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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GREENWOODITE

1, DN

Ba(1.2)(V'''OH)(0.8)V'''(9)(Fe''',Fe'')(2)Si(2)O(22)


Hexagonal  P 3(-)m1  Z = 1

R =0.019          NR =475

1 .12 .14

Ref.Str.:

         Bartholomew P.R., Mancini F., Harlow G.E., Deifel N., Cahill C. (2012)

         Canad. Mineral., 50, 1233-1242

         L: $Ba0.6 V5.305 O11.4 Fe3+0.68 Fe2+0.3 Zn0.11 Al0.03 Mg0.02 Si0.86 H0.4$

         Ba-VOH coupled substitution.

         R: Locality - Wigwam deposit of Southeastern British Columbia, Canada.

         N.A.D.

                   Initial data from BDM-file 

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

             a =   5.75     alpha =   90.0 
             b =   5.75     beta  =   90.0 
             c =  14.459    gamma =  120.0 

    Unit cell volume (cub. angs.) =   414.0 

    Molar volume ( cub.cm/mol.) =   249.37

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

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

   1 0.3333  0.6667  0.068    0.0    Ba    = 0.6 , V     = 0.4 
   2 0.6667  0.3333  0.1773   0.0    V     = 1.00
   3 0.1838  0.3677  0.3252   0.0    V     = 1.00
   4 0.0     0.0     0.5      0.0    V     = 1.00
   5 0.5     0.0     0.0      0.0    V     = 0.27, V     = 0.0 
   6 0.3333  0.6667  0.5504   0.0    Fe    = 0.84, Zn    = 0.11, Al    = 0.05
   7 0.0     0.0     0.13     0.0    Si    = 0.86, Fe    = 0.14
   8 0.3333  0.6667  0.4172   0.0    O     = 1.00
   9 0.0     0.0     0.2499   0.0    O     = 1.00
  10 0.3031  0.1515  0.409    0.0    O     = 1.00
  11 0.0     0.5     0.2516   0.0    O     = 1.00
  12 0.3202  0.1601  0.0961   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3333     0.6667     0.068 
     2       2     0.6667     0.3333     0.1773
     3       3     0.1838     0.3677     0.3252
     4       4     0.0        0.0        0.5   
     5       5     0.5        0.0        0.0   
     6       6     0.3333     0.6667     0.5504
     7       7     0.0        0.0        0.13  
     8       8     0.3333     0.6667     0.4172
     9       9     0.0        0.0        0.2499
    10      10     0.3031     0.1515     0.409 
    11      11     0.0        0.5        0.2516
    12      12     0.3202     0.1601     0.0961
    13       3     0.6324     0.8162     0.3252
    14       3     0.1838     0.8162     0.3252
    15       5     0.0        0.5        0.0   
    16       5     0.5        0.5        0.0   
    17      10     0.8485     0.1516     0.409 
    18      10     0.8484     0.6969     0.409 
    19      11     0.5        0.5        0.2516
    20      11     0.5        0.0        0.2516
    21      12     0.8399     0.1601     0.0961
    22      12     0.8399     0.6798     0.0961
    23       1     0.6667     0.3333     0.9319
    24       2     0.3333     0.6667     0.8227
    25       3     0.8162     0.6323     0.6748
    26       6     0.6667     0.3333     0.4496
    27       7     0.0        0.0        0.87  
    28       8     0.6667     0.3333     0.5828
    29       9     0.0        0.0        0.7501
    30      10     0.6969     0.8485     0.591 
    31      11     0.0        0.5        0.7484
    32      12     0.6798     0.8399     0.9039
    33       3     0.3676     0.1838     0.6748
    34       3     0.8162     0.1838     0.6748
    35      10     0.1515     0.8484     0.591 
    36      10     0.1516     0.3031     0.591 
    37      11     0.5        0.5        0.7484
    38      11     0.5        0.0        0.7484
    39      12     0.1601     0.8399     0.9039
    40      12     0.1601     0.3202     0.9039


X-ray density (g/cm cub.)   =      4.94

MU (1/cm) =     890.164    Mass attenuation coefficient (cm**2/g) =    180.183

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

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

    1   Ba   ,V              3.288       12
                                                 3.1299      11
                                                 2.9042      12
                                                 2.9042      12
                                                 3.13        11
                                                 3.1299      11
                                                 2.9042      12
                                                 2.9042      12
                                                 2.9043      12
                                                 2.9041      12
                                                 2.9343      12
                                                 2.9343      12
                                                 2.9343      12
    2    V                   2.496        6
                                                 1.9767      11
                                                 2.0871      12
                                                 1.9767      11
                                                 1.9767      11
                                                 2.0871      12
                                                 2.0871      12
    3    V                   2.496        6
                                                 1.9969       8
                                                 2.1299       9
                                                 2.0826      10
                                                 1.9062      11
                                                 2.0821      10
                                                 1.9062      11
    4    V                   2.496        6
                                                 2.0021      10
                                                 2.0021      10
                                                 2.0021      10
                                                 2.0021      10
                                                 2.0021      10
                                                 2.0021      10
    5   V    ,V              2.496        4
                                                 2.1906      12
                                                 2.1906      12
                                                 2.1906      12
                                                 2.1906      12
    6   Fe   ,Zn   ,Al       2.628        4
                                                 1.9261       8
                                                 1.9031      10
                                                 1.9031      10
                                                 1.9031      10
    7   Si   ,Fe             2.592        4
                                                 1.7332       9
                                                 1.6682      12
                                                 1.6682      12
                                                 1.6682      12
    8    O                   3.264       12
                                                 2.8811      10
                                                 2.8817      10
                                                 2.9138      11
                                                 2.8816      10
                                                 2.8811      10
                                                 2.8812      10
                                                 2.8816      10
                                                 2.9139      11
                                                 2.9138      11
                                                 3.097       10
                                                 3.097       10
                                                 3.097       10
    9    O                   3.264       12
                                                 2.7516      10
                                                 2.8751      11
                                                 2.8751      11
                                                 2.7364      12
                                                 2.7516      10
                                                 2.7516      10
                                                 2.8751      11
                                                 2.8751      11
                                                 2.8752      11
                                                 2.875       11
                                                 2.7363      12
                                                 2.7364      12
   10    O                   3.264       12
                                                 2.8817       8
                                                 2.8811       8
                                                 2.7516       9
                                                 3.1358      10
                                                 2.6142      10
                                                 3.1358      10
                                                 2.6142      10
                                                 2.8655      11
                                                 2.8653      11
                                                 3.097        8
                                                 3.0331      10
                                                 3.0332      10
   11    O                   3.264       11
                                                 2.9138       8
                                                 2.8751       9
                                                 2.8751       9
                                                 2.8653      10
                                                 2.8655      10
                                                 2.875       11
                                                 2.875       11
                                                 2.875       11
                                                 2.875       11
                                                 2.8145      12
                                                 2.8144      12
   12    O                   3.264        9
                                                 2.7364       9
                                                 2.8144      11
                                                 2.8145      11
                                                 2.9883      12
                                                 2.7617      12
                                                 2.9883      12
                                                 2.7617      12
                                                 3.2039      12
                                                 3.204       12

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

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

    1   0   0   1  3.054   6.108   0.035  701.72    2        5.9       28.1
    2   0   0   2  6.116  12.233   0.069  173.21    2       15.3       47.4
    3   1   0   0  8.899  17.797   0.1     80.65    6       17.5       86.2
    4   0   0   3  9.196  18.393   0.104   75.37    2       36.3      115.8
    5   1   0  -1  9.416  18.832   0.106   71.8     6        5.8        8.5
    6   1   0   1  9.416  18.832   0.106   71.8     6       36.7      338.1
    7   1   0  -2 10.826  21.652   0.122   53.79    6       14.3       38.3
    8   1   0   2 10.826  21.652   0.122   53.79    6       21.8       89.6
    9   0   0   4 12.304  24.607   0.138   41.17    2       41.4       82.3
   10   1   0  -3 12.851  25.702   0.144   37.57    6        2.8        1.0
   11   1   0   3 12.851  25.702   0.144   37.57    6       39.4      204.3
   12   1   0  -4 15.267  30.534   0.171   26.04    6      121.8     1351.6
   13   1   0   4 15.267  30.534   0.171   26.04    6      161.6     2380.4
   14   0   0   5 15.448  30.896   0.173   25.39    2       88.5      232.1
   15   1   1   0 15.541  31.081   0.174   25.07    6      134.1     1577.8
   16   1   1   1 15.853  31.706   0.177   24.01   12       35.3      209.7
   17   1   1   2 16.758  33.516   0.187   21.29   12       79.1      932.0
   18   1   0  -5 17.94   35.88    0.2     18.35    6       23.6       35.7
   19   1   0   5 17.94   35.88    0.2     18.35    6       43.0      118.6
   20   2   0   0 18.021  36.043   0.201   18.17    6       54.8      190.7
   21   1   1   3 18.178  36.356   0.203   17.83   12       98.4     1208.2
   22   2   0  -1 18.296  36.592   0.204   17.58    6       62.6      240.8
   23   2   0   1 18.296  36.592   0.204   17.58    6       24.9       38.3
   24   0   0   6 18.641  37.282   0.207   16.87    2       32.4       20.6
   25   2   0  -2 19.099  38.198   0.212   15.99    6      126.8      899.4
   26   2   0   2 19.099  38.198   0.212   15.99    6       62.3      217.2
   27   1   1   4 20.019  40.038   0.222   14.41   12        1.9        0.4
   28   2   0  -3 20.378  40.756   0.226   13.85    6      148.1     1063.6
   29   2   0   3 20.378  40.756   0.226   13.85    6       60.8      179.1
   30   1   0  -6 20.8    41.599   0.231   13.23    6       67.5      210.7
   31   1   0   6 20.8    41.599   0.231   13.23    6       12.0        6.7
   32   0   0   7 21.895  43.791   0.242   11.79    2       21.1        6.1
   33   2   0  -4 22.065  44.13    0.244   11.59    6       58.6      139.3
   34   2   0   4 22.065  44.13    0.244   11.59    6      111.6      504.9
   35   1   1   5 22.198  44.395   0.245   11.43   12       11.9       11.3
   36   1   0  -7 23.811  47.622   0.262    9.75    6       11.5        4.5
   37   1   0   7 23.811  47.622   0.262    9.75    6       15.7        8.5
   38   2   0  -5 24.094  48.189   0.265    9.49    6       79.9      212.1
   39   2   0   5 24.094  48.189   0.265    9.49    6      109.9      401.4
   40   2   1   0 24.158  48.317   0.266    9.44   12        0.2        0.0
   41   2   1  -1 24.375  48.751   0.268    9.25   12       37.8       92.7
   42   2   1   1 24.375  48.751   0.268    9.25   12       23.3       35.0
   43   1   1   6 24.65   49.3     0.271    9.01   12       36.6       84.7
   44   2   1  -2 25.018  50.036   0.275    8.72   12       16.2       16.0
   45   2   1   2 25.018  50.036   0.275    8.72   12       56.6      195.6
   46   0   0   8 25.226  50.452   0.277    8.55    2      100.9      101.6
   47   2   1  -3 26.063  52.126   0.285    7.94   12       30.8       52.6
   48   2   1   3 26.063  52.126   0.285    7.94   12        2.1        0.2
   49   2   0  -6 26.413  52.826   0.289    7.7     6       60.4       98.4
   50   2   0   6 26.413  52.826   0.289    7.7     6       60.1       97.3
   51   1   0  -8 26.961  53.923   0.294    7.35    6       59.3       90.5
   52   1   0   8 26.961  53.923   0.294    7.35    6      100.3      258.7
   53   1   1   7 27.334  54.669   0.298    7.12   12       26.8       35.8
   54   2   1  -4 27.478  54.957   0.3      7.04   12       88.3      384.7
   55   2   1   4 27.478  54.957   0.3      7.04   12      117.9      685.4
   56   3   0   0 27.649  55.298   0.301    6.94    6      104.3      264.4
   57   3   0  -1 27.847  55.693   0.303    6.83    6        1.5        0.1
   58   3   0   1 27.847  55.693   0.303    6.83    6       73.2      128.2
   59   3   0  -2 28.433  56.866   0.309    6.51    6       99.8      226.9
   60   3   0   2 28.433  56.866   0.309    6.51    6       36.6       30.5
   61   0   0   9 28.65   57.3     0.311    6.4     2       48.3       17.5
   62   2   0  -7 28.982  57.964   0.315    6.24    6      172.2      647.3
   63   2   0   7 28.982  57.964   0.315    6.24    6      106.5      247.5
   64   2   1  -5 29.229  58.459   0.317    6.12   12       30.8       40.7
   65   2   1   5 29.229  58.459   0.317    6.12   12       72.6      225.7
   66   3   0  -3 29.394  58.787   0.319    6.04    6       95.3      192.3
   67   3   0   3 29.394  58.787   0.319    6.04    6       81.0      138.8
   68   1   1   8 30.226  60.451   0.327    5.68   12       56.6      127.5
   69   1   0  -9 30.251  60.503   0.327    5.67    6       21.4        9.1
   70   1   0   9 30.251  60.503   0.327    5.67    6       48.2       46.1
   71   3   0  -4 30.707  61.414   0.331    5.48    6       24.3       11.3
   72   3   0   4 30.707  61.414   0.331    5.48    6       29.7       16.9
   73   2   1  -6 31.285  62.569   0.337    5.26   12       98.2      355.3
   74   2   1   6 31.285  62.569   0.337    5.26   12       22.7       19.0
   75   2   0  -8 31.778  63.557   0.342    5.08    6      116.2      240.2
   76   2   0   8 31.778  63.557   0.342    5.08    6      183.1      596.6
   77   0   0  10 32.19   64.381   0.346    4.94    2       16.5        1.6
   78   3   0  -5 32.349  64.697   0.347    4.89    6       10.8        2.0
   79   3   0   5 32.349  64.697   0.347    4.89    6       28.8       14.2
   80   2   2   0 32.401  64.803   0.348    4.87    6      288.5     1420.0
   81   2   2   1 32.581  65.162   0.35     4.81   12        6.0        1.2
   82   2   2   2 33.116  66.232   0.355    4.65   12       15.2        7.6
   83   1   1   9 33.315  66.63    0.357    4.59   12       61.5      121.7
   84   2   1  -7 33.62   67.239   0.359    4.5    12        9.3        2.7
   85   2   1   7 33.62   67.239   0.359    4.5    12       20.1       12.7
   86   1   0 -10 33.693  67.385   0.36     4.48    6       45.7       32.8
   87   1   0  10 33.693  67.385   0.36     4.48    6       22.3        7.8
   88   3   1   0 33.899  67.798   0.362    4.43   12       20.9       13.6
   89   2   2   3 33.999  67.997   0.363    4.4    12       20.4       12.8
   90   3   1  -1 34.074  68.148   0.364    4.38   12       22.4       15.3
   91   3   1   1 34.074  68.148   0.364    4.38   12       10.3        3.3
   92   3   0  -6 34.297  68.595   0.366    4.32    6       27.4       11.4
   93   3   0   6 34.297  68.595   0.366    4.32    6       44.7       30.3
   94   3   1  -2 34.598  69.196   0.369    4.24   12       19.2       11.0
   95   3   1   2 34.598  69.196   0.369    4.24   12        1.3        0.1
   96   2   0  -9 34.793  69.585   0.37     4.19    6       16.3        3.9
   97   2   0   9 34.793  69.585   0.37     4.19    6       43.8       28.2
   98   2   2   4 35.216  70.432   0.374    4.09   12       22.7       14.7
   99   3   1  -3 35.463  70.926   0.377    4.04   12       39.5       44.0
  100   3   1   3 35.463  70.926   0.377    4.04   12        5.2        0.8
  101   0   0  11 35.874  71.748   0.38     3.95    2       38.5        6.8
  102   2   1  -8 36.219  72.438   0.384    3.87   12       38.4       40.1
  103   2   1   8 36.219  72.438   0.384    3.87   12       60.3       98.6
  104   3   0  -7 36.536  73.072   0.386    3.81    6       45.6       27.7
  105   3   0   7 36.536  73.072   0.386    3.81    6        3.7        0.2
  106   1   1  10 36.606  73.212   0.387    3.8    12       48.0       61.3
  107   3   1  -4 36.659  73.318   0.388    3.79   12      103.6      284.2
  108   3   1   4 36.659  73.318   0.388    3.79   12       85.0      191.5
  109   2   2   5 36.755  73.511   0.388    3.77   12       61.1       98.4
  110   1   0 -11 37.307  74.613   0.393    3.66    6      100.5      129.5
  111   1   0  11 37.307  74.613   0.393    3.66    6       10.4        1.4
  112   2   0 -10 38.028  76.056   0.4      3.54    6       62.6       48.5
  113   2   0  10 38.028  76.056   0.4      3.54    6       71.5       63.3
  114   3   1  -5 38.175  76.351   0.401    3.52   12       37.8       35.2
  115   3   1   5 38.175  76.351   0.401    3.52   12        6.2        0.9
  116   4   0   0 38.224  76.449   0.402    3.51    6       33.9       14.1
  117   4   0  -1 38.392  76.783   0.403    3.48    6       25.3        7.8
  118   4   0   1 38.392  76.783   0.403    3.48    6       42.0       21.5
  119   2   2   6 38.604  77.209   0.405    3.45   12        7.9        1.5
  120   4   0  -2 38.892  77.783   0.408    3.41    6       51.1       31.1
  121   4   0   2 38.892  77.783   0.408    3.41    6       82.0       80.2
  122   3   0  -8 39.055  78.11    0.409    3.38    6       32.1       12.2
  123   3   0   8 39.055  78.11    0.409    3.38    6       58.6       40.6
  124   2   1  -9 39.078  78.156   0.409    3.38   12       14.6        5.0
  125   2   1   9 39.078  78.156   0.409    3.38   12       54.9       71.3
  126   4   0  -3 39.721  79.442   0.415    3.29    6       38.0       16.7
  127   4   0   3 39.721  79.442   0.415    3.29    6       93.2      100.1
  128   0   0  12 39.738  79.476   0.415    3.29    2      130.3       65.1
  129   3   1  -6 40.003  80.006   0.417    3.25   12       11.1        2.8
  130   3   1   6 40.003  80.006   0.417    3.25   12       51.4       60.3
  131   1   1  11 40.117  80.234   0.418    3.24   12       27.7       17.4
  132   2   2   7 40.756  81.512   0.424    3.16   12       20.2        9.1
  133   4   0  -4 40.875  81.75    0.425    3.15    6       79.2       69.3
  134   4   0   4 40.875  81.75    0.425    3.15    6       21.7        5.2
  135   1   0 -12 41.127  82.254   0.427    3.12    6       87.4       83.5
  136   1   0  12 41.127  82.254   0.427    3.12    6       70.4       54.3
  137   2   0 -11 41.503  83.006   0.43     3.09    6        6.0        0.4
  138   2   0  11 41.503  83.006   0.43     3.09    6        5.0        0.3
  139   3   0  -9 41.856  83.711   0.433    3.05    6       39.0       16.2
  140   3   0   9 41.856  83.711   0.433    3.05    6       78.4       65.7
  141   3   1  -7 42.138  84.275   0.435    3.03   12       23.2       11.4
  142   3   1   7 42.138  84.275   0.435    3.03   12        1.5        0.0
  143   2   1 -10 42.205  84.41    0.436    3.02   12       14.8        4.7
  144   2   1  10 42.205  84.41    0.436    3.02   12       29.1       17.9
  145   4   0  -5 42.349  84.698   0.437    3.01    6       74.9       59.1
  146   4   0   5 42.349  84.698   0.437    3.01    6       58.1       35.6
  147   3   2   0 42.397  84.793   0.438    3.0    12       27.1       15.4
  148   3   2  -1 42.56   85.12    0.439    2.99   12       15.8        5.2
  149   3   2   1 42.56   85.12    0.439    2.99   12       36.5       27.9
  150   3   2  -2 43.049  86.098   0.443    2.95   12        4.6        0.4
  151   3   2   2 43.049  86.098   0.443    2.95   12       12.2        3.1
  152   2   2   8 43.209  86.419   0.444    2.94   12       73.6      111.4
  153   0   0  13 43.833  87.665   0.45     2.9     2       27.8        2.6
  154   3   2  -3 43.863  87.727   0.45     2.89   12       11.7        2.8
  155   3   2   3 43.863  87.727   0.45     2.89   12       51.7       54.1
  156   1   1  12 43.88   87.761   0.45     2.89   12        8.9        1.6
  157   4   0  -6 44.141  88.282   0.452    2.88    6       50.5       25.7
  158   4   0   6 44.141  88.282   0.452    2.88    6       37.5       14.2
  159   3   1  -8 44.581  89.163   0.456    2.85   12       76.1      115.7
  160   3   1   8 44.581  89.163   0.456    2.85   12       52.5       55.1
  161   3   0 -10 44.952  89.903   0.459    2.83    6       71.4       50.5
  162   3   0  10 44.952  89.903   0.459    2.83    6       14.5        2.1


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

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

    1   0   0   2   6.116  12.233  7.2295        47.4      1.3      1.3     5.6
    2   1   0   0   8.899  17.797  4.97965       86.2      2.3      2.3     5.6
    3   0   0   3   9.196  18.393  4.81967      115.8      3.1      3.1     5.6
    4   1   0   1   9.416  18.832  4.70825      346.6      9.3      9.4     5.6
    5   1   0   2  10.826  21.652  4.10096      127.9      3.4      3.5     5.6
    6   0   0   4  12.304  24.607  3.61475       82.3      2.2      2.2     5.6
    7   1   0   3  12.851  25.702  3.4632       205.3      5.5      5.5     5.6
    8   1   0   4  15.267  30.534  2.92528     3732.0    100.0    100.0     5.6
    9   0   0   5  15.448  30.896  2.8918       232.1      6.2      6.2     5.6
   10   1   1   0  15.541  31.081  2.875       1577.8     42.3     42.3     5.6
   11   1   1   1  15.853  31.706  2.8198       209.7      5.6      5.6     5.6
   12   1   1   2  16.758  33.516  2.67151      932.0     25.0     24.9     5.7
   13   1   0   5  17.94   35.88   2.50071      154.3      4.1      4.1     5.7
   14   2   0   0  18.021  36.043  2.48982      190.7      5.1      5.1     5.7
   15   1   1   3  18.178  36.356  2.46908     1208.2     32.4     32.2     5.7
   16   2   0   1  18.296  36.592  2.45371      279.0      7.5      7.4     5.7
   17   2   0   2  19.099  38.198  2.35412     1116.6     29.9     29.7     5.7
   18   2   0   3  20.378  40.756  2.21209     1242.7     33.3     33.0     5.7
   19   1   0   6  20.8    41.599  2.16918      217.4      5.8      5.8     5.7
   20   2   0   4  22.065  44.13   2.05048      644.1     17.3     17.0     5.7
   21   2   0   5  24.094  48.189  1.88682      613.5     16.4     16.2     5.7
   22   2   1   1  24.375  48.751  1.86638      127.7      3.4      3.4     5.7
   23   1   1   6  24.65   49.3    1.84685       84.7      2.3      2.2     5.7
   24   2   1   2  25.018  50.036  1.82142      211.6      5.7      5.6     5.7
   25   0   0   8  25.226  50.452  1.80738      101.6      2.7      2.7     5.8
   26   2   1   3  26.063  52.126  1.75319       52.8      1.4      1.4     5.8
   27   2   0   6  26.413  52.826  1.7316       195.7      5.2      5.1     5.8
   28   1   0   8  26.961  53.923  1.69893      349.2      9.4      9.1     5.8
   29   2   1   4  27.478  54.957  1.66939     1070.1     28.7     27.9     5.8
   30   3   0   0  27.649  55.298  1.65988      264.4      7.1      6.9     5.8
   31   3   0   1  27.847  55.693  1.64905      128.2      3.4      3.3     5.8
   32   3   0   2  28.433  56.866  1.61779      257.4      6.9      6.7     5.8
   33   2   0   7  28.982  57.964  1.58973      894.8     24.0     23.3     5.8
   34   2   1   5  29.229  58.459  1.57745      266.3      7.1      6.9     5.8
   35   3   0   3  29.394  58.787  1.56942      331.1      8.9      8.6     5.8
   36   1   1   8  30.226  60.451  1.53013      182.6      4.9      4.7     5.8
   37   2   1   6  31.285  62.569  1.48333      374.4     10.0      9.7     5.8
   38   2   0   8  31.778  63.557  1.46264      836.8     22.4     21.6     5.9
   39   2   2   0  32.401  64.803  1.4375      1420.0     38.0     36.5     5.9
   40   1   1   9  33.315  66.63   1.40245      121.7      3.3      3.1     5.9
   41   1   0  10  33.693  67.385  1.38855       40.6      1.1      1.0     5.9
   42   3   0   6  34.297  68.595  1.36699       41.6      1.1      1.1     5.9
   43   3   1   3  35.463  70.926  1.32767       44.8      1.2      1.1     5.9
   44   2   1   8  36.219  72.438  1.30363      138.7      3.7      3.5     5.9
   45   1   1  10  36.606  73.212  1.29174       61.3      1.6      1.6     6.0
   46   3   1   4  36.659  73.318  1.29014      475.7     12.7     12.1     6.0
   47   2   2   5  36.755  73.511  1.28723       98.4      2.6      2.5     6.0
   48   1   0  11  37.307  74.613  1.27092      130.9      3.5      3.3     6.0
   49   2   0  10  38.028  76.056  1.25036      111.8      3.0      2.8     6.0
   50   4   0   2  38.892  77.783  1.22685      111.3      3.0      2.8     6.0
   51   2   1   9  39.078  78.156  1.22193      129.1      3.5      3.2     6.0
   52   0   0  12  39.738  79.476  1.20492      181.8      4.9      4.5     6.0
   53   3   1   6  40.003  80.006  1.19827       63.1      1.7      1.6     6.0
   54   4   0   4  40.875  81.75   1.17706       74.5      2.0      1.9     6.1
   55   1   0  12  41.127  82.254  1.17112      137.7      3.7      3.4     6.1
   56   3   0   9  41.856  83.711  1.1544        82.0      2.2      2.0     6.1
   57   4   0   5  42.349  84.698  1.14346       94.7      2.5      2.3     6.1
   58   2   2   8  43.209  86.419  1.12505      111.4      3.0      2.7     6.1
   59   3   2   3  43.863  87.727  1.11161       61.1      1.6      1.5     6.2
   60   4   0   6  44.141  88.282  1.10604       39.9      1.1      1.0     6.2
   61   3   1   8  44.581  89.163  1.09739      170.7      4.6      4.2     6.2
   62   3   0  10  44.952  89.903  1.09026       52.6      1.4      1.3     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)