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       ***
                  ***********************
JADEITE

8, t-diopside, syn, f-pyroxenes, sf-Ca-Na-pyroxenes, s-aegirine

Na(Al,Fe)Si(2)O(6)


Monoclinic  C 2/c  Z = 4

C2/c

13 .10 .8

Ref.Str.:

         Nestola F., Tribaudino M., Ballaran T.B., Liebske C., Bruno M. (2007)

         * Amer. Mineral., 92, 1492-1501

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   9.4781   alpha =   90.0 
             b =   8.618    beta  =  107.57
             c =   5.2449   gamma =   90.0 

    Unit cell volume (cub. angs.) =   408.43

    Molar volume ( cub.cm/mol.) =    61.5 

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

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

   1 0.0     0.3003  0.25     0.0    Na    = 1.00
   2 0.0     0.9037  0.25     0.0    Al    = 0.74, Fe    = 0.26
   3 0.2905  0.0923  0.2298   0.0    Si    = 1.00
   4 0.1103  0.0766  0.1303   0.0    O     = 1.00
   5 0.3603  0.2614  0.2952   0.0    O     = 1.00
   6 0.3532  0.0076  0.0075   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.3003     0.25  
     2       2     0.0        0.9037     0.25  
     3       3     0.2905     0.0923     0.2298
     4       4     0.1103     0.0766     0.1303
     5       5     0.3603     0.2614     0.2952
     6       6     0.3532     0.0076     0.0075
     7       1     0.0        0.6997     0.75  
     8       2     0.0        0.0963     0.75  
     9       3     0.7095     0.9077     0.7702
    10       4     0.8897     0.9234     0.8697
    11       5     0.6397     0.7386     0.7048
    12       6     0.6468     0.9924     0.9925
    13       3     0.2905     0.9077     0.7298
    14       4     0.1103     0.9234     0.6303
    15       5     0.3603     0.7386     0.7952
    16       6     0.3532     0.9924     0.5075
    17       3     0.7095     0.0923     0.2702
    18       4     0.8897     0.0766     0.3697
    19       5     0.6397     0.2614     0.2048
    20       6     0.6468     0.0076     0.4925
    21       1     0.5        0.1997     0.75  
    22       2     0.5        0.5963     0.75  
    23       3     0.7905     0.4077     0.7298
    24       4     0.6103     0.4234     0.6303
    25       5     0.8603     0.2386     0.7952
    26       6     0.8532     0.4924     0.5075
    27       1     0.5        0.8003     0.25  
    28       2     0.5        0.4037     0.25  
    29       3     0.2095     0.5923     0.2702
    30       4     0.3897     0.5766     0.3697
    31       5     0.1397     0.7614     0.2048
    32       6     0.1468     0.5076     0.4925
    33       3     0.7905     0.5923     0.2298
    34       4     0.6103     0.5766     0.1303
    35       5     0.8603     0.7614     0.2952
    36       6     0.8532     0.5076     0.0075
    37       3     0.2095     0.4077     0.7702
    38       4     0.3897     0.4234     0.8697
    39       5     0.1397     0.2386     0.7048
    40       6     0.1468     0.4924     0.9925


X-ray density (g/cm cub.)   =      3.41

MU (1/cm) =     173.02     Mass attenuation coefficient (cm**2/g) =     50.765

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

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

    1    Na                  2.808        8
                                                 2.3662       4
                                                 2.3662       4
                                                 2.4123       5
                                                 2.7633       6
                                                 2.3822       6
                                                 2.3822       6
                                                 2.4123       5
                                                 2.7633       6
    2   Al   ,Fe             2.592        6
                                                 2.0261       4
                                                 1.96         4
                                                 1.96         4
                                                 2.0261       4
                                                 1.8717       5
                                                 1.8717       5
    3    Si                  2.1          4
                                                 1.6342       4
                                                 1.594        5
                                                 1.6322       6
                                                 1.641        6
    4    O                   3.264       11
                                                 2.7676       5
                                                 2.6393       6
                                                 2.5021       4
                                                 2.9363       4
                                                 2.9363       4
                                                 2.6441       6
                                                 2.745        4
                                                 2.8529       5
                                                 2.7469       5
                                                 3.2556       5
                                                 2.717        5
    5    O                   3.264       10
                                                 2.7676       4
                                                 2.6469       6
                                                 2.5809       6
                                                 2.8279       5
                                                 2.8529       4
                                                 2.7469       4
                                                 3.2556       4
                                                 2.717        4
                                                 3.1764       5
                                                 2.9397       6
    6    O                   3.264        9
                                                 2.6393       4
                                                 2.6469       5
                                                 2.8098       6
                                                 2.6441       4
                                                 2.5809       5
                                                 2.6257       6
                                                 2.6257       6
                                                 3.1524       6
                                                 2.9397       5

  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   1   0  7.095  14.19    0.08   128.14    4       22.0      148.2
    2   2   0   0  9.816  19.633   0.111   65.89    2        4.8        1.8
    3   1   1  -1 10.15   20.301   0.114   61.48    4       35.9      190.4
    4   0   2   0 10.298  20.595   0.116   59.68    2       59.2      250.6
    5   1   1   1 12.509  25.019   0.141   39.76    4       18.6       33.0
    6   0   2   1 13.649  27.299   0.153   33.07    4       34.0       91.5
    7   2   2   0 14.302  28.603   0.16    29.95    4       40.3      116.4
    8   2   2  -1 15.217  30.435   0.17    26.22    4      144.1     1306.4
    9   3   1  -1 15.712  31.425   0.176   24.48    4       66.0      255.6
   10   3   1   0 15.718  31.437   0.176   24.46    4       99.2      577.5
   11   1   3   0 16.342  32.683   0.183   22.49    4       10.5        5.9
   12   2   0  -2 17.684  35.369   0.197   18.94    2       35.1       28.0
   13   1   1  -2 17.886  35.772   0.199   18.47    4        3.2        0.5
   14   0   0   2 17.945  35.889   0.2     18.34    2      154.4      524.2
   15   1   3  -1 17.949  35.898   0.2     18.33    4       77.1      261.0
   16   2   2   1 18.493  36.986   0.206   17.17    4      105.9      462.0
   17   1   3   1 19.445  38.89    0.216   15.37    4        8.7        2.8
   18   4   0   0 19.937  39.874   0.221   14.54    2        2.9        0.2
   19   3   1  -2 20.334  40.667   0.226   13.91    4        4.5        0.7
   20   3   1   1 20.348  40.696   0.226   13.89    4       64.6      139.1
   21   2   2  -2 20.638  41.277   0.229   13.46    4       11.9        4.5
   22   1   1   2 20.795  41.589   0.23    13.23    4       83.0      218.8
   23   0   2   2 20.867  41.734   0.231   13.13    4       54.7       94.2
   24   0   4   0 20.948  41.896   0.232   13.02    2        9.7        1.5
   25   3   3  -1 21.745  43.489   0.24    11.97    4       82.5      195.4
   26   3   3   0 21.749  43.498   0.241   11.97    4       48.2       66.6
   27   4   2  -1 21.993  43.986   0.243   11.67    4       59.9      100.4
   28   4   0  -2 22.607  45.214   0.25    10.97    2       87.9      101.7
   29   4   2   0 22.644  45.288   0.25    10.93    4       12.3        3.9
   30   0   4   1 22.911  45.822   0.253   10.64    4       90.7      209.8
   31   2   0   2 23.241  46.482   0.256   10.3     2       62.9       48.8
   32   2   4   0 23.334  46.668   0.257   10.21    4        0.6        0.0
   33   1   3  -2 23.44   46.88    0.258   10.11    4       36.2       31.8
   34   2   4  -1 23.948  47.896   0.263    9.63    4       58.3       78.5
   35   5   1  -1 24.635  49.27    0.271    9.03    4       38.8       32.5
   36   4   2  -2 25.083  50.167   0.275    8.66    4       40.1       33.5
   37   3   3  -2 25.45   50.899   0.279    8.38    4       26.5       14.1
   38   3   3   1 25.462  50.923   0.279    8.37    4       30.3       18.4
   39   2   2   2 25.671  51.342   0.281    8.22    4       22.7       10.1
   40   5   1   0 25.817  51.634   0.283    8.11    4       57.3       63.9
   41   1   3   2 25.838  51.676   0.283    8.1     4       33.0       21.1
   42   2   4   1 26.312  52.624   0.288    7.77    4       25.9       12.5
   43   4   2   1 26.827  53.654   0.293    7.43    4       21.2        8.0
   44   1   1  -3 26.925  53.85    0.294    7.37    4       27.0       12.9
   45   5   1  -2 26.943  53.886   0.294    7.36    4       24.7       10.8
   46   1   5   0 27.062  54.125   0.295    7.29    4       83.3      121.4
   47   3   1  -3 27.668  55.336   0.301    6.93    4       63.3       66.7
   48   3   1   2 27.687  55.373   0.302    6.92    4       46.0       35.2
   49   2   4  -2 27.979  55.958   0.305    6.76    4       12.7        2.6
   50   0   4   2 28.162  56.323   0.306    6.66    4       72.2       83.2
   51   1   5  -1 28.165  56.329   0.306    6.66    4       26.5       11.2
   52   2   2  -3 28.456  56.912   0.309    6.5     4      114.0      202.8
   53   4   4  -1 29.072  58.144   0.315    6.2     4       17.7        4.7
   54   5   3  -1 29.177  58.354   0.316    6.15    4      130.0      248.9
   55   1   5   1 29.243  58.486   0.317    6.11    4        4.5        0.3
   56   4   4   0 29.608  59.215   0.321    5.95    4       88.4      111.4
   57   0   2   3 29.704  59.408   0.322    5.9     4       15.4        3.3
   58   1   1   3 30.173  60.346   0.326    5.7     4       23.5        7.5
   59   5   1   1 30.2    60.401   0.327    5.69    4       26.4        9.5
   60   5   3   0 30.236  60.472   0.327    5.67    4       24.3        8.0
   61   6   0  -2 30.748  61.496   0.332    5.47    2      105.7       73.3
   62   6   0   0 30.762  61.525   0.332    5.46    2       83.5       45.7
   63   3   5  -1 30.987  61.975   0.334    5.37    4       13.4        2.3
   64   3   5   0 30.991  61.982   0.334    5.37    4       79.0       80.3
   65   4   2  -3 31.091  62.182   0.335    5.33    4       30.0       11.5
   66   1   3  -3 31.239  62.479   0.337    5.28    4      119.4      180.5
   67   5   3  -2 31.256  62.511   0.337    5.27    4       22.0        6.1
   68   6   2  -1 31.289  62.577   0.337    5.26    4       45.8       26.5
   69   4   0   2 31.604  63.208   0.34     5.14    2      116.2       83.3
   70   4   4  -2 31.666  63.332   0.341    5.12    4       22.7        6.3
   71   3   3  -3 31.918  63.836   0.343    5.03    4       29.8       10.7
   72   3   3   2 31.935  63.87    0.343    5.03    4       13.1        2.1
   73   2   4   2 32.173  64.345   0.346    4.95    4       27.3        8.8
   74   5   1  -3 32.223  64.446   0.346    4.93    4       36.6       15.8
   75   1   5  -2 32.333  64.666   0.347    4.89    4        3.7        0.2
   76   0   6   0 32.431  64.862   0.348    4.86    2      111.1       71.9
   77   6   2  -2 32.794  65.588   0.352    4.75    4       36.2       14.9
   78   6   2   0 32.807  65.615   0.352    4.74    4       10.9        1.4
   79   4   4   1 33.182  66.364   0.355    4.63    4       11.9        1.6
   80   4   2   2 33.621  67.242   0.359    4.5     4       67.1       48.7
   81   0   6   1 33.915  67.831   0.362    4.42    4       32.4       11.1
   82   3   5  -2 33.986  67.973   0.363    4.4     4      128.9      175.4
   83   3   5   1 33.996  67.993   0.363    4.4     4       29.4        9.1
   84   1   3   3 34.237  68.473   0.365    4.34    4       17.5        3.2
   85   2   6   0 34.245  68.49    0.365    4.33    4       20.1        4.2
   86   5   3   1 34.262  68.524   0.365    4.33    4      148.5      229.0
   87   1   5   2 34.313  68.626   0.366    4.32    4       47.1       22.9
   88   2   2   3 34.583  69.167   0.368    4.25    4       90.1       82.6
   89   2   4  -3 34.628  69.255   0.369    4.24    4       62.4       39.6
   90   2   6  -1 34.728  69.456   0.37     4.21    4       19.2        3.7
   91   7   1  -1 35.202  70.403   0.374    4.1     4       17.6        3.0
   92   0   4   3 35.753  71.507   0.379    3.97    4       29.6        8.4
   93   2   0  -4 35.991  71.982   0.381    3.92    2       18.2        1.6
   94   7   1  -2 36.151  72.301   0.383    3.89    4      116.3      126.0
   95   5   3  -3 36.165  72.329   0.383    3.88    4       76.9       55.1
   96   2   6   1 36.646  73.292   0.387    3.79    4       10.3        1.0
   97   3   1  -4 36.747  73.495   0.388    3.77    4      101.4       92.9
   98   3   1   3 36.77   73.54    0.389    3.76    4       30.8        8.6
   99   4   4  -3 37.021  74.042   0.391    3.72    4       14.5        1.9
  100   1   1  -4 37.063  74.126   0.391    3.71    4       44.4       17.5
  101   5   1   2 37.101  74.201   0.392    3.7     4       36.5       11.8
  102   7   1   0 37.112  74.225   0.392    3.7     4       50.8       22.9
  103   6   2  -3 37.134  74.268   0.392    3.69    4        9.1        0.7
  104   6   2   1 37.16   74.32    0.392    3.69    4       74.1       48.6
  105   5   5  -1 37.197  74.393   0.392    3.68    4       19.6        3.4
  106   6   4  -1 37.203  74.406   0.392    3.68    4        9.6        0.8
  107   4   0  -4 37.412  74.825   0.394    3.64    2       61.4       16.5
  108   2   2  -4 37.897  75.794   0.399    3.56    4       10.4        0.9
  109   0   0   4 38.039  76.078   0.4      3.54    2      118.7       59.7
  110   2   6  -2 38.049  76.099   0.4      3.54    4       64.5       35.2
  111   5   5   0 38.139  76.278   0.401    3.52    4       16.2        2.2
  112   0   6   2 38.206  76.411   0.401    3.51    4      120.7      122.7
  113   6   4  -2 38.599  77.199   0.405    3.45    4       31.8        8.4
  114   6   4   0 38.612  77.224   0.405    3.45    4       17.0        2.4
  115   4   6  -1 38.991  77.982   0.408    3.39    4       14.6        1.7
  116   7   3  -1 39.01   78.02    0.409    3.39    4       50.4       20.7
  117   1   5  -3 39.043  78.087   0.409    3.38    4       19.7        3.2
  118   5   5  -2 39.058  78.116   0.409    3.38    4        0.6        0.0
  119   1   7   0 39.157  78.313   0.41     3.37    4       27.5        6.1
  120   4   2  -4 39.294  78.588   0.411    3.35    4        9.0        0.6
  121   4   4   2 39.374  78.749   0.412    3.34    4       51.1       20.9
  122   4   6   0 39.458  78.915   0.413    3.33    4       29.4        6.9
  123   3   5  -3 39.661  79.321   0.414    3.3     4       25.0        4.9
  124   3   5   2 39.676  79.353   0.414    3.3     4      121.3      116.3
  125   5   1  -4 39.861  79.723   0.416    3.27    4        7.8        0.5
  126   7   1  -3 39.882  79.764   0.416    3.27    4       18.4        2.6
  127   0   2   4 39.911  79.823   0.416    3.27    4       14.5        1.6
  128   7   3  -2 39.926  79.852   0.417    3.26    4       21.5        3.6
  129   1   7  -1 40.078  80.157   0.418    3.24    4       60.6       28.6
  130   2   4   3 40.283  80.566   0.42     3.22    4       21.1        3.4
  131   3   3  -4 40.504  81.009   0.422    3.19    4       27.5        5.8
  132   3   3   3 40.526  81.053   0.422    3.19    4        6.6        0.3
  133   1   1   4 40.783  81.566   0.424    3.16    4        3.1        0.1
  134   1   3  -4 40.811  81.622   0.424    3.16    4        5.6        0.2
  135   5   3   2 40.848  81.695   0.425    3.15    4       15.9        1.9
  136   7   3   0 40.859  81.718   0.425    3.15    4       27.0        5.5
  137   1   7   1 40.998  81.996   0.426    3.14    4       64.4       31.3
  138   8   0  -2 41.158  82.317   0.427    3.12    2       29.2        3.2
  139   4   6  -2 41.286  82.573   0.428    3.11    4        1.1        0.0
  140   7   1   1 41.744  83.488   0.432    3.06    4        6.5        0.3
  141   2   6   2 41.745  83.489   0.432    3.06    4        5.2        0.2
  142   1   5   3 41.805  83.61    0.433    3.06    4       26.7        5.2
  143   5   5   1 41.829  83.658   0.433    3.05    4       23.2        4.0
  144   6   0  -4 42.19   84.379   0.436    3.02    2      133.1       64.1
  145   6   0   2 42.227  84.454   0.436    3.02    2        1.2        0.0
  146   3   7  -1 42.522  85.044   0.439    2.99    4       11.1        0.9
  147   3   7   0 42.525  85.05    0.439    2.99    4       17.2        2.1
  148   4   2   3 42.53   85.06    0.439    2.99    4       17.7        2.3
  149   8   2  -1 42.553  85.106   0.439    2.99    4       52.5       19.8
  150   4   6   1 42.666  85.333   0.44     2.98    4        6.6        0.3
  151   6   4  -3 42.723  85.446   0.44     2.98    4       41.3       12.1
  152   6   4   1 42.748  85.496   0.441    2.97    4       23.7        4.0
  153   8   0   0 42.998  85.996   0.443    2.95    2       68.7       16.7
  154   8   2  -2 42.999  85.999   0.443    2.95    4       24.9        4.4
  155   2   0   4 43.406  86.812   0.446    2.92    2        9.9        0.3
  156   2   4  -4 43.461  86.923   0.447    2.92    4       24.6        4.2
  157   5   3  -4 43.55   87.1     0.447    2.91    4       15.5        1.7
  158   7   3  -3 43.571  87.141   0.447    2.91    4       35.2        8.7
  159   5   5  -3 43.627  87.254   0.448    2.91    4       20.2        2.8
  160   1   7  -2 43.727  87.454   0.449    2.9     4       40.0       11.1
  161   2   6  -3 44.007  88.014   0.451    2.88    4        4.9        0.2
  162   6   2  -4 44.025  88.049   0.451    2.88    4        9.7        0.6
  163   6   2   2 44.062  88.124   0.451    2.88    4       36.2        9.1
  164   1   3   4 44.46   88.92    0.455    2.86    4       15.6        1.7
  165   4   4  -4 44.824  89.649   0.458    2.84    4       41.8       11.9
  166   8   2   0 44.83   89.661   0.458    2.84    4       11.8        0.9


  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   1   0   7.095  14.19   6.23636      148.2     11.3     11.5     5.6
    2   1   1  -1  10.15   20.301  4.37077      190.4     14.6     14.7     5.6
    3   0   2   0  10.298  20.595  4.309        250.6     19.2     19.3     5.6
    4   1   1   1  12.509  25.019  3.55624       33.0      2.5      2.5     5.6
    5   0   2   1  13.649  27.299  3.26417       91.5      7.0      7.0     5.6
    6   2   2   0  14.302  28.603  3.11818      116.4      8.9      8.9     5.6
    7   2   2  -1  15.217  30.435  2.93459     1306.4    100.0    100.0     5.6
    8   3   1   0  15.718  31.437  2.84333      833.1     63.8     63.7     5.6
    9   2   0  -2  17.684  35.369  2.5357        28.0      2.1      2.1     5.7
   10   0   0   2  17.945  35.889  2.50011      785.2     60.1     59.8     5.7
   11   2   2   1  18.493  36.986  2.42843      462.0     35.4     35.2     5.7
   12   3   1   1  20.348  40.696  2.21525      139.1     10.6     10.5     5.7
   13   1   1   2  20.795  41.589  2.1697       218.8     16.8     16.6     5.7
   14   0   2   2  20.867  41.734  2.16248       94.2      7.2      7.1     5.7
   15   3   3  -1  21.745  43.489  2.0792       262.0     20.1     19.8     5.7
   16   4   2  -1  21.993  43.986  2.05687      100.4      7.7      7.6     5.7
   17   4   0  -2  22.607  45.214  2.00382      101.7      7.8      7.7     5.7
   18   0   4   1  22.911  45.822  1.97864      209.8     16.1     15.8     5.7
   19   2   0   2  23.241  46.482  1.95207       48.8      3.7      3.7     5.7
   20   1   3  -2  23.44   46.88   1.93641       31.8      2.4      2.4     5.7
   21   2   4  -1  23.948  47.896  1.89766       78.5      6.0      5.9     5.7
   22   5   1  -1  24.635  49.27   1.84793       32.5      2.5      2.4     5.7
   23   4   2  -2  25.083  50.167  1.81696       33.5      2.6      2.5     5.7
   24   3   3   1  25.462  50.923  1.79174       32.5      2.5      2.4     5.8
   25   5   1   0  25.817  51.634  1.76872       85.0      6.5      6.4     5.8
   26   1   1  -3  26.925  53.85   1.70105       23.7      1.8      1.8     5.8
   27   1   5   0  27.062  54.125  1.69307      121.4      9.3      9.1     5.8
   28   3   1  -3  27.668  55.336  1.65885      101.9      7.8      7.6     5.8
   29   0   4   2  28.162  56.323  1.63209       94.4      7.2      7.0     5.8
   30   2   2  -3  28.456  56.912  1.61661      202.8     15.5     15.1     5.8
   31   5   3  -1  29.177  58.354  1.58004      248.9     19.1     18.5     5.8
   32   4   4   0  29.608  59.215  1.55909      111.4      8.5      8.3     5.8
   33   5   1   1  30.2    60.401  1.53129       17.0      1.3      1.3     5.8
   34   6   0  -2  30.748  61.496  1.50661      118.9      9.1      8.8     5.8
   35   3   5   0  30.991  61.982  1.49598       82.6      6.3      6.1     5.8
   36   1   3  -3  31.239  62.479  1.48526      186.6     14.3     13.8     5.8
   37   6   2  -1  31.289  62.577  1.48316       26.5      2.0      2.0     5.8
   38   4   0   2  31.604  63.208  1.46987       83.3      6.4      6.1     5.9
   39   5   1  -3  32.223  64.446  1.4446        15.8      1.2      1.2     5.9
   40   0   6   0  32.431  64.862  1.43633       71.9      5.5      5.3     5.9
   41   6   2  -2  32.794  65.588  1.42219       16.2      1.2      1.2     5.9
   42   4   2   2  33.621  67.242  1.39116       48.7      3.7      3.6     5.9
   43   3   5  -2  33.986  67.973  1.37797      184.5     14.1     13.5     5.9
   44   5   3   1  34.262  68.524  1.36822      236.4     18.1     17.3     5.9
   45   1   5   2  34.313  68.626  1.36645       22.9      1.8      1.7     5.9
   46   2   2   3  34.583  69.167  1.35707       82.6      6.3      6.0     5.9
   47   2   4  -3  34.628  69.255  1.35555       39.6      3.0      2.9     5.9
   48   7   1  -2  36.151  72.301  1.30576      181.2     13.9     13.1     5.9
   49   3   1  -4  36.747  73.495  1.28747      101.5      7.8      7.3     6.0
   50   1   1  -4  37.063  74.126  1.27806       17.5      1.3      1.3     6.0
   51   7   1   0  37.112  74.225  1.27661       34.7      2.7      2.5     6.0
   52   6   2   1  37.16   74.32   1.27521       48.6      3.7      3.5     6.0
   53   4   0  -4  37.412  74.825  1.26785       16.5      1.3      1.2     6.0
   54   0   0   4  38.039  76.078  1.25005       95.0      7.3      6.8     6.0
   55   0   6   2  38.206  76.411  1.24543      122.7      9.4      8.8     6.0
   56   7   3  -1  39.01   78.02   1.22373       22.4      1.7      1.6     6.0
   57   4   4   2  39.374  78.749  1.21422       20.9      1.6      1.5     6.0
   58   3   5   2  39.676  79.353  1.20648      121.3      9.3      8.7     6.0
   59   1   7  -1  40.078  80.157  1.19639       28.6      2.2      2.0     6.0
   60   1   7   1  40.998  81.996  1.17415       31.3      2.4      2.2     6.1
   61   6   0  -4  42.19   84.379  1.14696       64.1      4.9      4.5     6.1
   62   8   2  -1  42.553  85.106  1.13901       24.2      1.8      1.7     6.1
   63   6   4  -3  42.723  85.446  1.13535       16.1      1.2      1.1     6.1
   64   8   0   0  42.998  85.996  1.12949       21.1      1.6      1.5     6.1

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)