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

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

NaAlSi(2)O(6)


Monoclinic  C 2/c  Z = 4

C2/c

17 .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 =   9.4278   alpha =   90.0 
             b =   8.5651   beta  =  107.62
             c =   5.2262   gamma =   90.0 

    Unit cell volume (cub. angs.) =   402.21

    Molar volume ( cub.cm/mol.) =    60.57

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

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

   1 0.0     0.3002  0.25     0.0    Na    = 1.00
   2 0.0     0.906   0.25     0.0    Al    = 1.00
   3 0.2907  0.0934  0.2282   0.0    Si    = 1.00
   4 0.1092  0.076   0.1284   0.0    O     = 1.00
   5 0.361   0.2634  0.2935   0.0    O     = 1.00
   6 0.3536  0.0071  0.0067   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.3002     0.25  
     2       2     0.0        0.906      0.25  
     3       3     0.2907     0.0934     0.2282
     4       4     0.1092     0.076      0.1284
     5       5     0.361      0.2634     0.2935
     6       6     0.3536     0.0071     0.0067
     7       1     0.0        0.6998     0.75  
     8       2     0.0        0.094      0.75  
     9       3     0.7093     0.9066     0.7718
    10       4     0.8908     0.924      0.8716
    11       5     0.639      0.7366     0.7065
    12       6     0.6464     0.9929     0.9933
    13       3     0.2907     0.9066     0.7282
    14       4     0.1092     0.924      0.6284
    15       5     0.361      0.7366     0.7935
    16       6     0.3536     0.9929     0.5067
    17       3     0.7093     0.0934     0.2718
    18       4     0.8908     0.076      0.3716
    19       5     0.639      0.2634     0.2065
    20       6     0.6464     0.0071     0.4933
    21       1     0.5        0.1998     0.75  
    22       2     0.5        0.594      0.75  
    23       3     0.7907     0.4066     0.7282
    24       4     0.6092     0.424      0.6284
    25       5     0.861      0.2366     0.7935
    26       6     0.8536     0.4929     0.5067
    27       1     0.5        0.8002     0.25  
    28       2     0.5        0.406      0.25  
    29       3     0.2093     0.5934     0.2718
    30       4     0.3908     0.576      0.3716
    31       5     0.139      0.7634     0.2065
    32       6     0.1464     0.5071     0.4933
    33       3     0.7907     0.5934     0.2282
    34       4     0.6092     0.576      0.1284
    35       5     0.861      0.7634     0.2935
    36       6     0.8536     0.5071     0.0067
    37       3     0.2093     0.4066     0.7718
    38       4     0.3908     0.424      0.8716
    39       5     0.139      0.2366     0.7065
    40       6     0.1464     0.4929     0.9933


X-ray density (g/cm cub.)   =      3.34

MU (1/cm) =     107.493    Mass attenuation coefficient (cm**2/g) =     32.212

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

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

    1    Na                  2.808        8
                                                 2.3553       4
                                                 2.3553       4
                                                 2.411        5
                                                 2.7478       6
                                                 2.3663       6
                                                 2.3663       6
                                                 2.411        5
                                                 2.7478       6
    2    Al                  2.316        6
                                                 1.9948       4
                                                 1.9395       4
                                                 1.9395       4
                                                 1.9948       4
                                                 1.8553       5
                                                 1.8553       5
    3    Si                  2.1          4
                                                 1.6378       4
                                                 1.5932       5
                                                 1.6291       6
                                                 1.6396       6
    4    O                   3.264       11
                                                 2.7778       5
                                                 2.6362       6
                                                 2.4622       4
                                                 2.9195       4
                                                 2.9195       4
                                                 2.6393       6
                                                 2.7276       4
                                                 2.8198       5
                                                 2.7101       5
                                                 3.2535       5
                                                 2.6848       5
    5    O                   3.264       10
                                                 2.7778       4
                                                 2.6471       6
                                                 2.5809       6
                                                 2.7924       5
                                                 2.8198       4
                                                 2.7101       4
                                                 3.2535       4
                                                 2.6848       4
                                                 3.1554       5
                                                 2.9149       6
    6    O                   3.264        9
                                                 2.6362       4
                                                 2.6471       5
                                                 2.7851       6
                                                 2.6393       4
                                                 2.5809       5
                                                 2.6159       6
                                                 2.6159       6
                                                 3.1363       6
                                                 2.9149       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  7.137  14.274   0.081  126.6     4       13.4       56.2
    2   2   0   0  9.872  19.745   0.111   65.12    2       14.6       17.1
    3   1   1  -1 10.194  20.389   0.115   60.93    4       30.4      139.0
    4   0   2   0 10.362  20.724   0.117   58.91    2       55.7      225.6
    5   1   1   1 12.572  25.144   0.141   39.34    4       11.5       12.9
    6   0   2   1 13.722  27.443   0.154   32.7     4       43.0      149.6
    7   2   2   0 14.388  28.776   0.161   29.56    4       41.7      127.0
    8   2   2  -1 15.298  30.595   0.171   25.93    4      133.1     1135.2
    9   3   1  -1 15.792  31.584   0.177   24.21    4       72.9      318.5
   10   3   1   0 15.81   31.62    0.177   24.15    4       90.9      493.3
   11   1   3   0 16.445  32.889   0.184   22.18    4        6.7        2.4
   12   2   0  -2 17.75   35.501   0.198   18.78    2       43.5       44.0
   13   1   1  -2 17.956  35.913   0.2     18.32    4       12.0        6.6
   14   0   0   2 18.017  36.033   0.201   18.18    2      143.2      461.1
   15   1   3  -1 18.052  36.104   0.201   18.1     4       67.8      205.9
   16   2   2   1 18.598  37.197   0.207   16.95    4       96.2      388.1
   17   1   3   1 19.56   39.119   0.217   15.17    4       17.3       11.3
   18   4   0   0 20.054  40.108   0.223   14.35    2        6.7        0.8
   19   3   1  -2 20.419  40.839   0.226   13.78    4        2.7        0.3
   20   3   1   1 20.464  40.927   0.227   13.72    4       70.7      169.5
   21   2   2  -2 20.731  41.461   0.23    13.33    4       15.0        7.4
   22   1   1   2 20.891  41.782   0.231   13.1     4       76.1      187.5
   23   0   2   2 20.965  41.929   0.232   13.0     4       58.8      111.1
   24   0   4   0 21.084  42.167   0.234   12.83    2        2.8        0.1
   25   3   3  -1 21.871  43.741   0.242   11.82    4       72.6      153.9
   26   3   3   0 21.884  43.769   0.242   11.8     4       51.6       77.7
   27   4   2  -1 22.116  44.232   0.244   11.53    4       50.5       72.7
   28   4   0  -2 22.708  45.416   0.251   10.86    2       76.3       78.1
   29   4   2   0 22.781  45.563   0.251   10.78    4       15.1        6.0
   30   0   4   1 23.052  46.103   0.254   10.5     4       94.9      233.6
   31   2   0   2 23.356  46.712   0.257   10.19    2       53.1       35.5
   32   2   4   0 23.484  46.969   0.259   10.06    4       10.3        2.6
   33   1   3  -2 23.558  47.117   0.259    9.99    4       40.3       40.2
   34   2   4  -1 24.094  48.189   0.265    9.49    4       53.5       67.2
   35   5   1  -1 24.774  49.547   0.272    8.91    4       33.1       24.2
   36   4   2  -2 25.207  50.413   0.276    8.57    4       38.3       31.1
   37   3   3  -2 25.58   51.16    0.28     8.29    4       23.3       11.1
   38   3   3   1 25.617  51.234   0.281    8.26    4       21.7        9.6
   39   2   2   2 25.807  51.614   0.283    8.12    4       23.2       10.8
   40   5   1   0 25.974  51.948   0.284    8.0     4       63.6       80.0
   41   1   3   2 25.977  51.955   0.284    8.0     4       34.8       24.0
   42   2   4   1 26.477  52.954   0.289    7.66    4       19.8        7.4
   43   4   2   1 26.99   53.98    0.295    7.33    4       10.9        2.2
   44   1   1  -3 27.034  54.069   0.295    7.31    4       24.4       10.8
   45   5   1  -2 27.077  54.154   0.295    7.28    4       31.8       18.2
   46   1   5   0 27.243  54.485   0.297    7.18    4       73.1       94.9
   47   3   1  -3 27.779  55.559   0.303    6.87    4       69.6       82.2
   48   3   1   2 27.838  55.675   0.303    6.84    4       39.3       26.2
   49   2   4  -2 28.134  56.269   0.306    6.67    4       20.3        6.8
   50   0   4   2 28.321  56.642   0.308    6.57    4       65.8       70.4
   51   1   5  -1 28.346  56.692   0.308    6.56    4       26.8       11.7
   52   2   2  -3 28.578  57.156   0.311    6.44    4      103.8      171.6
   53   4   4  -1 29.253  58.506   0.317    6.11    4       16.6        4.2
   54   5   3  -1 29.354  58.707   0.318    6.06    4      124.4      232.0
   55   1   5   1 29.434  58.867   0.319    6.03    4        4.6        0.3
   56   4   4   0 29.8    59.601   0.323    5.86    4       82.1       97.7
   57   0   2   3 29.84   59.681   0.323    5.84    4        9.5        1.3
   58   1   1   3 30.314  60.628   0.328    5.64    4       18.2        4.6
   59   5   1   1 30.387  60.774   0.328    5.61    4       21.4        6.3
   60   5   3   0 30.429  60.859   0.329    5.59    4       29.0       11.7
   61   6   0  -2 30.911  61.822   0.333    5.4     2       99.3       65.8
   62   6   0   0 30.955  61.909   0.334    5.38    2       74.4       36.8
   63   3   5  -1 31.188  62.376   0.336    5.3     4        9.3        1.1
   64   3   5   0 31.199  62.398   0.336    5.29    4       73.8       71.3
   65   4   2  -3 31.232  62.463   0.337    5.28    4       24.3        7.7
   66   1   3  -3 31.39   62.78    0.338    5.22    4      113.2      165.4
   67   5   3  -2 31.429  62.858   0.338    5.21    4       25.8        8.5
   68   6   2  -1 31.478  62.956   0.339    5.19    4       38.8       19.3
   69   4   0   2 31.786  63.573   0.342    5.08    2      110.9       77.2
   70   4   4  -2 31.848  63.696   0.343    5.06    4       15.8        3.1
   71   3   3  -3 32.071  64.141   0.345    4.98    4       22.2        6.1
   72   3   3   2 32.124  64.248   0.345    4.96    4        9.7        1.2
   73   2   4   2 32.366  64.732   0.347    4.88    4       35.3       15.0
   74   5   1  -3 32.37   64.74    0.348    4.88    4       31.0       11.6
   75   1   5  -2 32.529  65.058   0.349    4.83    4        5.7        0.4
   76   0   6   0 32.656  65.312   0.35     4.79    2      103.6       63.6
   77   6   2  -2 32.976  65.952   0.353    4.69    4       36.0       15.1
   78   6   2   0 33.018  66.036   0.354    4.68    4       12.5        1.8
   79   4   4   1 33.399  66.799   0.357    4.57    4       13.9        2.2
   80   4   2   2 33.822  67.644   0.361    4.45    4       65.7       47.4
   81   0   6   1 34.147  68.294   0.364    4.36    4       41.6       18.7
   82   3   5  -2 34.194  68.387   0.365    4.35    4      124.6      166.8
   83   3   5   1 34.225  68.449   0.365    4.34    4       26.7        7.6
   84   1   3   3 34.417  68.834   0.367    4.29    4       11.0        1.3
   85   2   6   0 34.484  68.968   0.368    4.27    4       23.2        5.7
   86   5   3   1 34.485  68.97    0.368    4.27    4      140.8      209.5
   87   1   5   2 34.527  69.055   0.368    4.26    4       39.1       16.1
   88   2   2   3 34.766  69.532   0.37     4.2     4       85.3       75.6
   89   2   4  -3 34.81   69.62    0.371    4.19    4       57.9       34.7
   90   2   6  -1 34.965  69.93    0.372    4.15    4       15.3        2.4
   91   7   1  -1 35.421  70.842   0.376    4.05    4       21.3        4.5
   92   0   4   3 35.949  71.898   0.381    3.93    4       31.3        9.5
   93   2   0  -4 36.14   72.281   0.383    3.89    2       20.5        2.0
   94   5   3  -3 36.352  72.703   0.385    3.85    4       71.7       48.9
   95   7   1  -2 36.359  72.718   0.385    3.84    4      110.6      116.4
   96   2   6   1 36.902  73.803   0.39     3.74    4        8.1        0.6
   97   3   1  -4 36.902  73.805   0.39     3.74    4       96.8       86.6
   98   3   1   3 36.973  73.945   0.39     3.73    4       34.1       10.7
   99   4   4  -3 37.221  74.442   0.393    3.68    4       14.8        2.0
  100   1   1  -4 37.226  74.452   0.393    3.68    4       50.4       23.1
  101   6   2  -3 37.326  74.652   0.394    3.66    4        1.8        0.0
  102   5   1   2 37.332  74.663   0.394    3.66    4       39.7       14.3
  103   7   1   0 37.358  74.715   0.394    3.65    4       44.8       18.1
  104   6   2   1 37.406  74.811   0.394    3.65    4       68.3       42.0
  105   5   5  -1 37.447  74.894   0.395    3.64    4       19.0        3.2
  106   6   4  -1 37.448  74.897   0.395    3.64    4       13.1        1.5
  107   4   0  -4 37.571  75.142   0.396    3.62    2       50.8       11.5
  108   2   2  -4 38.067  76.134   0.4      3.53    4       10.0        0.9
  109   0   0   4 38.213  76.426   0.402    3.51    2      112.1       54.5
  110   2   6  -2 38.299  76.598   0.402    3.5     4       65.4       37.0
  111   5   5   0 38.406  76.812   0.403    3.48    4       22.5        4.3
  112   0   6   2 38.459  76.918   0.404    3.47    4      114.1      111.6
  113   6   4  -2 38.839  77.678   0.407    3.41    4       27.6        6.4
  114   6   4   0 38.879  77.757   0.407    3.41    4       21.5        3.9
  115   4   6  -1 39.264  78.528   0.411    3.35    4       18.9        3.0
  116   7   3  -1 39.268  78.535   0.411    3.35    4       54.5       24.6
  117   1   5  -3 39.273  78.545   0.411    3.35    4       21.6        3.9
  118   5   5  -2 39.308  78.616   0.411    3.35    4        5.9        0.3
  119   1   7   0 39.445  78.89    0.412    3.33    4       29.1        6.9
  120   4   2  -4 39.473  78.947   0.413    3.32    4       10.1        0.8
  121   4   4   2 39.633  79.266   0.414    3.3     4       46.6       17.7
  122   4   6   0 39.742  79.484   0.415    3.29    4       25.9        5.5
  123   3   5  -3 39.892  79.785   0.416    3.27    4       21.9        3.9
  124   3   5   2 39.941  79.883   0.417    3.26    4      115.1      106.8
  125   5   1  -4 40.043  80.085   0.418    3.25    4       10.8        0.9
  126   7   1  -3 40.097  80.195   0.418    3.24    4       20.6        3.4
  127   0   2   4 40.106  80.212   0.418    3.24    4       11.1        1.0
  128   7   3  -2 40.174  80.348   0.419    3.23    4       22.5        4.0
  129   1   7  -1 40.37   80.74    0.42     3.21    4       55.2       24.2
  130   2   4   3 40.525  81.049   0.422    3.19    4       18.1        2.6
  131   3   3  -4 40.701  81.402   0.423    3.17    4       29.6        6.9
  132   3   3   3 40.769  81.538   0.424    3.16    4        3.3        0.1
  133   1   1   4 40.988  81.975   0.426    3.14    4        0.2        0.0
  134   1   3  -4 41.015  82.031   0.426    3.14    4        8.8        0.6
  135   5   3   2 41.118  82.237   0.427    3.13    4       19.9        3.1
  136   7   3   0 41.144  82.287   0.427    3.12    4       26.5        5.4
  137   1   7   1 41.3    82.599   0.428    3.11    4       56.8       24.8
  138   8   0  -2 41.413  82.826   0.429    3.09    2       23.3        2.1
  139   4   6  -2 41.565  83.129   0.431    3.08    4        6.9        0.4
  140   7   1   1 42.033  84.065   0.435    3.04    4       10.1        0.8
  141   2   6   2 42.034  84.069   0.435    3.04    4        9.4        0.7
  142   1   5   3 42.065  84.131   0.435    3.03    4       27.7        5.7
  143   5   5   1 42.129  84.258   0.435    3.03    4       22.4        3.7
  144   6   0  -4 42.392  84.784   0.438    3.0     2      129.0       61.8
  145   6   0   2 42.508  85.016   0.439    2.99    2        4.3        0.1
  146   4   2   3 42.793  85.585   0.441    2.97    4       25.1        4.6
  147   3   7  -1 42.837  85.673   0.441    2.97    4       18.4        2.5
  148   8   2  -1 42.843  85.686   0.441    2.97    4       48.6       17.3
  149   3   7   0 42.846  85.693   0.441    2.97    4       19.7        2.9
  150   6   4  -3 42.976  85.953   0.442    2.96    4       45.5       15.1
  151   4   6   1 42.98   85.96    0.443    2.96    4       11.4        1.0
  152   6   4   1 43.054  86.107   0.443    2.95    4       21.4        3.4
  153   8   2  -2 43.275  86.55    0.445    2.93    4       27.3        5.4
  154   8   0   0 43.3    86.599   0.445    2.93    2       62.5       14.1
  155   2   0   4 43.64   87.28    0.448    2.91    2        2.4        0.0
  156   2   4  -4 43.695  87.39    0.448    2.9     4       19.4        2.7
  157   5   3  -4 43.774  87.548   0.449    2.9     4       19.4        2.7
  158   7   3  -3 43.828  87.656   0.45     2.9     4       39.4       11.1
  159   5   5  -3 43.897  87.793   0.45     2.89    4       17.6        2.2
  160   1   7  -2 44.041  88.081   0.451    2.88    4       39.6       11.2
  161   6   2  -4 44.249  88.499   0.453    2.87    4        8.6        0.5
  162   2   6  -3 44.291  88.583   0.453    2.87    4        2.1        0.0
  163   6   2   2 44.365  88.73    0.454    2.86    4       36.8        9.6
  164   1   3   4 44.708  89.416   0.457    2.84    4       14.7        1.5


  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   7.137  14.274  6.19967       56.2      5.0      5.0     5.6
    2   2   0   0   9.872  19.745  4.49265       17.1      1.5      1.5     5.6
    3   1   1  -1  10.194  20.389  4.35217      139.0     12.2     12.3     5.6
    4   0   2   0  10.362  20.724  4.28255      225.6     19.9     20.0     5.6
    5   1   1   1  12.572  25.144  3.53875       12.9      1.1      1.1     5.6
    6   0   2   1  13.722  27.443  3.2473       149.6     13.2     13.2     5.6
    7   2   2   0  14.388  28.776  3.09983      127.0     11.2     11.2     5.6
    8   2   2  -1  15.298  30.595  2.91958     1135.2    100.0    100.0     5.6
    9   3   1   0  15.81   31.62   2.82723      811.8     71.5     71.5     5.6
   10   2   0  -2  17.75   35.501  2.52656       44.0      3.9      3.9     5.7
   11   0   0   2  18.017  36.033  2.49045      461.1     40.6     40.4     5.7
   12   1   3  -1  18.052  36.104  2.48571      205.9     18.1     18.1     5.7
   13   2   2   1  18.598  37.197  2.41517      388.1     34.2     34.0     5.7
   14   3   1   1  20.464  40.927  2.20324      169.5     14.9     14.8     5.7
   15   1   1   2  20.891  41.782  2.16014      187.5     16.5     16.3     5.7
   16   0   2   2  20.965  41.929  2.15288      111.1      9.8      9.7     5.7
   17   3   3  -1  21.871  43.741  2.06781      231.6     20.4     20.1     5.7
   18   4   2  -1  22.116  44.232  2.04598       72.7      6.4      6.3     5.7
   19   4   0  -2  22.708  45.416  1.99535       78.1      6.9      6.8     5.7
   20   0   4   1  23.052  46.103  1.9672       233.6     20.6     20.3     5.7
   21   2   0   2  23.356  46.712  1.94296       35.5      3.1      3.1     5.7
   22   1   3  -2  23.558  47.117  1.92723       40.2      3.5      3.5     5.7
   23   2   4  -1  24.094  48.189  1.88682       67.2      5.9      5.8     5.7
   24   5   1  -1  24.774  49.547  1.83822       24.2      2.1      2.1     5.7
   25   4   2  -2  25.207  50.413  1.80867       31.1      2.7      2.7     5.8
   26   5   1   0  25.974  51.948  1.75876      104.0      9.2      9.0     5.8
   27   5   1  -2  27.077  54.154  1.69221       18.2      1.6      1.6     5.8
   28   1   5   0  27.243  54.485  1.68271       94.9      8.4      8.1     5.8
   29   3   1  -3  27.779  55.559  1.65272       82.2      7.2      7.1     5.8
   30   3   1   2  27.838  55.675  1.64954       26.2      2.3      2.2     5.8
   31   0   4   2  28.321  56.642  1.62365       82.1      7.2      7.0     5.8
   32   2   2  -3  28.578  57.156  1.61028      171.6     15.1     14.7     5.8
   33   5   3  -1  29.354  58.707  1.57137      232.0     20.4     19.8     5.8
   34   4   4   0  29.8    59.601  1.54992       97.7      8.6      8.3     5.8
   35   5   3   0  30.429  60.859  1.52086       11.7      1.0      1.0     5.8
   36   6   0  -2  30.911  61.822  1.49945       65.8      5.8      5.6     5.8
   37   6   0   0  30.955  61.909  1.49755       36.8      3.2      3.1     5.8
   38   3   5   0  31.199  62.398  1.48699       72.4      6.4      6.2     5.8
   39   1   3  -3  31.39   62.78   1.47886      165.4     14.6     14.0     5.9
   40   6   2  -1  31.478  62.956  1.47514       19.3      1.7      1.6     5.9
   41   4   0   2  31.786  63.573  1.46231       77.2      6.8      6.5     5.9
   42   2   4   2  32.366  64.732  1.4389        26.7      2.3      2.3     5.9
   43   0   6   0  32.656  65.312  1.42752       63.6      5.6      5.4     5.9
   44   6   2  -2  32.976  65.952  1.41521       15.1      1.3      1.3     5.9
   45   4   2   2  33.822  67.644  1.38386       47.4      4.2      4.0     5.9
   46   0   6   1  34.147  68.294  1.37227       18.7      1.6      1.6     5.9
   47   3   5  -2  34.194  68.387  1.37063      166.8     14.7     14.0     5.9
   48   5   3   1  34.485  68.97   1.36046      215.2     19.0     18.1     5.9
   49   1   5   2  34.527  69.055  1.359         16.1      1.4      1.4     5.9
   50   2   2   3  34.766  69.532  1.35084       75.6      6.7      6.3     5.9
   51   2   4  -3  34.81   69.62   1.34935       34.7      3.1      2.9     5.9
   52   7   1  -2  36.359  72.718  1.29929      165.3     14.6     13.8     6.0
   53   3   1  -4  36.902  73.805  1.28283       86.6      7.6      7.2     6.0
   54   1   1  -4  37.226  74.452  1.27328       25.1      2.2      2.1     6.0
   55   7   1   0  37.358  74.715  1.26944       32.4      2.9      2.7     6.0
   56   6   2   1  37.406  74.811  1.26805       42.0      3.7      3.5     6.0
   57   4   0  -4  37.571  75.142  1.26328       11.5      1.0      1.0     6.0
   58   0   0   4  38.213  76.426  1.24523       54.5      4.8      4.5     6.0
   59   2   6  -2  38.299  76.598  1.24286       37.0      3.3      3.1     6.0
   60   0   6   2  38.459  76.918  1.23849      111.6      9.8      9.2     6.0
   61   1   5  -3  39.273  78.545  1.21685       31.4      2.8      2.6     6.0
   62   4   4   2  39.633  79.266  1.20759       17.7      1.6      1.5     6.0
   63   3   5   2  39.941  79.883  1.19981      106.8      9.4      8.8     6.0
   64   1   7  -1  40.37   80.74   1.18922       24.2      2.1      2.0     6.1
   65   1   7   1  41.3    82.599  1.1671        24.8      2.2      2.0     6.1
   66   6   0  -4  42.392  84.784  1.14251       61.8      5.4      5.0     6.1
   67   3   7   0  42.846  85.693  1.13271       22.7      2.0      1.8     6.1
   68   6   4  -3  42.976  85.953  1.12994       16.1      1.4      1.3     6.1
   69   8   0   0  43.3    86.599  1.12316       19.5      1.7      1.6     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)