.25       0.964 
    18       3     0.7078     0.75       0.8081
    19       4     0.4502     0.25       0.877 
    20       5     0.6249     0.25       0.5612


X-ray density (g/cm cub.)   =      4.62

MU (1/cm) =    1474.382    Mass attenuation coefficient (cm**2/g) =    318.797

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

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

    1    Sb                  3.264        6
                                                 2.5183       3
                                                 3.1119       4
                                                 3.1119       4
                                                 2.5405       5
                                                 2.5405       5
                                                 3.1672       5
    2    Sb                  3.264        5
                                                 2.6805       3
                                                 2.6805       3
                                                 2.4568       4
                                                 2.8532       4
                                                 2.8532       4
    3    S                   4.368       10
                                                 3.837        3
                                                 3.837        3
                                                 3.5741       4
                                                 3.5741       4
                                                 3.5005       5
                                                 3.5005       5
                                                 3.4157       5
                                                 3.9403       4
                                                 3.9403       4
                                                 3.9636       4
    4    S                   4.368       11
                                                 3.5741       3
                                                 3.5741       3
                                                 3.837        4
                                                 3.837        4
                                                 4.0611       5
                                                 3.9403       3
                                                 3.9403       3
                                                 3.7454       5
                                                 3.9636       3
                                                 3.5479       4
                                                 3.5479       4
    5    S                   4.368        9
                                                 3.5005       3
                                                 3.5005       3
                                                 4.0611       4
                                                 3.837        5
                                                 3.837        5
                                                 3.4157       3
                                                 3.7454       4
                                                 3.6823       5
                                                 3.6823       5

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

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

    1   1   0   1  6.442  12.885   0.063  155.9     4       31.4      259.0
    2   2   0   0  9.098  18.195   0.088   77.07    2      116.9      886.1
    3   0   0   2  9.163  18.326   0.089   75.94    2       60.5      234.1
    4   2   0   1 10.197  20.394   0.099   60.9     4      124.5     1586.4
    5   1   0   2 10.241  20.482   0.099   60.36    4       28.9       84.9
    6   2   0   2 12.968  25.936   0.125   36.86    4      110.0      749.5
    7   0   1   1 14.261  28.522   0.138   30.13    4      109.5      607.5
    8   3   0   1 14.488  28.976   0.14    29.13    4      186.9     1710.8
    9   1   0   3 14.573  29.145   0.141   28.77    4      190.6     1757.7
   10   1   1   1 14.994  29.987   0.145   27.07    8       89.1      722.7
   11   2   1   0 16.36   32.721   0.157   22.43    4       94.4      335.9
   12   3   0   2 16.599  33.198   0.16    21.74    4      133.1      647.7
   13   2   0   3 16.646  33.292   0.16    21.61    4      103.4      388.3
   14   2   1   1 17.021  34.041   0.164   20.59    8       84.9      499.7
   15   1   1   2 17.048  34.096   0.164   20.51    8      190.0     2492.2
   16   4   0   0 18.435  36.87    0.177   17.29    2       20.5        6.1
   17   0   0   4 18.571  37.142   0.178   17.01    2        6.9        0.7
   18   2   1   2 18.879  37.759   0.181   16.4     8      219.3     2653.8
   19   4   0   1 19.032  38.065   0.182   16.11    4       10.1        2.7
   20   1   0   4 19.156  38.313   0.183   15.88    4       54.2       78.5
   21   0   1   3 19.497  38.995   0.187   15.28    4      214.0     1176.1
   22   3   0   3 19.67   39.341   0.188   14.98    4       40.6       41.6
   23   3   1   1 19.996  39.992   0.191   14.44    8       44.4       95.8
   24   1   1   3 20.06   40.119   0.192   14.34    8      103.4      515.7
   25   4   0   2 20.736  41.472   0.198   13.32    4      226.1     1145.4
   26   2   0   4 20.829  41.657   0.199   13.19    4      115.6      296.5
   27   3   1   2 21.636  43.273   0.206   12.11    8      108.7      481.0
   28   2   1   3 21.674  43.348   0.206   12.06    8        0.6        0.0
   29   4   1   0 23.133  46.266   0.22    10.41    4      189.0      625.2
   30   4   0   3 23.347  46.695   0.222   10.2     4       78.7      106.3
   31   3   0   4 23.397  46.793   0.222   10.15    4      108.9      202.3
   32   4   1   1 23.632  47.263   0.224    9.92    8      148.4      735.3
   33   1   1   4 23.736  47.472   0.225    9.82    8       85.4      240.7
   34   5   0   1 23.78   47.56    0.225    9.78    4        3.9        0.3
   35   1   0   5 23.946  47.892   0.227    9.63    4       71.3       82.3
   36   3   1   3 24.17   48.341   0.229    9.43    8       54.8       95.1
   37   4   1   2 25.082  50.164   0.237    8.67    8       43.0       53.8
   38   2   1   4 25.162  50.324   0.238    8.6     8      122.4      433.5
   39   5   0   2 25.224  50.448   0.238    8.55    4      169.2      411.8
   40   2   0   5 25.363  50.726   0.239    8.45    4      129.4      237.9
   41   4   0   4 26.668  53.335   0.251    7.54    4      114.9      167.4
   42   4   1   3 27.373  54.746   0.257    7.1     8       72.2      124.4
   43   3   1   4 27.417  54.834   0.257    7.08    8      211.6     1065.4
   44   0   1   5 27.473  54.946   0.258    7.04    4      242.8      698.1
   45   5   0   3 27.507  55.014   0.258    7.02    4       59.8       42.3
   46   3   0   5 27.607  55.213   0.259    6.97    4      184.7      399.6
   47   5   1   1 27.76   55.519   0.26     6.88    8       86.3      172.5
   48   0   2   0 27.79   55.58    0.261    6.86    2      380.0      833.1
   49   1   1   5 27.908  55.817   0.262    6.8     8       47.2       50.9
   50   6   0   0 28.317  56.634   0.265    6.58    2      157.0      136.3
   51   0   0   6 28.537  57.074   0.267    6.46    2      153.2      127.6
   52   1   2   1 28.655  57.311   0.268    6.4     8       19.3        8.0
   53   6   0   1 28.75   57.499   0.269    6.35    4       86.0       79.1
   54   1   0   6 28.962  57.923   0.271    6.25    4      117.1      144.0
   55   5   1   2 29.062  58.123   0.272    6.2     8       60.0       75.1
   56   2   1   5 29.188  58.376   0.273    6.14    8       29.3       17.7
   57   2   2   0 29.493  58.985   0.275    6.0     4       83.4       70.1
   58   0   2   2 29.516  59.033   0.275    5.99    4       40.1       16.2
   59   2   2   1 29.915  59.829   0.279    5.81    8       85.2      141.8
   60   1   2   2 29.932  59.865   0.279    5.8     8       20.5        8.2
   61   6   0   2 30.024  60.048   0.28     5.76    4       57.6       32.1
   62   2   0   6 30.213  60.425   0.281    5.68    4       90.9       79.0
   63   4   1   4 30.381  60.761   0.283    5.61    8       19.1        6.9
   64   5   0   4 30.506  61.012   0.284    5.56    4       12.1        1.4
   65   4   0   5 30.559  61.117   0.284    5.54    4      102.3       97.5
   66   5   1   3 31.155  62.309   0.289    5.31    8      161.6      466.1
   67   2   2   2 31.16   62.319   0.289    5.31    8       82.1      120.2
   68   3   1   5 31.247  62.494   0.29     5.27    8      114.5      232.8
   69   6   1   0 31.906  63.813   0.295    5.04    4      286.6      695.8
   70   3   2   1 31.946  63.891   0.296    5.02    8      137.9      321.6
   71   1   2   3 31.991  63.982   0.296    5.01    8      143.4      346.3
   72   6   0   3 32.079  64.159   0.297    4.98    4      130.4      142.5
   73   3   0   6 32.233  64.465   0.298    4.93    4       10.8        1.0
   74   6   1   1 32.31   64.62    0.299    4.9     8       35.7       21.0
   75   1   1   6 32.508  65.015   0.3      4.84    8       50.5       41.5
   76   3   2   2 33.147  66.294   0.306    4.64    8       93.2      135.6
   77   2   2   3 33.175  66.35    0.306    4.63    8       74.4       86.3
   78   6   1   2 33.504  67.009   0.309    4.54    8        1.3        0.0
   79   2   1   6 33.682  67.364   0.31     4.49    8       47.8       34.4
   80   5   1   4 33.959  67.917   0.312    4.41    8       19.1        5.4
   81   7   0   1 33.994  67.988   0.313    4.4     4       51.9       19.9
   82   4   1   5 34.008  68.017   0.313    4.4     8       54.2       43.4
   83   5   0   5 34.126  68.252   0.314    4.37    4       30.0        6.6
   84   1   0   7 34.258  68.517   0.315    4.33    4        9.7        0.7
   85   4   2   0 34.288  68.577   0.315    4.32    4       12.7        1.2
   86   0   2   4 34.376  68.752   0.316    4.3     4        6.0        0.3
   87   4   2   1 34.677  69.355   0.318    4.22    8       11.7        2.0
   88   1   2   4 34.759  69.519   0.319    4.2     8       43.7       27.0
   89   6   0   4 34.844  69.688   0.319    4.18    4       49.3       17.1
   90   4   0   6 34.953  69.906   0.32     4.16    4       94.4       62.3
   91   3   2   3 35.103  70.205   0.321    4.12    8       31.4       13.6
   92   7   0   2 35.16   70.32    0.322    4.11    4       84.3       49.1
   93   2   0   7 35.404  70.808   0.324    4.05    4      193.3      254.5
   94   6   1   3 35.451  70.901   0.324    4.04    8       58.8       47.0
   95   3   1   6 35.597  71.194   0.325    4.01    8       63.7       54.7
   96   4   2   2 35.833  71.667   0.327    3.96    8      168.3      376.7
   97   2   2   4 35.898  71.796   0.328    3.94    8       85.8       97.7
   98   7   0   3 37.067  74.135   0.337    3.71    4      144.2      129.7
   99   0   1   7 37.166  74.333   0.338    3.69    4       36.3        8.2
  100   3   0   7 37.28   74.56    0.339    3.67    4       14.2        1.2
  101   7   1   1 37.283  74.566   0.339    3.67    8       81.7       82.3
  102   5   1   5 37.411  74.821   0.34     3.64    8       23.7        6.9
  103   1   1   7 37.538  75.075   0.341    3.62    8       31.8       12.3
  104   4   2   3 37.727  75.455   0.342    3.59    8       59.5       42.8
  105   3   2   4 37.764  75.529   0.342    3.58    8       83.6       84.2
  106   5   2   1 38.055  76.109   0.345    3.53    8        4.3        0.2
  107   6   1   4 38.103  76.205   0.345    3.53    8       16.4        3.2
  108   1   2   5 38.181  76.362   0.346    3.51    8       55.5       36.5
  109   4   1   6 38.208  76.416   0.346    3.51    8       70.8       59.1
  110   6   0   5 38.263  76.525   0.346    3.5     4      150.9      134.2
  111   5   0   6 38.321  76.641   0.347    3.49    4       82.4       39.9
  112   7   1   2 38.408  76.816   0.347    3.48    8       58.9       40.6
  113   2   1   7 38.644  77.288   0.349    3.44    8      133.8      207.2
  114   5   2   2 39.172  78.344   0.353    3.36    8      130.4      192.5
  115   8   0   0 39.232  78.464   0.354    3.36    2       37.2        3.9
  116   2   2   5 39.282  78.563   0.354    3.35    8       97.7      107.6
  117   0   0   8 39.566  79.132   0.356    3.31    2      140.0       54.6
  118   8   0   1 39.602  79.205   0.356    3.31    4       86.7       41.8
  119   7   0   4 39.68   79.361   0.357    3.3     4      136.0      102.5
  120   4   0   7 39.852  79.704   0.358    3.27    4       11.9        0.8
  121   1   0   8 39.93   79.86    0.359    3.26    4       64.3       22.7
  122   7   1   3 40.26   80.521   0.361    3.22    8       50.9       28.0
  123   4   2   4 40.327  80.654   0.362    3.21    8       88.7       85.1
  124   3   1   7 40.468  80.936   0.363    3.2     8        3.5        0.1
  125   8   0   2 40.708  81.416   0.365    3.17    4       56.3       16.9
  126   5   2   3 41.015  82.031   0.367    3.14    8       47.3       23.6
  127   2   0   8 41.018  82.036   0.367    3.14    4       25.8        3.5
  128   3   2   5 41.098  82.196   0.367    3.13    8      143.6      217.0
  129   6   1   5 41.429  82.858   0.37     3.09    8      115.2      138.0
  130   5   1   6 41.486  82.971   0.37     3.09    8        8.4        0.7
  131   6   2   0 41.691  83.382   0.372    3.07    4      122.1       76.9
  132   0   2   6 41.876  83.753   0.373    3.05    4      120.5       74.4
  133   6   2   1 42.056  84.113   0.374    3.03    8       68.3       47.5
  134   1   2   6 42.236  84.473   0.376    3.02    8       90.6       83.3
  135   6   0   6 42.316  84.632   0.376    3.01    4       63.8       20.6
  136   8   1   0 42.381  84.762   0.377    3.0     4        3.2        0.1
  137   8   0   3 42.537  85.074   0.378    2.99    4       44.0        9.7
  138   8   1   1 42.745  85.491   0.379    2.97    8        7.2        0.5
  139   3   0   8 42.819  85.639   0.38     2.97    4        1.6        0.0
  140   7   1   4 42.822  85.645   0.38     2.97    8        3.3        0.1
  141   7   0   5 42.978  85.957   0.381    2.96    4       14.6        1.1
  142   4   1   7 42.992  85.984   0.381    2.95    8      187.5      349.4
  143   1   1   8 43.069  86.137   0.382    2.95    8      120.1      143.1
  144   5   0   7 43.101  86.203   0.382    2.95    4       44.0        9.6
  145   6   2   2 43.15   86.3     0.382    2.94    8       44.1       19.3
  146   2   2   6 43.314  86.628   0.383    2.93    8       72.3       51.5
  147   5   2   4 43.57   87.14    0.385    2.91    8       11.2        1.2
  148   4   2   5 43.616  87.232   0.386    2.91    8       80.2       62.9
  149   8   1   2 43.837  87.674   0.387    2.89    8      126.1      154.8
  150   2   1   8 44.144  88.289   0.389    2.88    8       21.7        4.6
  151   0   3   1 44.738  89.475   0.393    2.84    4       65.3       20.4
  152   6   2   3 44.967  89.935   0.395    2.83    8      103.5      101.9


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (angs.):

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

    1   1   0   1   6.442  12.885  7.97177      259.0      8.7      8.8     5.6
    2   2   0   0   9.098  18.195  5.657        886.1     29.6     30.0     5.6
    3   0   0   2   9.163  18.326  5.617        234.1      7.8      7.9     5.6
    4   2   0   1  10.197  20.394  5.05256     1586.4     53.0     53.6     5.6
    5   1   0   2  10.241  20.482  5.03109       84.9      2.8      2.9     5.6
    6   2   0   2  12.968  25.936  3.98589      749.5     25.0     25.2     5.6
    7   0   1   1  14.261  28.522  3.63105      607.5     20.3     20.4     5.6
    8   3   0   1  14.488  28.976  3.57525     1710.8     57.2     57.4     5.6
    9   1   0   3  14.573  29.145  3.55501     1757.7     58.8     59.0     5.6
   10   1   1   1  14.994  29.987  3.45736      722.7     24.2     24.2     5.6
   11   2   1   0  16.36   32.721  3.17546      335.9     11.2     11.2     5.6
   12   3   0   2  16.599  33.198  3.13106      647.7     21.6     21.7     5.6
   13   2   0   3  16.646  33.292  3.12253      388.3     13.0     13.0     5.6
   14   1   1   2  17.048  34.096  3.05096     2991.9    100.0    100.0     5.7
   15   2   1   2  18.879  37.759  2.76431     2653.8     88.7     88.4     5.7
   16   1   0   4  19.156  38.313  2.72578       78.5      2.6      2.6     5.7
   17   0   1   3  19.497  38.995  2.67993     1176.1     39.3     39.1     5.7
   18   3   0   3  19.67   39.341  2.65726       41.6      1.4      1.4     5.7
   19   3   1   1  19.996  39.992  2.61573       95.8      3.2      3.2     5.7
   20   1   1   3  20.06   40.119  2.60777      515.7     17.2     17.1     5.7
   21   4   0   2  20.736  41.472  2.52628     1145.4     38.3     38.0     5.7
   22   2   0   4  20.829  41.657  2.51555      296.5      9.9      9.8     5.7
   23   3   1   2  21.636  43.273  2.42588      481.0     16.1     15.9     5.7
   24   4   1   0  23.133  46.266  2.27675      625.2     20.9     20.6     5.7
   25   4   0   3  23.347  46.695  2.257        106.3      3.6      3.5     5.7
   26   3   0   4  23.397  46.793  2.25252      202.3      6.8      6.7     5.7
   27   4   1   1  23.632  47.263  2.23139      735.3     24.6     24.3     5.7
   28   1   1   4  23.736  47.472  2.22214      240.7      8.0      7.9     5.7
   29   1   0   5  23.946  47.892  2.20377       82.3      2.8      2.7     5.7
   30   3   1   3  24.17   48.341  2.18454       95.1      3.2      3.1     5.7
   31   4   1   2  25.082  50.164  2.11001       53.8      1.8      1.8     5.7
   32   2   1   4  25.162  50.324  2.10374      433.5     14.5     14.2     5.8
   33   5   0   2  25.224  50.448  2.09889      411.8     13.8     13.5     5.8
   34   2   0   5  25.363  50.726  2.08813      237.9      8.0      7.8     5.8
   35   4   0   4  26.668  53.335  1.99294      167.4      5.6      5.5     5.8
   36   4   1   3  27.373  54.746  1.9454       124.4      4.2      4.1     5.8
   37   3   1   4  27.417  54.834  1.94253     1065.4     35.6     34.8     5.8
   38   0   1   5  27.473  54.946  1.93886      698.1     23.3     22.8     5.8
   39   5   0   3  27.507  55.014  1.93667       42.3      1.4      1.4     5.8
   40   3   0   5  27.607  55.213  1.93022      399.6     13.4     13.1     5.8
   41   5   1   1  27.76   55.519  1.92042      172.5      5.8      5.6     5.8
   42   0   2   0  27.79   55.58   1.9185       833.1     27.8     27.2     5.8
   43   1   1   5  27.908  55.817  1.911         50.9      1.7      1.7     5.8
   44   6   0   0  28.317  56.634  1.88567      136.3      4.6      4.4     5.8
   45   0   0   6  28.537  57.074  1.87233      127.6      4.3      4.2     5.8
   46   6   0   1  28.75   57.499  1.85965       79.1      2.6      2.6     5.8
   47   1   0   6  28.962  57.923  1.84721      144.0      4.8      4.7     5.8
   48   5   1   2  29.062  58.123  1.8414        75.1      2.5      2.4     5.8
   49   2   2   0  29.493  58.985  1.81686       86.3      2.9      2.8     5.8
   50   2   2   1  29.915  59.829  1.79356      150.0      5.0      4.9     5.8
   51   6   0   2  30.024  60.048  1.78762       32.1      1.1      1.0     5.8
   52   2   0   6  30.213  60.425  1.7775        79.0      2.6      2.6     5.8
   53   4   0   5  30.559  61.117  1.7593        97.5      3.3      3.2     5.8
   54   5   1   3  31.155  62.309  1.72893      586.4     19.6     19.0     5.8
   55   3   1   5  31.247  62.494  1.72433      232.8      7.8      7.5     5.8
   56   6   1   0  31.906  63.813  1.69234      695.8     23.3     22.4     5.9
   57   3   2   1  31.946  63.891  1.69049      321.6     10.7     10.4     5.9
   58   1   2   3  31.991  63.982  1.68834      346.3     11.6     11.2     5.9
   59   6   0   3  32.079  64.159  1.68419      142.5      4.8      4.6     5.9
   60   1   1   6  32.508  65.015  1.66438       41.5      1.4      1.3     5.9
   61   3   2   2  33.147  66.294  1.63584      221.9      7.4      7.1     5.9
   62   2   1   6  33.682  67.364  1.61285       34.4      1.2      1.1     5.9
   63   4   1   5  34.008  68.017  1.59921       63.3      2.1      2.0     5.9
   64   4   0   6  34.953  69.906  1.56126       62.3      2.1      2.0     5.9
   65   7   0   2  35.16   70.32   1.55326       49.1      1.6      1.6     5.9
   66   2   0   7  35.404  70.808  1.54393      254.5      8.5      8.1     5.9
   67   6   1   3  35.451  70.901  1.54217       47.0      1.6      1.5     5.9
   68   3   1   6  35.597  71.194  1.53667       54.7      1.8      1.7     5.9
   69   4   2   2  35.833  71.667  1.52787      376.7     12.6     12.0     5.9
   70   2   2   4  35.898  71.796  1.52548       97.7      3.3      3.1     5.9
   71   7   0   3  37.067  74.135  1.48396      129.7      4.3      4.1     6.0
   72   7   1   1  37.283  74.566  1.4766        83.5      2.8      2.6     6.0
   73   4   2   3  37.727  75.455  1.46176       42.8      1.4      1.4     6.0
   74   3   2   4  37.764  75.529  1.46055       84.2      2.8      2.7     6.0
   75   4   1   6  38.208  76.416  1.44613       95.6      3.2      3.0     6.0
   76   6   0   5  38.263  76.525  1.44438      134.2      4.5      4.2     6.0
   77   5   0   6  38.321  76.641  1.44254       39.9      1.3      1.3     6.0
   78   7   1   2  38.408  76.816  1.43976       40.6      1.4      1.3     6.0
   79   2   1   7  38.644  77.288  1.43232      207.2      6.9      6.5     6.0
   80   5   2   2  39.172  78.344  1.41607      192.5      6.4      6.0     6.0
   81   2   2   5  39.282  78.563  1.41275      107.6      3.6      3.4     6.0
   82   0   0   8  39.566  79.132  1.40425       54.6      1.8      1.7     6.0
   83   8   0   1  39.602  79.205  1.40317       41.8      1.4      1.3     6.0
   84   7   0   4  39.68   79.361  1.40087      102.5      3.4      3.2     6.0
   85   4   2   4  40.327  80.654  1.38215       85.1      2.8      2.7     6.1
   86   3   2   5  41.098  82.196  1.36071      217.0      7.3      6.8     6.1
   87   6   1   5  41.429  82.858  1.35178      138.0      4.6      4.3     6.1
   88   6   2   0  41.691  83.382  1.34483       76.9      2.6      2.4     6.1
   89   0   2   6  41.876  83.753  1.33996       74.4      2.5      2.3     6.1
   90   6   2   1  42.056  84.113  1.33529       47.5      1.6      1.5     6.1
   91   1   2   6  42.236  84.473  1.33066       83.3      2.8      2.6     6.1
   92   4   1   7  42.992  85.984  1.31173      350.4     11.7     10.8     6.1
   93   1   1   8  43.069  86.137  1.30984      143.1      4.8      4.4     6.1
   94   2   2   6  43.314  86.628  1.30388       51.5      1.7      1.6     6.1
   95   4   2   5  43.616  87.232  1.29665       62.9      2.1      1.9     6.2
   96   8   1   2  43.837  87.674  1.29143      154.8      5.2      4.8     6.2
   97   6   2   3  44.967  89.935  1.26568      101.9      3.4      3.1     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)