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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DARAPIOSITE

1, Li, Zn, f-sogdianite

(Mn, Zr,Y)(2)K(Na,K)(2)(Li,Zn,Fe)(3)Si(12)O(30)


Hexagonal  P 6/mcc  Z = 2

R =0.031          NR =447

10 .10 .1901

Ref.Str.:

         G.Ferraris, M.Prencipe, L.A. Pantov, E.V. Sokolova (1999)

         * Canad. Mineral., 37, 769-774

Reserv:

         [Mn(1.54)Zr(0.3)Y(0.23)Mg(0.03)][Na(1.22)K(0.3)]K*

         *[Li(1.53)Zn(1.15)Fe(0.31)][Si(11.98)O(30)]

         There are U(ij) in the article. D.T.N.

                   Initial data from BDM-file 

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

             a =  10.262    alpha =   90.0 
             b =  10.262    beta  =   90.0 
             c =  14.307    gamma =  120.0 

    Unit cell volume (cub. angs.) =  1304.8 

    Molar volume ( cub.cm/mol.) =   392.96

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

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

   1 0.3333  0.6667  0.25     0.0    Mn    = 0.73, Zr    = 0.14, Y     = 0.13
   2 0.3333  0.6667  0.0      0.0    Na    = 0.61, K     = 0.18
   3 0.0     0.0     0.25     0.0    K     = 1.00
   4 0.109   0.3467  0.1104   0.0    Si    = 1.00
   5 0.0     0.5     0.25     0.0    Li    = 0.51, Zn    = 0.39, Fe    = 0.1 
   6 0.125   0.3857  0.0      0.0    O     = 1.00
   7 0.2142  0.2743  0.1355   0.0    O     = 1.00
   8 0.153   0.4946  0.1687   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     0.25  
     2       2     0.3333     0.6667     0.0   
     3       3     0.0        0.0        0.25  
     4       4     0.109      0.3467     0.1104
     5       5     0.0        0.5        0.25  
     6       6     0.125      0.3857     0.0   
     7       7     0.2142     0.2743     0.1355
     8       8     0.153      0.4946     0.1687
     9       4     0.6533     0.7623     0.1104
    10       4     0.2377     0.891      0.1104
    11       5     0.5        0.5        0.25  
    12       5     0.5        0.0        0.25  
    13       6     0.6143     0.7393     0.0   
    14       6     0.2607     0.875      0.0   
    15       7     0.7257     0.9399     0.1355
    16       7     0.0601     0.7858     0.1355
    17       8     0.5054     0.6584     0.1687
    18       8     0.3416     0.847      0.1687
    19       1     0.6667     0.3333     0.25  
    20       2     0.6667     0.3333     0.0   
    21       4     0.891      0.6533     0.1104
    22       6     0.875      0.6143     0.0   
    23       7     0.7858     0.7257     0.1355
    24       8     0.847      0.5054     0.1687
    25       4     0.3467     0.2377     0.1104
    26       4     0.7623     0.109      0.1104
    27       6     0.3857     0.2607     0.0   
    28       6     0.7393     0.125      0.0   
    29       7     0.2743     0.0601     0.1355
    30       7     0.9399     0.2142     0.1355
    31       8     0.4946     0.3416     0.1687
    32       8     0.6584     0.153      0.1687
    33       1     0.3333     0.6666     0.75  
    34       2     0.3333     0.6666     0.5   
    35       3     0.0        0.0        0.75  
    36       4     0.109      0.7623     0.6104
    37       5     0.0        0.5        0.75  
    38       6     0.125      0.7393     0.5   
    39       7     0.2142     0.9399     0.6355
    40       8     0.153      0.6584     0.6687
    41       4     0.6533     0.891      0.6104
    42       4     0.2377     0.3467     0.6104
    43       5     0.5        0.0        0.75  
    44       5     0.5        0.5        0.75  
    45       6     0.6143     0.875      0.5   
    46       6     0.2607     0.3857     0.5   
    47       7     0.7257     0.7858     0.6355
    48       7     0.0601     0.2743     0.6355
    49       8     0.5054     0.847      0.6687
    50       8     0.3416     0.4946     0.6687
    51       1     0.6667     0.3334     0.75  
    52       2     0.6667     0.3334     0.5   
    53       4     0.891      0.2377     0.6104
    54       6     0.875      0.2607     0.5   
    55       7     0.7858     0.0601     0.6355
    56       8     0.847      0.3416     0.6687
    57       4     0.3467     0.109      0.6104
    58       4     0.7623     0.6533     0.6104
    59       6     0.3857     0.125      0.5   
    60       6     0.7393     0.6143     0.5   
    61       7     0.2743     0.2142     0.6355
    62       7     0.9399     0.7257     0.6355
    63       8     0.4946     0.153      0.6687
    64       8     0.6584     0.5054     0.6687
    65       4     0.109      0.3467     0.8896
    66       7     0.2142     0.2743     0.8645
    67       8     0.153      0.4946     0.8313
    68       4     0.6533     0.7623     0.8896
    69       4     0.2377     0.891      0.8896
    70       7     0.7257     0.9399     0.8645
    71       7     0.0601     0.7858     0.8645
    72       8     0.5054     0.6584     0.8313
    73       8     0.3416     0.847      0.8313
    74       4     0.891      0.6533     0.8896
    75       7     0.7858     0.7257     0.8645
    76       8     0.847      0.5054     0.8313
    77       4     0.3467     0.2377     0.8896
    78       4     0.7623     0.109      0.8896
    79       7     0.2743     0.0601     0.8645
    80       7     0.9399     0.2142     0.8645
    81       8     0.4946     0.3416     0.8313
    82       8     0.6584     0.153      0.8313
    83       4     0.109      0.7623     0.3896
    84       7     0.2142     0.9399     0.3645
    85       8     0.153      0.6584     0.3313
    86       4     0.6533     0.891      0.3896
    87       4     0.2377     0.3467     0.3896
    88       7     0.7257     0.7858     0.3645
    89       7     0.0601     0.2743     0.3645
    90       8     0.5054     0.847      0.3313
    91       8     0.3416     0.4946     0.3313
    92       4     0.891      0.2377     0.3896
    93       7     0.7858     0.0601     0.3645
    94       8     0.847      0.3416     0.3313
    95       4     0.3467     0.109      0.3896
    96       4     0.7623     0.6533     0.3896
    97       7     0.2743     0.2142     0.3645
    98       7     0.9399     0.7257     0.3645
    99       8     0.4946     0.153      0.3313
   100       8     0.6584     0.5054     0.3313


X-ray density (g/cm cub.)   =      2.88

MU (1/cm) =     162.413    Mass attenuation coefficient (cm**2/g) =     56.439

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

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

    1   Mn   ,Zr   ,Y        2.796        6
                                                 2.1512       8
                                                 2.1517       8
                                                 2.1508       8
                                                 2.1508       8
                                                 2.1513       8
                                                 2.1516       8
    2   Na   ,K              3.228        9
                                                 2.5924       6
                                                 3.0167       8
                                                 2.5927       6
                                                 2.5916       6
                                                 3.017        8
                                                 3.0163       8
                                                 3.0167       8
                                                 3.017        8
                                                 3.0163       8
    3    K                   3.228       12
                                                 3.0416       7
                                                 3.0416       7
                                                 3.0417       7
                                                 3.0416       7
                                                 3.0416       7
                                                 3.0417       7
                                                 3.0416       7
                                                 3.0416       7
                                                 3.0417       7
                                                 3.0416       7
                                                 3.0416       7
                                                 3.0417       7
    4    Si                  2.1          4
                                                 1.6175       6
                                                 1.6274       7
                                                 1.5868       8
                                                 1.6217       7
    5   Li   ,Zn   ,Fe       2.628        4
                                                 1.9769       8
                                                 1.9769       8
                                                 1.9769       8
                                                 1.9769       8
    6    O                   3.264        6
                                                 2.6362       7
                                                 2.6145       8
                                                 2.6685       7
                                                 2.6362       7
                                                 2.6145       8
                                                 2.6685       7
    7    O                   3.264        6
                                                 2.6362       6
                                                 2.6741       8
                                                 2.6684       6
                                                 2.5627       7
                                                 2.5629       7
                                                 2.6448       8
    8    O                   3.264        8
                                                 2.6145       6
                                                 2.6741       7
                                                 3.1344       8
                                                 3.1344       8
                                                 3.197        8
                                                 2.6449       7
                                                 2.8701       8
                                                 3.0262       8

  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   0  5.776  11.553   0.056  194.47    6       41.3      117.1
    2   0   0   2  7.183  14.366   0.07   124.97    2      168.6      417.1
    3   1   0   2  9.237  18.473   0.09    74.7    12       54.1      153.8
    4   1   1   0 10.039  20.079   0.097   62.9     6       29.8       19.7
    5   2   0   0 11.613  23.225   0.113   46.47    6      132.6      287.8
    6   1   1   2 12.388  24.776   0.12    40.58   12      118.2      399.8
    7   2   0   2 13.708  27.415   0.132   32.77   12      121.7      342.2
    8   0   0   4 14.482  28.964   0.14    29.16    2      149.6       76.7
    9   2   1   0 15.443  30.887   0.149   25.41   12        5.8        0.6
   10   1   0   4 15.639  31.277   0.151   24.73   12      113.4      224.2
   11   2   1   1 15.874  31.748   0.153   23.94   24      140.6      667.1
   12   2   1   2 17.108  34.217   0.164   20.36   24       56.3       91.1
   13   3   0   0 17.574  35.148   0.169   19.2     6      116.7       92.1
   14   1   1   4 17.749  35.497   0.17    18.79   12      230.4      702.7
   15   2   0   4 18.725  37.45    0.179   16.7    12      155.2      283.5
   16   2   1   3 19.008  38.017   0.182   16.16   24       64.0       93.2
   17   3   0   2 19.075  38.15    0.183   16.03   12       35.9       14.6
   18   2   2   0 20.405  40.809   0.195   13.81    6      276.8      372.8
   19   3   1   0 21.278  42.555   0.203   12.57   12       41.4       15.2
   20   2   1   4 21.426  42.852   0.204   12.38   24       45.3       35.7
   21   3   1   1 21.607  43.213   0.206   12.15   24       55.6       52.9
   22   2   2   2 21.74   43.48    0.207   11.98   12       94.7       75.7
   23   0   0   6 22.031  44.063   0.21    11.63    2       30.4        1.3
   24   3   1   2 22.571  45.141   0.215   11.01   24       11.1        1.9
   25   1   0   6 22.854  45.708   0.217   10.7    12       12.0        1.1
   26   3   0   4 23.082  46.165   0.219   10.46   12      108.5       86.8
   27   4   0   0 23.74   47.48    0.225    9.82    6       10.1        0.4
   28   3   1   3 24.11   48.22    0.228    9.48   24       77.6       80.5
   29   2   1   5 24.245  48.49    0.23     9.36   24        5.9        0.5
   30   1   1   6 24.434  48.868   0.231    9.2    12       36.9        8.8
   31   4   0   2 24.933  49.866   0.236    8.78   12       96.2       57.3
   32   2   0   6 25.196  50.391   0.238    8.58   12       49.1       14.6
   33   2   2   4 25.408  50.816   0.24     8.41   12      152.0      137.1
   34   3   2   0 26.021  52.043   0.245    7.97   12      100.3       56.5
   35   3   1   4 26.149  52.298   0.246    7.88   24      130.8      190.0
   36   3   2   1 26.304  52.609   0.248    7.78   24        4.3        0.2
   37   3   2   2 27.141  54.282   0.255    7.24   24        9.6        0.9
   38   2   1   6 27.388  54.777   0.257    7.09   24       30.7        9.4
   39   4   1   0 27.466  54.932   0.258    7.05   12      137.1       93.3
   40   4   1   1 27.739  55.477   0.26     6.89   24       92.7       83.4
   41   4   0   4 28.29   56.58    0.265    6.59   12       20.3        1.9
   42   3   2   3 28.497  56.995   0.267    6.48   24       15.7        2.2
   43   4   1   2 28.546  57.093   0.267    6.46   24       74.2       50.1
   44   3   1   5 28.617  57.235   0.268    6.42   24      105.1       99.9
   45   3   0   6 28.786  57.572   0.269    6.34   12       95.0       40.3
   46   4   1   3 29.861  59.722   0.278    5.83   24       25.6        5.4
   47   0   0   8 30.01   60.02    0.28     5.77    2      424.6      122.2
   48   5   0   0 30.214  60.428   0.281    5.68    6      143.0       41.0
   49   3   2   4 30.33   60.66    0.282    5.63   24       35.9       10.2
   50   1   0   8 30.676  61.351   0.285    5.49   12       11.1        0.5
   51   2   2   6 30.805  61.61    0.286    5.44   12      222.1      189.2
   52   2   1   7 30.816  61.632   0.286    5.44   24       42.6       13.9
   53   5   0   2 31.234  62.468   0.29     5.28   12       34.7        4.5
   54   3   1   6 31.461  62.922   0.292    5.2    24       36.9       10.0
   55   3   3   0 31.532  63.064   0.292    5.17    6       70.8        9.1
   56   4   1   4 31.645  63.29    0.293    5.13   24      104.4       78.9
   57   1   1   8 31.983  63.965   0.296    5.01   12        2.4        0.0
   58   4   2   0 32.179  64.359   0.298    4.95   12       60.5       12.7
   59   4   2   1 32.427  64.854   0.3      4.86   24       39.8       10.9
   60   3   3   2 32.528  65.056   0.301    4.83   12       61.8       13.0
   61   3   2   5 32.594  65.188   0.301    4.81   24       10.8        0.8
   62   2   0   8 32.625  65.25    0.301    4.8    12       70.7       16.9
   63   4   2   2 33.165  66.33    0.306    4.64   24       27.8        5.0
   64   4   0   6 33.385  66.77    0.308    4.57   12       45.9        6.8
   65   4   1   5 33.86   67.721   0.311    4.44   24       33.5        7.0
   66   5   1   0 34.082  68.164   0.313    4.38   12       25.5        2.0
   67   5   0   4 34.19   68.381   0.314    4.35   12       10.8        0.4
   68   5   1   1 34.323  68.645   0.315    4.31   24      106.1       68.5
   69   4   2   3 34.377  68.753   0.316    4.3    24       31.0        5.8
   70   2   1   8 34.515  69.03    0.317    4.26   24       35.0        7.4
   71   3   1   7 34.647  69.293   0.318    4.23   24       34.0        6.9
   72   5   1   2 35.041  70.081   0.321    4.14   24       65.6       25.1
   73   3   2   6 35.255  70.51    0.323    4.08   24       42.7       10.5
   74   3   3   4 35.429  70.857   0.324    4.04   12      207.5      122.8
   75   3   0   8 35.748  71.497   0.327    3.97   12      132.6       49.3
   76   4   2   4 36.041  72.082   0.329    3.91   24       47.9       12.7
   77   5   1   3 36.223  72.446   0.33     3.87   24       50.6       14.0
   78   4   1   6 36.477  72.954   0.332    3.82   24        4.0        0.1
   79   6   0   0 37.148  74.296   0.338    3.69    6      155.6       31.5
   80   2   2   8 37.566  75.133   0.341    3.62   12      268.1      183.2
   81   4   3   0 37.749  75.499   0.342    3.59   12       51.5        6.7
   82   5   1   4 37.853  75.707   0.343    3.57   24       56.0       15.7
   83   4   3   1 37.98   75.961   0.344    3.55   24       43.7        9.5
   84   6   0   2 38.075  76.149   0.345    3.53   12      186.8       86.9
   85   4   2   5 38.136  76.272   0.345    3.52   24       60.5       18.1
   86   3   1   8 38.165  76.33    0.345    3.52   24       14.8        1.1
   87   3   2   7 38.292  76.584   0.346    3.5    24       19.9        1.9
   88   2   1   9 38.499  76.998   0.348    3.46   24       49.1       11.8
   89   4   3   2 38.671  77.342   0.349    3.44   24        8.7        0.4
   90   0   0  10 38.696  77.392   0.349    3.43    2       19.6        0.2
   91   5   0   6 38.877  77.755   0.351    3.41   12       10.0        0.2
   92   5   2   0 38.942  77.884   0.351    3.4    12      238.6      136.4
   93   5   2   1 39.171  78.342   0.353    3.37   24       83.3       32.9
   94   1   0  10 39.29   78.579   0.354    3.35   12       28.2        1.9
   95   4   1   7 39.48   78.959   0.355    3.32   24       66.4       20.6
   96   4   3   3 39.814  79.628   0.358    3.28   24       26.3        3.2
   97   5   2   2 39.855  79.711   0.358    3.27   24       20.9        2.0
   98   5   1   5 39.916  79.832   0.359    3.27   24       81.3       30.4
   99   4   0   8 39.945  79.89    0.359    3.26   12       27.7        1.8
  100   3   3   6 40.06   80.121   0.36     3.25   12       50.1        5.8
  101   1   1  10 40.469  80.938   0.363    3.2    12      101.1       23.0
  102   4   2   6 40.648  81.297   0.364    3.18   24       57.3       14.7
  103   6   0   4 40.814  81.629   0.365    3.16   12      183.4       74.9
  104   5   2   3 40.99   81.979   0.367    3.14   24       44.1        8.6
  105   2   0  10 41.056  82.112   0.367    3.13   12      102.5       23.2
  106   6   1   0 41.299  82.597   0.369    3.11   12       89.3       17.5
  107   4   3   4 41.4    82.8     0.37     3.1    24       34.7        5.3
  108   6   1   1 41.524  83.049   0.371    3.08   24        9.0        0.4
  109   3   2   8 41.705  83.41    0.372    3.07   24       88.6       33.9
  110   3   1   9 42.032  84.063   0.374    3.04   24      159.0      108.1
  111   6   1   2 42.2    84.4     0.375    3.02   24       18.5        1.5
  112   5   1   6 42.403  84.805   0.377    3.0    24       27.1        3.1
  113   5   2   4 42.568  85.135   0.378    2.99   24       25.8        2.8
  114   2   1  10 42.808  85.615   0.38     2.97   24       69.2       20.0
  115   4   1   8 42.871  85.742   0.38     2.96   24       69.2       20.0
  116   6   1   3 43.323  86.647   0.384    2.93   24        9.9        0.4
  117   4   3   5 43.424  86.849   0.384    2.92   24       63.0       16.4
  118   4   2   7 43.576  87.152   0.385    2.91   24        7.7        0.2
  119   3   0  10 43.97   87.94    0.388    2.89   12       25.6        1.3
  120   4   4   0 44.211  88.421   0.39     2.87    6       41.7        1.8
  121   5   2   5 44.586  89.172   0.392    2.85   24       26.5        2.8
  122   5   3   0 44.791  89.582   0.394    2.84   12        5.1        0.1
  123   7   0   0 44.791  89.582   0.394    2.84    6      153.5       23.6
  124   6   1   4 44.892  89.784   0.395    2.83   24       35.9        5.1


  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   0   5.776  11.553  8.88715      117.1     16.7     17.0     5.6
    2   0   0   2   7.183  14.366  7.1535       417.1     59.4     60.3     5.6
    3   1   0   2   9.237  18.473  5.57253      153.8     21.9     22.2     5.6
    4   1   1   0  10.039  20.079  5.131         19.7      2.8      2.8     5.6
    5   2   0   0  11.613  23.225  4.44358      287.8     41.0     41.4     5.6
    6   1   1   2  12.388  24.776  4.16937      399.8     56.9     57.4     5.6
    7   2   0   2  13.708  27.415  3.77462      342.2     48.7     49.0     5.6
    8   0   0   4  14.482  28.964  3.57675       76.7     10.9     11.0     5.6
    9   1   0   4  15.639  31.277  3.3181       224.2     31.9     32.0     5.6
   10   2   1   1  15.874  31.748  3.27011      667.1     94.9     95.3     5.6
   11   2   1   2  17.108  34.217  3.04051       91.1     13.0     13.0     5.7
   12   3   0   0  17.574  35.148  2.96238       92.1     13.1     13.1     5.7
   13   1   1   4  17.749  35.497  2.9342       702.7    100.0    100.0     5.7
   14   2   0   4  18.725  37.45   2.78627      283.5     40.3     40.3     5.7
   15   2   1   3  19.008  38.017  2.7462        93.2     13.3     13.2     5.7
   16   3   0   2  19.075  38.15   2.73698       14.6      2.1      2.1     5.7
   17   2   2   0  20.405  40.809  2.5655       372.8     53.0     52.8     5.7
   18   3   1   0  21.278  42.555  2.46485       15.2      2.2      2.1     5.7
   19   2   1   4  21.426  42.852  2.44855       35.7      5.1      5.0     5.7
   20   3   1   1  21.607  43.213  2.42907       52.9      7.5      7.5     5.7
   21   2   2   2  21.74   43.48   2.4149        75.7     10.8     10.7     5.7
   22   3   0   4  23.082  46.165  2.28148       86.8     12.4     12.2     5.7
   23   3   1   3  24.11   48.22   2.18968       80.5     11.5     11.3     5.7
   24   1   1   6  24.434  48.868  2.1624         8.8      1.3      1.2     5.7
   25   4   0   2  24.933  49.866  2.1218        57.3      8.1      8.0     5.7
   26   2   0   6  25.196  50.391  2.1011        14.6      2.1      2.0     5.8
   27   2   2   4  25.408  50.816  2.08469      137.1     19.5     19.2     5.8
   28   3   2   0  26.021  52.043  2.03885       56.5      8.0      7.9     5.8
   29   3   1   4  26.149  52.298  2.02959      190.0     27.0     26.6     5.8
   30   2   1   6  27.388  54.777  1.94439        9.4      1.3      1.3     5.8
   31   4   1   0  27.466  54.932  1.93934       93.3     13.3     13.0     5.8
   32   4   1   1  27.739  55.477  1.92176       83.4     11.9     11.6     5.8
   33   4   1   2  28.546  57.093  1.87177       50.1      7.1      7.0     5.8
   34   3   1   5  28.617  57.235  1.86751       99.9     14.2     13.9     5.8
   35   3   0   6  28.786  57.572  1.85751       40.3      5.7      5.6     5.8
   36   0   0   8  30.01   60.02   1.78837      122.2     17.4     16.9     5.8
   37   5   0   0  30.214  60.428  1.77743       41.0      5.8      5.7     5.8
   38   3   2   4  30.33   60.66   1.77129       10.2      1.5      1.4     5.8
   39   2   2   6  30.805  61.61   1.74658      203.0     28.9     28.0     5.8
   40   3   1   6  31.461  62.922  1.7138        10.0      1.4      1.4     5.9
   41   3   3   0  31.532  63.064  1.71033        9.1      1.3      1.3     5.9
   42   4   1   4  31.645  63.29   1.70486       78.9     11.2     10.8     5.9
   43   4   2   0  32.179  64.359  1.67951       12.7      1.8      1.8     5.9
   44   4   2   1  32.427  64.854  1.66806       10.9      1.5      1.5     5.9
   45   3   3   2  32.528  65.056  1.66345       13.0      1.9      1.8     5.9
   46   2   0   8  32.625  65.25   1.65905       16.9      2.4      2.3     5.9
   47   5   1   1  34.323  68.645  1.58634       68.5      9.7      9.3     5.9
   48   2   1   8  34.515  69.03   1.57858        7.4      1.0      1.0     5.9
   49   5   1   2  35.041  70.081  1.55787       25.1      3.6      3.4     5.9
   50   3   2   6  35.255  70.51   1.54962       10.5      1.5      1.4     5.9
   51   3   3   4  35.429  70.857  1.543        122.8     17.5     16.7     5.9
   52   3   0   8  35.748  71.497  1.53102       49.3      7.0      6.7     5.9
   53   4   2   4  36.041  72.082  1.52025       12.7      1.8      1.7     5.9
   54   5   1   3  36.223  72.446  1.51365       14.0      2.0      1.9     5.9
   55   6   0   0  37.148  74.296  1.48119       31.5      4.5      4.3     6.0
   56   2   2   8  37.566  75.133  1.4671       183.2     26.1     24.7     6.0
   57   5   1   4  37.853  75.707  1.45762       15.7      2.2      2.1     6.0
   58   4   3   1  37.98   75.961  1.45348        9.5      1.4      1.3     6.0
   59   6   0   2  38.075  76.149  1.45043       86.9     12.4     11.7     6.0
   60   4   2   5  38.136  76.272  1.44844       19.2      2.7      2.6     6.0
   61   2   1   9  38.499  76.998  1.43688       11.8      1.7      1.6     6.0
   62   5   2   0  38.942  77.884  1.42308      136.4     19.4     18.3     6.0
   63   5   2   1  39.171  78.342  1.4161        32.9      4.7      4.4     6.0
   64   4   1   7  39.48   78.959  1.40682       20.6      2.9      2.8     6.0
   65   5   1   5  39.916  79.832  1.39396       32.2      4.6      4.3     6.0
   66   1   1  10  40.469  80.938  1.37813       23.0      3.3      3.1     6.1
   67   4   2   6  40.648  81.297  1.3731        14.7      2.1      2.0     6.1
   68   6   0   4  40.814  81.629  1.36849       74.9     10.7      9.9     6.1
   69   5   2   3  40.99   81.979  1.36366        8.6      1.2      1.1     6.1
   70   2   0  10  41.056  82.112  1.36185       23.2      3.3      3.1     6.1
   71   6   1   0  41.299  82.597  1.35528       17.5      2.5      2.3     6.1
   72   3   2   8  41.705  83.41   1.34446       33.9      4.8      4.5     6.1
   73   3   1   9  42.032  84.063  1.33593      108.1     15.4     14.3     6.1
   74   2   1  10  42.808  85.615  1.31628       20.0      2.9      2.6     6.1
   75   4   1   8  42.871  85.742  1.31471       20.0      2.8      2.6     6.1
   76   4   3   5  43.424  86.849  1.30123       16.4      2.3      2.1     6.1
   77   7   0   0  44.791  89.582  1.26959       23.6      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)