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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LAURIONITE

3, I-analogue

Pb(OH)I


Orthorhombic  P nma  Z = 4

Pnma

8 .7 .16

Ref.Str.:

         Siidra O.I., Zenko D.Y., Suknotova A.N., Krivovichev S.V. (2013)

         * Mineral. Mag., 77, 3239-3248

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   7.8244   alpha =   90.0 
             b =   4.2107   beta  =   90.0 
             c =  10.4724   gamma =   90.0 

    Unit cell volume (cub. angs.) =   345.03

    Molar volume ( cub.cm/mol.) =    51.96

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

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

   1 0.8194  0.25    0.5814   0.0    Pb    = 1.00
   2 0.881   0.75    0.473    0.0    O     = 1.00
   3 0.76    0.75    0.41     0.0    H     = 1.00
   4 0.5471  0.25    0.3206   0.0    I     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.8194     0.25       0.5814
     2       2     0.881      0.75       0.473 
     3       3     0.76       0.75       0.41  
     4       4     0.5471     0.25       0.3206
     5       1     0.6806     0.75       0.0814
     6       2     0.619      0.25       0.973 
     7       3     0.74       0.25       0.91  
     8       4     0.9529     0.75       0.8206
     9       1     0.3194     0.25       0.9186
    10       2     0.381      0.75       0.027 
    11       3     0.26       0.75       0.09  
    12       4     0.0471     0.25       0.1794
    13       1     0.1806     0.75       0.4186
    14       2     0.119      0.25       0.527 
    15       3     0.24       0.25       0.59  
    16       4     0.4529     0.75       0.6794


X-ray density (g/cm cub.)   =      6.76

MU (1/cm) =    1646.685    Mass attenuation coefficient (cm**2/g) =    243.697

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

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

    1    Pb                  4.152        8
                                                 2.4401       2
                                                 2.4401       2
                                                 3.4641       4
                                                 3.4348       4
                                                 3.4348       4
                                                 2.4125       2
                                                 3.7025       4
                                                 3.7025       4
    2    O                   4.272       10
                                                 4.2107       2
                                                 4.2107       2
                                                 3.7155       4
                                                 3.7155       4
                                                 3.6834       4
                                                 3.9466       4
                                                 3.9466       4
                                                 2.8671       2
                                                 2.8671       2
                                                 3.9865       4
    3    H                   2.64         1
                                                 1.154        2
    4    I                   5.28        13
                                                 3.7155       2
                                                 3.7155       2
                                                 4.2107       4
                                                 4.2107       4
                                                 3.6834       2
                                                 3.9466       2
                                                 3.9466       2
                                                 4.1823       4
                                                 4.1823       4
                                                 4.9695       2
                                                 3.9865       2
                                                 4.3697       4
                                                 4.3697       4

  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   0   1  7.059  14.118   0.08   129.48    4       49.6     1070.0
    2   0   0   2  8.459  16.919   0.095   89.48    2       58.1      508.2
    3   1   0   2 10.196  20.391   0.115   60.92    4      169.7     5893.4
    4   2   0   0 11.355  22.711   0.128   48.7     2       27.8       63.2
    5   0   1   1 11.371  22.743   0.128   48.56    4       24.1       94.6
    6   2   0   1 12.133  24.266   0.136   42.4     4      193.2     5319.5
    7   1   1   1 12.731  25.462   0.143   38.32    8      222.2    12714.0
    8   1   0   3 13.982  27.965   0.157   31.42    4      186.8     3682.7
    9   2   0   2 14.228  28.456   0.16    30.28    4      183.9     3442.2
   10   1   1   2 14.747  29.494   0.165   28.05    8      234.7    10386.6
   11   2   1   0 15.59   31.181   0.174   24.89    4       82.9      574.8
   12   2   1   1 16.179  32.358   0.181   22.98    8      213.7     7054.8
   13   0   1   3 16.656  33.312   0.186   21.58    4      317.9     7327.6
   14   0   0   4 17.11   34.221   0.191   20.35    2      137.6      647.1
   15   2   0   3 17.201  34.403   0.192   20.12    4      166.1     1864.5
   16   1   1   3 17.642  35.283   0.197   19.04    8       52.5      352.2
   17   3   0   1 17.72   35.439   0.198   18.86    4      278.6     4917.5
   18   2   1   2 17.841  35.683   0.199   18.57    8      140.9     2478.9
   19   1   0   4 18.074  36.148   0.201   18.05    4      244.6     3630.0
   20   3   0   2 19.266  38.531   0.214   15.69    4      158.7     1326.9
   21   2   1   3 20.349  40.698   0.226   13.89    8      130.5     1590.7
   22   2   0   4 20.733  41.466   0.23    13.32    4       49.0      107.6
   23   3   1   1 20.8    41.6     0.231   13.23    8       17.5       27.2
   24   1   1   4 21.11   42.221   0.234   12.8     8       46.4      184.9
   25   0   2   0 21.461  42.922   0.237   12.33    2      427.3     3782.0
   26   3   0   3 21.633  43.267   0.239   12.11    4       77.3      243.0
   27   3   1   2 22.164  44.329   0.245   11.47    8      129.5     1292.6
   28   1   0   5 22.378  44.756   0.247   11.22    4      195.6     1443.2
   29   1   2   1 22.703  45.406   0.251   10.86    8       39.8      115.8
   30   4   0   0 23.19   46.38    0.256   10.35    2        0.7        0.0
   31   0   2   2 23.224  46.449   0.256   10.32    4       47.0       76.6
   32   2   1   4 23.484  46.967   0.259   10.06    8       81.5      449.1
   33   4   0   1 23.615  47.231   0.26     9.94    4       12.1        4.9
   34   1   2   2 23.981  47.962   0.264    9.6     8      144.7     1350.2
   35   0   1   5 24.252  48.504   0.267    9.35    4      236.9     1764.4
   36   3   1   3 24.303  48.605   0.267    9.31    8      129.2     1044.5
   37   2   2   0 24.55   49.099   0.27     9.1     4       27.3       22.8
   38   3   0   4 24.638  49.275   0.271    9.03    4       52.2       82.6
   39   2   0   5 24.655  49.31    0.271    9.01    4       35.5       38.1
   40   4   0   2 24.858  49.715   0.273    8.84    4       73.3      159.5
   41   2   2   1 24.957  49.915   0.274    8.76    8      160.9     1524.7
   42   1   1   5 24.985  49.97    0.274    8.74    8      150.0     1321.2
   43   4   1   0 25.734  51.469   0.282    8.17    4      369.6     3752.1
   44   1   2   3 26.005  52.011   0.285    7.98    8      152.1     1240.3
   45   4   1   1 26.129  52.257   0.286    7.9     8       72.1      275.7
   46   2   2   2 26.152  52.304   0.286    7.88    8      154.5     1263.3
   47   0   0   6 26.188  52.376   0.286    7.85    2       92.9      113.8
   48   4   0   3 26.833  53.666   0.293    7.43    4      259.5     1681.9
   49   1   0   6 26.883  53.766   0.294    7.4     4       14.1        4.9
   50   3   1   4 27.081  54.162   0.296    7.28    8      293.7     4217.8
   51   2   1   5 27.097  54.195   0.296    7.27    8        7.9        3.0
   52   4   1   2 27.287  54.573   0.298    7.15    8       34.6       57.5
   53   0   2   4 28.001  56.002   0.305    6.74    4      120.9      331.5
   54   2   2   3 28.063  56.126   0.305    6.71    8      146.1      963.2
   55   3   0   5 28.143  56.286   0.306    6.67    4      103.6      240.3
   56   3   2   1 28.419  56.838   0.309    6.52    8      238.6     2495.6
   57   1   2   4 28.666  57.332   0.311    6.4     8      214.0     1968.4
   58   2   0   6 28.898  57.796   0.314    6.28    4      250.1     1319.8
   59   4   1   3 29.147  58.294   0.316    6.16    8       32.2       43.0
   60   1   1   6 29.194  58.388   0.317    6.14    8       79.1      257.9
   61   4   0   4 29.443  58.886   0.319    6.02    4        5.9        0.7
   62   3   2   2 29.516  59.032   0.32     5.99    8      137.0      755.0
   63   5   0   1 29.848  59.695   0.323    5.84    4      140.5      387.5
   64   3   1   5 30.392  60.783   0.328    5.61    8      124.9      587.9
   65   2   2   4 30.604  61.208   0.33     5.52    8       42.8       68.1
   66   5   0   2 30.913  61.827   0.333    5.4     4      211.6      812.7
   67   2   1   6 31.112  62.224   0.335    5.32    8      242.2     2099.5
   68   3   2   3 31.292  62.584   0.337    5.26    8       68.8      167.1
   69   1   0   7 31.614  63.229   0.34     5.14    4       74.0       94.6
   70   4   1   4 31.634  63.268   0.34     5.13    8      121.4      508.1
   71   1   2   5 31.872  63.743   0.343    5.05    8      173.3     1019.0
   72   5   1   1 32.022  64.045   0.344    5.0     8       42.1       59.5
   73   3   0   6 32.075  64.149   0.345    4.98    4       62.6       65.7
   74   4   2   0 32.515  65.03    0.349    4.84    4        1.1        0.0
   75   4   0   5 32.603  65.206   0.35     4.81    4      193.1      602.5
   76   5   0   3 32.645  65.289   0.35     4.79    4        8.0        1.0
   77   4   2   1 32.856  65.712   0.352    4.73    8        9.7        3.0
   78   5   1   2 33.048  66.096   0.354    4.67    8      154.8      751.8
   79   0   1   7 33.121  66.242   0.355    4.65    4      212.4      704.7
   80   2   0   7 33.452  66.904   0.358    4.55    4        7.0        0.8
   81   0   3   1 33.622  67.244   0.359    4.5     4       14.4        3.1
   82   3   2   4 33.687  67.374   0.36     4.48    8       46.6       65.4
   83   2   2   5 33.702  67.403   0.36     4.48    8       33.9       34.5
   84   1   1   7 33.725  67.449   0.36     4.47    8      177.3      944.9
   85   4   2   2 33.868  67.736   0.362    4.43    8       63.0      118.3
   86   3   1   6 34.17   68.34    0.365    4.35    8       16.9        8.4
   87   1   3   1 34.221  68.443   0.365    4.34    8      172.4      867.2
   88   4   1   5 34.682  69.364   0.369    4.22    8        0.5        0.0
   89   5   1   3 34.722  69.445   0.37     4.21    8      125.0      442.3
   90   0   2   6 34.978  69.955   0.372    4.15    4       84.7       99.9
   91   5   0   4 34.992  69.983   0.372    4.15    4       26.3        9.6
   92   1   3   2 35.215  70.429   0.374    4.09    8      175.0      842.6
   93   2   1   7 35.507  71.013   0.377    4.03    8       50.1       68.0
   94   4   2   3 35.524  71.048   0.377    4.02    8      232.6     1462.7
   95   1   2   6 35.567  71.133   0.378    4.01    8       11.4        3.5
   96   2   3   0 35.666  71.331   0.378    3.99    4       72.1       69.7
   97   2   3   1 35.992  71.984   0.381    3.92    8      162.1      692.0
   98   0   0   8 36.045  72.091   0.382    3.91    2      235.5      364.3
   99   6   0   0 36.205  72.41    0.383    3.88    2      147.2      141.1
  100   4   0   6 36.261  72.522   0.384    3.86    4       71.0       65.6
  101   0   3   3 36.264  72.527   0.384    3.86    4      242.2      761.7
  102   3   0   7 36.41   72.821   0.385    3.83    4      178.6      410.9
  103   6   0   1 36.53   73.059   0.386    3.81    4      165.9      352.3
  104   1   0   8 36.627  73.254   0.387    3.79    4      172.8      380.4
  105   3   2   5 36.651  73.302   0.387    3.79    8       94.3      226.2
  106   1   3   3 36.844  73.688   0.389    3.75    8       37.1       34.7
  107   2   3   2 36.965  73.93    0.39     3.73    8      114.2      326.4
  108   5   1   4 37.008  74.016   0.391    3.72    8      130.1      423.0
  109   2   2   6 37.31   74.62    0.393    3.66    8      224.8     1243.6
  110   6   0   2 37.497  74.994   0.395    3.63    4      104.3      132.6
  111   4   2   4 37.79   75.58    0.398    3.58    8        3.7        0.3
  112   5   0   5 37.912  75.823   0.399    3.56    4      153.4      281.5
  113   5   2   1 38.149  76.297   0.401    3.52    8      128.4      390.1
  114   6   1   0 38.196  76.392   0.401    3.51    4       11.6        1.6
  115   4   1   6 38.251  76.502   0.402    3.5     8       91.7      197.9
  116   2   0   8 38.352  76.704   0.403    3.49    4       21.1        5.2
  117   3   1   7 38.398  76.795   0.403    3.48    8       39.3       36.1
  118   6   1   1 38.515  77.029   0.404    3.46    8      106.7      264.9
  119   2   3   3 38.566  77.131   0.405    3.45    8      103.5      248.8
  120   1   1   8 38.61   77.221   0.405    3.45    8       12.3        3.5
  121   3   3   1 38.87   77.739   0.407    3.41    8       11.9        3.3
  122   1   3   4 39.082  78.163   0.409    3.38    8       37.1       31.2
  123   6   0   3 39.09   78.181   0.409    3.38    4       75.6       64.8
  124   5   2   2 39.102  78.204   0.409    3.37    8      191.5      832.1
  125   6   1   2 39.465  78.931   0.413    3.32    8      139.1      432.4
  126   1   2   7 39.736  79.472   0.415    3.29    8       67.6      101.1
  127   3   3   2 39.818  79.636   0.416    3.28    8      103.9      237.8
  128   5   1   5 39.874  79.748   0.416    3.27    8      197.0      853.3
  129   3   2   6 40.155  80.311   0.419    3.24    8       55.7       67.6
  130   2   1   8 40.308  80.616   0.42     3.22    8       26.2       14.9
  131   4   0   7 40.406  80.812   0.421    3.21    4      193.9      404.8
  132   4   2   5 40.639  81.278   0.423    3.18    8      175.4      657.1
  133   5   2   3 40.677  81.355   0.423    3.17    8        8.3        1.5
  134   2   3   4 40.774  81.548   0.424    3.16    8       63.2       84.8
  135   6   1   3 41.037  82.074   0.426    3.13    8      159.8      538.1
  136   3   0   8 41.177  82.354   0.427    3.12    4        5.8        0.4
  137   6   0   4 41.292  82.583   0.428    3.11    4       73.2       55.9
  138   0   3   5 41.348  82.696   0.429    3.1     4      188.5      370.3
  139   5   0   6 41.384  82.768   0.429    3.1     4       58.3       35.4
  140   3   3   3 41.386  82.773   0.429    3.1     8      101.2      213.4
  141   2   2   7 41.422  82.845   0.429    3.09    8        5.5        0.6
  142   1   3   5 41.907  83.815   0.434    3.05    8      121.5      302.5
  143   1   0   9 42.01   84.02    0.434    3.04    4       78.5       62.8
  144   4   1   7 42.339  84.678   0.437    3.01    8       41.9       35.5
  145   4   3   0 42.49   84.98    0.438    3.0     4      300.7      910.1
  146   4   3   1 42.801  85.602   0.441    2.97    8       58.4       68.1
  147   5   2   4 42.861  85.723   0.442    2.96    8       23.4       10.9
  148   3   1   8 43.104  86.208   0.444    2.95    8      172.3      588.0
  149   6   1   4 43.218  86.437   0.445    2.94    8       11.5        2.6
  150   5   1   6 43.31   86.62    0.445    2.93    8        8.5        1.4
  151   0   1   9 43.377  86.753   0.446    2.93    4       99.2       96.8
  152   3   3   4 43.565  87.13    0.447    2.91    8      239.7     1124.6
  153   2   3   5 43.579  87.157   0.447    2.91    8        7.1        1.0
  154   2   0   9 43.681  87.362   0.448    2.91    4      197.8      381.7
  155   4   3   2 43.733  87.465   0.449    2.9     8       28.8       16.1
  156   0   2   8 43.86   87.72    0.45     2.89    4      215.8      452.6
  157   7   0   1 43.871  87.742   0.45     2.89    4       14.8        2.1
  158   1   1   9 43.933  87.865   0.45     2.89    8       44.8       39.0
  159   6   2   0 44.012  88.024   0.451    2.88    4      135.6      178.1
  160   4   2   6 44.065  88.13    0.451    2.88    8       65.8       83.7
  161   6   0   5 44.092  88.183   0.452    2.88    4       10.1        1.0
  162   3   2   7 44.208  88.416   0.453    2.87    8      164.1      519.9
  163   6   2   1 44.322  88.644   0.454    2.86    8      151.7      443.2
  164   1   2   8 44.415  88.831   0.454    2.86    8      158.1      480.6
  165   7   0   2 44.801  89.602   0.457    2.84    4       82.3       64.6


  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   0   1   7.059  14.118  6.2681      1070.0      8.4      8.5     5.6
    2   0   0   2   8.459  16.919  5.2362       508.2      4.0      4.0     5.6
    3   1   0   2  10.196  20.391  4.35166     5893.4     46.4     46.5     5.6
    4   0   1   1  11.371  22.743  3.90673      157.7      1.2      1.2     5.6
    5   2   0   1  12.133  24.266  3.66482     5319.5     41.8     41.9     5.6
    6   1   1   1  12.731  25.462  3.49527    12714.0    100.0    100.0     5.6
    7   1   0   3  13.982  27.965  3.18792     3682.7     29.0     28.9     5.6
    8   2   0   2  14.228  28.456  3.13405     3442.2     27.1     27.0     5.6
    9   1   1   2  14.747  29.494  3.02602    10386.6     81.7     81.4     5.6
   10   2   1   0  15.59   31.181  2.86607      574.8      4.5      4.5     5.6
   11   2   1   1  16.179  32.358  2.76441     7054.8     55.5     55.2     5.6
   12   0   1   3  16.656  33.312  2.68738     7327.6     57.6     57.3     5.6
   13   0   0   4  17.11   34.221  2.6181       647.1      5.1      5.1     5.7
   14   2   0   3  17.201  34.403  2.60466     1864.5     14.7     14.6     5.7
   15   1   1   3  17.642  35.283  2.54165      352.2      2.8      2.7     5.7
   16   3   0   1  17.72   35.439  2.53083     4917.5     38.7     38.4     5.7
   17   2   1   2  17.841  35.683  2.51409     2478.9     19.5     19.3     5.7
   18   1   0   4  18.074  36.148  2.4828      3630.0     28.6     28.3     5.7
   19   3   0   2  19.266  38.531  2.33456     1326.9     10.4     10.3     5.7
   20   2   1   3  20.349  40.698  2.21511     1590.7     12.5     12.3     5.7
   21   1   1   4  21.11   42.221  2.13869      184.9      1.5      1.4     5.7
   22   0   2   0  21.461  42.922  2.10535     3782.0     29.7     29.3     5.7
   23   3   0   3  21.633  43.267  2.08937      243.0      1.9      1.9     5.7
   24   3   1   2  22.164  44.329  2.04174     1292.6     10.2     10.0     5.7
   25   1   0   5  22.378  44.756  2.02325     1443.2     11.4     11.2     5.7
   26   2   1   4  23.484  46.967  1.93301      449.1      3.5      3.5     5.7
   27   1   2   2  23.981  47.962  1.8952      1350.2     10.6     10.4     5.7
   28   0   1   5  24.252  48.504  1.87529     1764.4     13.9     13.6     5.7
   29   3   1   3  24.303  48.605  1.87162     1044.5      8.2      8.0     5.7
   30   4   0   2  24.858  49.715  1.83241      159.5      1.3      1.2     5.7
   31   2   2   1  24.957  49.915  1.82556     2846.0     22.4     21.9     5.7
   32   4   1   0  25.734  51.469  1.77402     3752.1     29.5     28.8     5.8
   33   1   2   3  26.005  52.011  1.75681     1240.3      9.8      9.5     5.8
   34   2   2   2  26.152  52.304  1.74763     1539.0     12.1     11.8     5.8
   35   4   0   3  26.833  53.666  1.70645     1681.9     13.2     12.9     5.8
   36   3   1   4  27.081  54.162  1.692       4220.9     33.2     32.3     5.8
   37   0   2   4  28.001  56.002  1.64067      331.5      2.6      2.5     5.8
   38   2   2   3  28.063  56.126  1.63735      963.2      7.6      7.3     5.8
   39   3   0   5  28.143  56.286  1.63308      240.3      1.9      1.8     5.8
   40   3   2   1  28.419  56.838  1.61853     2495.6     19.6     19.0     5.8
   41   1   2   4  28.666  57.332  1.60575     1968.4     15.5     15.0     5.8
   42   2   0   6  28.898  57.796  1.59396     1319.8     10.4     10.0     5.8
   43   1   1   6  29.194  58.388  1.57919      257.9      2.0      2.0     5.8
   44   3   2   2  29.516  59.032  1.56348      755.0      5.9      5.7     5.8
   45   5   0   1  29.848  59.695  1.5477       387.5      3.0      2.9     5.8
   46   3   1   5  30.392  60.783  1.52257      587.9      4.6      4.5     5.8
   47   5   0   2  30.913  61.827  1.49935      812.7      6.4      6.1     5.8
   48   2   1   6  31.112  62.224  1.49072     2099.5     16.5     15.9     5.8
   49   3   2   3  31.292  62.584  1.48302      167.1      1.3      1.3     5.8
   50   4   1   4  31.634  63.268  1.46862      602.7      4.7      4.5     5.9
   51   1   2   5  31.872  63.743  1.45881     1019.0      8.0      7.7     5.9
   52   4   0   5  32.603  65.206  1.42959      602.5      4.7      4.5     5.9
   53   5   1   2  33.048  66.096  1.41248      751.8      5.9      5.6     5.9
   54   0   1   7  33.121  66.242  1.40972      704.7      5.5      5.3     5.9
   55   1   1   7  33.725  67.449  1.38738      944.9      7.4      7.1     5.9
   56   1   3   1  34.221  68.443  1.36965      867.2      6.8      6.5     5.9
   57   5   1   3  34.722  69.445  1.35231      442.3      3.5      3.3     5.9
   58   1   3   2  35.215  70.429  1.3358       842.6      6.6      6.3     5.9
   59   4   2   3  35.524  71.048  1.32568     1530.7     12.0     11.4     5.9
   60   2   3   1  35.992  71.984  1.31073      692.0      5.4      5.1     5.9
   61   0   0   8  36.045  72.091  1.30905      364.3      2.9      2.7     5.9
   62   6   0   0  36.205  72.41   1.30407      141.1      1.1      1.0     5.9
   63   0   3   3  36.264  72.527  1.30224      827.2      6.5      6.1     5.9
   64   3   0   7  36.41   72.821  1.29772      410.9      3.2      3.0     6.0
   65   6   0   1  36.53   73.059  1.29407      352.3      2.8      2.6     6.0
   66   1   0   8  36.627  73.254  1.29111      606.7      4.8      4.5     6.0
   67   2   3   2  36.965  73.93   1.28097      326.4      2.6      2.4     6.0
   68   5   1   4  37.008  74.016  1.27969      423.0      3.3      3.1     6.0
   69   2   2   6  37.31   74.62   1.27082     1243.6      9.8      9.2     6.0
   70   6   0   2  37.497  74.994  1.26541      132.6      1.0      1.0     6.0
   71   5   0   5  37.912  75.823  1.25362      281.5      2.2      2.1     6.0
   72   5   2   1  38.149  76.297  1.247        390.1      3.1      2.9     6.0
   73   4   1   6  38.251  76.502  1.24418      197.9      1.6      1.5     6.0
   74   6   1   1  38.515  77.029  1.23697      264.9      2.1      1.9     6.0
   75   2   3   3  38.566  77.131  1.23559      248.8      2.0      1.8     6.0
   76   5   2   2  39.102  78.204  1.2213       928.1      7.3      6.8     6.0
   77   6   1   2  39.465  78.931  1.21187      432.4      3.4      3.2     6.0
   78   3   3   2  39.818  79.636  1.2029       237.8      1.9      1.7     6.0
   79   5   1   5  39.874  79.748  1.2015       853.3      6.7      6.2     6.0
   80   4   0   7  40.406  80.812  1.18834      404.8      3.2      3.0     6.1
   81   4   2   5  40.639  81.278  1.1827       657.1      5.2      4.8     6.1
   82   6   1   3  41.037  82.074  1.17323      538.1      4.2      3.9     6.1
   83   0   3   5  41.348  82.696  1.16597      370.3      2.9      2.7     6.1
   84   3   3   3  41.386  82.773  1.16509      248.8      2.0      1.8     6.1
   85   1   3   5  41.907  83.815  1.15324      302.5      2.4      2.2     6.1
   86   4   3   0  42.49   84.98   1.14038      910.1      7.2      6.6     6.1
   87   3   1   8  43.104  86.208  1.12725      588.0      4.6      4.2     6.1
   88   3   3   4  43.565  87.13   1.11768     1125.6      8.9      8.1     6.2
   89   2   0   9  43.681  87.362  1.11531      381.7      3.0      2.7     6.2
   90   0   2   8  43.86   87.72   1.11168      454.7      3.6      3.3     6.2
   91   6   2   0  44.012  88.024  1.10862      178.1      1.4      1.3     6.2
   92   3   2   7  44.208  88.416  1.10472      519.9      4.1      3.7     6.2
   93   6   2   1  44.322  88.644  1.10246      443.2      3.5      3.2     6.2
   94   1   2   8  44.415  88.831  1.10063      480.6      3.8      3.4     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)