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

2, t-jadeite, at 24'C, f-pyroxenes, sf-Ca-Na-pyroxenes, s-aegirine

NaAlSi(2)O(6)


Monoclinic  C 2/c  Z = 4

R =0.036          NR =647

19 .6 .1990

Ref.Str.:

         M. Cameron, S. Sueno, C.T. Prewitt (1973)

         * Amer. Mineral., 58, 594-618

                   Initial data from BDM-file 

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

             a =   9.423    alpha =   90.0 
             b =   8.564    beta  =  107.56
             c =   5.223    gamma =   90.0 

    Unit cell volume (cub. angs.) =   401.85

    Molar volume ( cub.cm/mol.) =    60.51

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

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

   1 0.1092  0.076   0.1285   0.45   O     = 1.00
   2 0.3611  0.2633  0.2932   0.61   O     = 1.00
   3 0.3537  0.0072  0.006    0.55   O     = 1.00
   4 0.2906  0.0933  0.2277   0.34   Si    = 1.00
   5 0.0     0.9058  0.25     0.37   Al    = 1.00
   6 0.0     0.3005  0.25     1.0    Na    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1092     0.076      0.1285
     2       2     0.3611     0.2633     0.2932
     3       3     0.3537     0.0072     0.006 
     4       4     0.2906     0.0933     0.2277
     5       5     0.0        0.9058     0.25  
     6       6     0.0        0.3005     0.25  
     7       1     0.8908     0.924      0.8715
     8       2     0.6389     0.7367     0.7068
     9       3     0.6463     0.9928     0.994 
    10       4     0.7094     0.9067     0.7723
    11       5     0.0        0.0942     0.75  
    12       6     0.0        0.6995     0.75  
    13       1     0.1092     0.924      0.6285
    14       2     0.3611     0.7367     0.7932
    15       3     0.3537     0.9928     0.506 
    16       4     0.2906     0.9067     0.7277
    17       1     0.8908     0.076      0.3715
    18       2     0.6389     0.2633     0.2068
    19       3     0.6463     0.0072     0.494 
    20       4     0.7094     0.0933     0.2723
    21       1     0.6092     0.424      0.6285
    22       2     0.8611     0.2367     0.7932
    23       3     0.8537     0.4928     0.506 
    24       4     0.7906     0.4067     0.7277
    25       5     0.5        0.5942     0.75  
    26       6     0.5        0.1995     0.75  
    27       1     0.3908     0.576      0.3715
    28       2     0.1389     0.7633     0.2068
    29       3     0.1463     0.5072     0.494 
    30       4     0.2094     0.5933     0.2723
    31       5     0.5        0.4058     0.25  
    32       6     0.5        0.8005     0.25  
    33       1     0.6092     0.576      0.1285
    34       2     0.8611     0.7633     0.2932
    35       3     0.8537     0.5072     0.006 
    36       4     0.7906     0.5933     0.2277
    37       1     0.3908     0.424      0.8715
    38       2     0.1389     0.2367     0.7068
    39       3     0.1463     0.4928     0.994 
    40       4     0.2094     0.4067     0.7723


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

MU (1/cm) =     107.589    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    O                   3.264       11
                                                 2.7776       2
                                                 2.6371       3
                                                 2.4627       1
                                                 2.9179       1
                                                 2.9179       1
                                                 2.6386       3
                                                 2.7244       1
                                                 2.8206       2
                                                 2.7107       2
                                                 3.2535       2
                                                 2.6824       2
    2    O                   3.264       10
                                                 2.7776       1
                                                 2.6462       3
                                                 2.5794       3
                                                 2.7873       2
                                                 2.8206       1
                                                 2.7107       1
                                                 3.2535       1
                                                 2.6824       1
                                                 3.1539       2
                                                 2.9143       3
    3    O                   3.264        9
                                                 2.6371       1
                                                 2.6462       2
                                                 2.7795       3
                                                 2.6386       1
                                                 2.5794       2
                                                 2.6144       3
                                                 2.6144       3
                                                 3.1397       3
                                                 2.9143       2
    4    Si                  2.1          4
                                                 1.6364       1
                                                 1.594        2
                                                 1.629        3
                                                 1.6388       3
    5    Al                  2.316        6
                                                 1.995        1
                                                 1.9401       1
                                                 1.9401       1
                                                 1.995        1
                                                 1.8524       2
                                                 1.8524       2
    6    Na                  2.808        8
                                                 2.3563       1
                                                 2.3563       1
                                                 2.4124       2
                                                 2.7409       3
                                                 2.366        3
                                                 2.366        3
                                                 2.4124       2
                                                 2.7409       3

  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  7.138  14.276   0.081  126.57    4       13.3       55.6
    2   2   0   0  9.874  19.748   0.111   65.1     2       14.7       17.5
    3   1   1  -1 10.201  20.402   0.115   60.85    4       30.8      142.7
    4   0   2   0 10.363  20.726   0.117   58.9     2       55.7      226.6
    5   1   1   1 12.571  25.142   0.141   39.35    4       11.5       12.9
    6   0   2   1 13.724  27.449   0.154   32.69    4       42.8      148.4
    7   2   2   0 14.39   28.781   0.161   29.56    4       41.0      123.0
    8   2   2  -1 15.307  30.613   0.171   25.9     4      131.3     1105.2
    9   3   1  -1 15.804  31.608   0.177   24.18    4       71.0      302.2
   10   3   1   0 15.813  31.625   0.177   24.15    4       89.7      481.5
   11   1   3   0 16.447  32.894   0.184   22.18    4        7.0        2.7
   12   2   0  -2 17.766  35.532   0.198   18.75    2       43.4       43.7
   13   1   1  -2 17.966  35.933   0.2     18.29    4       11.8        6.3
   14   0   0   2 18.021  36.043   0.201   18.17    2      140.3      442.8
   15   1   3  -1 18.058  36.116   0.201   18.09    4       66.4      197.8
   16   2   2   1 18.597  37.193   0.207   16.96    4       94.6      376.0
   17   1   3   1 19.56   39.121   0.217   15.17    4       17.5       11.6
   18   4   0   0 20.057  40.115   0.223   14.34    2        6.4        0.7
   19   3   1  -2 20.439  40.878   0.227   13.75    4        1.5        0.1
   20   3   1   1 20.46   40.92    0.227   13.72    4       67.8      156.1
   21   2   2  -2 20.745  41.49    0.23    13.31    4       14.8        7.2
   22   1   1   2 20.891  41.782   0.231   13.1     4       74.6      180.8
   23   0   2   2 20.969  41.939   0.232   12.99    4       56.0      100.8
   24   0   4   0 21.086  42.173   0.234   12.83    2        4.2        0.3
   25   3   3  -1 21.881  43.762   0.242   11.81    4       69.3      140.6
   26   3   3   0 21.888  43.775   0.242   11.8     4       49.1       70.3
   27   4   2  -1 22.129  44.258   0.245   11.51    4       48.8       67.9
   28   4   0  -2 22.731  45.462   0.251   10.83    2       73.2       72.0
   29   4   2   0 22.785  45.57    0.251   10.78    4       13.7        5.0
   30   0   4   1 23.055  46.111   0.254   10.49    4       91.5      217.6
   31   2   0   2 23.353  46.706   0.257   10.19    2       50.0       31.6
   32   2   4   0 23.488  46.975   0.259   10.06    4        9.6        2.3
   33   1   3  -2 23.568  47.135   0.26     9.98    4       38.3       36.3
   34   2   4  -1 24.102  48.205   0.265    9.49    4       53.0       66.0
   35   5   1  -1 24.788  49.577   0.272    8.9     4       33.4       24.6
   36   4   2  -2 25.228  50.457   0.277    8.55    4       37.9       30.4
   37   3   3  -2 25.598  51.195   0.28     8.27    4       23.3       11.1
   38   3   3   1 25.615  51.231   0.281    8.26    4       20.0        8.2
   39   2   2   2 25.805  51.609   0.283    8.12    4       21.3        9.1
   40   5   1   0 25.979  51.957   0.284    8.0     4       61.2       74.2
   41   1   3   2 25.979  51.958   0.284    8.0     4       32.2       20.5
   42   2   4   1 26.477  52.955   0.289    7.66    4       20.9        8.3
   43   4   2   1 26.987  53.974   0.295    7.33    4        9.5        1.7
   44   1   1  -3 27.048  54.096   0.295    7.3     4       25.6       11.8
   45   5   1  -2 27.102  54.205   0.296    7.26    4       31.0       17.3
   46   1   5   0 27.247  54.493   0.297    7.18    4       69.1       84.9
   47   3   1  -3 27.804  55.608   0.303    6.85    4       65.3       72.4
   48   3   1   2 27.832  55.665   0.303    6.84    4       38.3       24.8
   49   2   4  -2 28.148  56.295   0.306    6.67    4       18.7        5.7
   50   0   4   2 28.327  56.654   0.308    6.57    4       64.2       67.1
   51   1   5  -1 28.352  56.705   0.308    6.56    4       25.8       10.8
   52   2   2  -3 28.597  57.194   0.311    6.43    4       99.0      156.2
   53   4   4  -1 29.265  58.53    0.317    6.1     4       16.7        4.2
   54   5   3  -1 29.368  58.736   0.318    6.06    4      118.9      212.2
   55   1   5   1 29.436  58.873   0.319    6.02    4        4.1        0.2
   56   4   4   0 29.805  59.61    0.323    5.86    4       79.0       90.5
   57   0   2   3 29.848  59.697   0.323    5.84    4        8.0        0.9
   58   1   1   3 30.317  60.633   0.328    5.64    4       18.0        4.5
   59   5   1   1 30.383  60.767   0.328    5.61    4       22.4        7.0
   60   5   3   0 30.434  60.869   0.329    5.59    4       26.4        9.6
   61   6   0  -2 30.939  61.878   0.334    5.39    2       93.4       58.2
   62   6   0   0 30.96   61.92    0.334    5.38    2       68.6       31.4
   63   3   5  -1 31.199  62.397   0.336    5.29    4        8.6        1.0
   64   3   5   0 31.204  62.408   0.336    5.29    4       69.4       63.2
   65   4   2  -3 31.261  62.522   0.337    5.27    4       23.0        6.9
   66   1   3  -3 31.403  62.807   0.338    5.22    4      107.4      149.2
   67   5   3  -2 31.453  62.906   0.339    5.2     4       22.9        6.8
   68   6   2  -1 31.494  62.989   0.339    5.18    4       36.2       16.8
   69   4   0   2 31.779  63.558   0.342    5.08    2      105.1       69.5
   70   4   4  -2 31.868  63.736   0.343    5.05    4       15.8        3.1
   71   3   3  -3 32.094  64.189   0.345    4.97    4       19.0        4.4
   72   3   3   2 32.12   64.24    0.345    4.97    4       10.3        1.3
   73   2   4   2 32.366  64.731   0.347    4.88    4       32.9       13.1
   74   5   1  -3 32.405  64.809   0.348    4.87    4       31.0       11.6
   75   1   5  -2 32.539  65.078   0.349    4.83    4        7.3        0.6
   76   0   6   0 32.661  65.321   0.35     4.79    2       99.2       58.4
   77   6   2  -2 33.003  66.007   0.354    4.68    4       31.5       11.5
   78   6   2   0 33.024  66.047   0.354    4.68    4       10.5        1.3
   79   4   4   1 33.398  66.796   0.357    4.57    4       12.5        1.8
   80   4   2   2 33.816  67.631   0.361    4.45    4       62.9       43.6
   81   0   6   1 34.152  68.305   0.364    4.36    4       37.0       14.8
   82   3   5  -2 34.21   68.421   0.365    4.34    4      116.1      145.0
   83   3   5   1 34.225  68.45    0.365    4.34    4       24.9        6.7
   84   1   3   3 34.42   68.841   0.367    4.29    4        9.3        0.9
   85   5   3   1 34.483  68.966   0.368    4.27    4      132.1      184.8
   86   2   6   0 34.489  68.979   0.368    4.27    4       22.2        5.2
   87   1   5   2 34.531  69.061   0.368    4.26    4       36.7       14.2
   88   2   2   3 34.765  69.529   0.37     4.2     4       80.3       67.2
   89   2   4  -3 34.828  69.657   0.371    4.19    4       56.0       32.5
   90   2   6  -1 34.974  69.948   0.372    4.15    4       16.3        2.7
   91   7   1  -1 35.439  70.878   0.376    4.04    4       19.1        3.7
   92   0   4   3 35.958  71.915   0.381    3.93    4       28.2        7.7
   93   2   0  -4 36.165  72.33    0.383    3.88    2       19.3        1.8
   94   5   3  -3 36.385  72.771   0.385    3.84    4       67.6       43.4
   95   7   1  -2 36.39   72.78    0.385    3.84    4      104.5      103.9
   96   2   6   1 36.904  73.809   0.39     3.74    4        9.9        0.9
   97   3   1  -4 36.933  73.867   0.39     3.73    4       91.5       77.5
   98   3   1   3 36.967  73.934   0.39     3.73    4       29.8        8.2
   99   1   1  -4 37.244  74.488   0.393    3.67    4       47.5       20.5
  100   4   4  -3 37.25   74.5     0.393    3.67    4       11.8        1.3
  101   5   1   2 37.323  74.647   0.394    3.66    4       36.5       12.1
  102   7   1   0 37.364  74.729   0.394    3.65    4       43.7       17.2
  103   6   2  -3 37.364  74.729   0.394    3.65    4        0.3        0.0
  104   6   2   1 37.403  74.806   0.394    3.65    4       63.6       36.5
  105   5   5  -1 37.462  74.923   0.395    3.64    4       18.1        2.9
  106   6   4  -1 37.465  74.93    0.395    3.64    4       10.2        0.9
  107   4   0  -4 37.609  75.217   0.396    3.61    2       45.1        9.1
  108   2   2  -4 38.091  76.183   0.4      3.53    4        7.9        0.5
  109   0   0   4 38.225  76.449   0.402    3.51    2      102.8       45.9
  110   2   6  -2 38.313  76.625   0.402    3.49    4       60.1       31.2
  111   5   5   0 38.412  76.824   0.403    3.48    4       23.2        4.6
  112   0   6   2 38.466  76.932   0.404    3.47    4      106.8       97.9
  113   6   4  -2 38.866  77.733   0.407    3.41    4       26.9        6.1
  114   6   4   0 38.885  77.771   0.407    3.41    4       18.4        2.9
  115   4   6  -1 39.277  78.554   0.411    3.35    4       15.7        2.0
  116   7   3  -1 39.286  78.572   0.411    3.35    4       51.8       22.2
  117   1   5  -3 39.287  78.573   0.411    3.35    4       20.6        3.5
  118   5   5  -2 39.332  78.663   0.411    3.34    4        7.5        0.5
  119   1   7   0 39.451  78.902   0.412    3.33    4       27.8        6.4
  120   4   2  -4 39.511  79.022   0.413    3.32    4        7.8        0.5
  121   4   4   2 39.628  79.257   0.414    3.3     4       44.7       16.4
  122   4   6   0 39.749  79.497   0.415    3.29    4       25.4        5.3
  123   3   5  -3 39.916  79.832   0.417    3.27    4       20.2        3.3
  124   3   5   2 39.94   79.879   0.417    3.26    4      104.6       88.4
  125   5   1  -4 40.086  80.173   0.418    3.24    4        9.5        0.7
  126   0   2   4 40.118  80.236   0.418    3.24    4       11.9        1.1
  127   7   1  -3 40.141  80.282   0.418    3.24    4       17.8        2.5
  128   7   3  -2 40.205  80.409   0.419    3.23    4       19.0        2.9
  129   1   7  -1 40.378  80.756   0.421    3.21    4       50.8       20.5
  130   2   4   3 40.525  81.05    0.422    3.19    4       19.6        3.0
  131   3   3  -4 40.732  81.464   0.424    3.17    4       24.9        4.9
  132   3   3   3 40.765  81.529   0.424    3.16    4        2.4        0.0
  133   1   1   4 40.993  81.987   0.426    3.14    4        2.4        0.0
  134   1   3  -4 41.034  82.067   0.426    3.13    4        6.3        0.3
  135   5   3   2 41.111  82.222   0.427    3.13    4       16.8        2.2
  136   7   3   0 41.151  82.302   0.427    3.12    4       25.5        5.0
  137   1   7   1 41.305  82.61    0.428    3.11    4       51.4       20.3
  138   8   0  -2 41.447  82.895   0.43     3.09    2       19.1        1.4
  139   4   6  -2 41.586  83.171   0.431    3.08    4        5.1        0.2
  140   7   1   1 42.03   84.06    0.435    3.04    4        8.4        0.5
  141   2   6   2 42.036  84.073   0.435    3.03    4        9.4        0.7
  142   1   5   3 42.07   84.141   0.435    3.03    4       24.7        4.6
  143   5   5   1 42.129  84.258   0.435    3.03    4       21.2        3.4
  144   6   0  -4 42.443  84.885   0.438    3.0     2      116.5       50.5
  145   6   0   2 42.498  84.997   0.439    2.99    2        6.2        0.1
  146   4   2   3 42.784  85.569   0.441    2.97    4       24.7        4.5
  147   3   7  -1 42.849  85.697   0.441    2.97    4       17.5        2.3
  148   3   7   0 42.853  85.707   0.441    2.97    4       15.1        1.7
  149   8   2  -1 42.864  85.728   0.442    2.96    4       44.3       14.4
  150   4   6   1 42.981  85.963   0.443    2.96    4        8.8        0.6
  151   6   4  -3 43.015  86.03    0.443    2.95    4       40.0       11.7
  152   6   4   1 43.052  86.105   0.443    2.95    4       22.1        3.6
  153   8   0   0 43.308  86.616   0.445    2.93    2       54.8       10.9
  154   8   2  -2 43.309  86.619   0.445    2.93    4       23.7        4.1
  155   2   0   4 43.64   87.28    0.448    2.91    2        1.2        0.0
  156   2   4  -4 43.72   87.44    0.449    2.9     4       17.7        2.3
  157   5   3  -4 43.818  87.637   0.449    2.9     4       16.7        2.0
  158   7   3  -3 43.872  87.744   0.45     2.89    4       37.2        9.9
  159   5   5  -3 43.931  87.861   0.45     2.89    4       16.1        1.9
  160   1   7  -2 44.052  88.105   0.451    2.88    4       35.0        8.7
  161   6   2  -4 44.3    88.6     0.453    2.87    4       10.0        0.7
  162   2   6  -3 44.311  88.622   0.453    2.87    4        3.8        0.1
  163   6   2   2 44.356  88.711   0.454    2.86    4       32.1        7.3
  164   1   3   4 44.715  89.429   0.457    2.84    4       14.5        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   7.138  14.276  6.19879       55.6      5.0      5.1     5.6
    2   2   0   0   9.874  19.748  4.49195       17.5      1.6      1.6     5.6
    3   1   1  -1  10.201  20.402  4.34928      142.7     12.9     13.0     5.6
    4   0   2   0  10.363  20.726  4.282        226.6     20.5     20.7     5.6
    5   1   1   1  12.571  25.142  3.53905       12.9      1.2      1.2     5.6
    6   0   2   1  13.724  27.449  3.2467       148.4     13.4     13.5     5.6
    7   2   2   0  14.39   28.781  3.0994       123.0     11.1     11.1     5.6
    8   2   2  -1  15.307  30.613  2.91791     1105.2    100.0    100.0     5.6
    9   3   1   0  15.813  31.625  2.8268       783.7     70.9     70.8     5.6
   10   2   0  -2  17.766  35.532  2.52442       43.7      4.0      3.9     5.7
   11   0   0   2  18.021  36.043  2.48981      442.8     40.1     39.9     5.7
   12   1   3  -1  18.058  36.116  2.48496      197.8     17.9     17.8     5.7
   13   2   2   1  18.597  37.193  2.41541      376.0     34.0     33.8     5.7
   14   1   3   1  19.56   39.121  2.30071       11.6      1.0      1.0     5.7
   15   3   1   1  20.46   40.92   2.2036       156.1     14.1     14.0     5.7
   16   1   1   2  20.891  41.782  2.16011      180.8     16.4     16.2     5.7
   17   0   2   2  20.969  41.939  2.1524       100.8      9.1      9.0     5.7
   18   3   3  -1  21.881  43.762  2.06687      210.9     19.1     18.8     5.7
   19   4   2  -1  22.129  44.258  2.04485       67.9      6.1      6.1     5.7
   20   4   0  -2  22.731  45.462  1.99344       72.0      6.5      6.4     5.7
   21   0   4   1  23.055  46.111  1.9669       217.6     19.7     19.4     5.7
   22   2   0   2  23.353  46.706  1.94321       31.6      2.9      2.8     5.7
   23   1   3  -2  23.568  47.135  1.9265        36.3      3.3      3.2     5.7
   24   2   4  -1  24.102  48.205  1.88623       66.0      6.0      5.9     5.7
   25   5   1  -1  24.788  49.577  1.83719       24.6      2.2      2.2     5.7
   26   4   2  -2  25.228  50.457  1.8072        30.4      2.7      2.7     5.8
   27   3   3  -2  25.598  51.195  1.78286       19.3      1.7      1.7     5.8
   28   5   1   0  25.979  51.957  1.75849       94.7      8.6      8.4     5.8
   29   1   1  -3  27.048  54.096  1.69391       11.8      1.1      1.0     5.8
   30   5   1  -2  27.102  54.205  1.69075       17.3      1.6      1.5     5.8
   31   1   5   0  27.247  54.493  1.6825        84.9      7.7      7.5     5.8
   32   3   1  -3  27.804  55.608  1.65136       97.3      8.8      8.6     5.8
   33   0   4   2  28.327  56.654  1.62335       77.9      7.1      6.9     5.8
   34   2   2  -3  28.597  57.194  1.6093       156.2     14.1     13.7     5.8
   35   5   3  -1  29.368  58.736  1.57067      212.2     19.2     18.6     5.8
   36   4   4   0  29.805  59.61   1.5497        90.5      8.2      7.9     5.8
   37   6   0  -2  30.939  61.878  1.49823       89.5      8.1      7.8     5.8
   38   3   5   0  31.204  62.408  1.48679       63.2      5.7      5.5     5.8
   39   1   3  -3  31.403  62.807  1.47829      149.2     13.5     13.0     5.9
   40   6   2  -1  31.494  62.989  1.47446       16.8      1.5      1.5     5.9
   41   4   0   2  31.779  63.558  1.46261       69.5      6.3      6.0     5.9
   42   2   4   2  32.366  64.731  1.43892       13.1      1.2      1.1     5.9
   43   5   1  -3  32.405  64.809  1.43738       11.6      1.1      1.0     5.9
   44   0   6   0  32.661  65.321  1.42733       58.4      5.3      5.1     5.9
   45   6   2  -2  33.003  66.007  1.41417       12.8      1.2      1.1     5.9
   46   4   2   2  33.816  67.631  1.3841        43.6      3.9      3.8     5.9
   47   0   6   1  34.152  68.305  1.37208       14.8      1.3      1.3     5.9
   48   3   5  -2  34.21   68.421  1.37004      151.7     13.7     13.1     5.9
   49   5   3   1  34.483  68.966  1.36054      190.0     17.2     16.4     5.9
   50   1   5   2  34.531  69.061  1.35888       14.2      1.3      1.2     5.9
   51   2   2   3  34.765  69.529  1.35088       67.2      6.1      5.8     5.9
   52   2   4  -3  34.828  69.657  1.34872       32.5      2.9      2.8     5.9
   53   7   1  -2  36.39   72.78   1.29835      147.4     13.3     12.6     6.0
   54   3   1  -4  36.933  73.867  1.28191       77.5      7.0      6.6     6.0
   55   1   1  -4  37.244  74.488  1.27275       21.8      2.0      1.9     6.0
   56   5   1   2  37.323  74.647  1.27043       12.1      1.1      1.0     6.0
   57   7   1   0  37.364  74.729  1.26924       17.2      1.6      1.5     6.0
   58   6   2   1  37.403  74.806  1.26813       36.5      3.3      3.1     6.0
   59   0   0   4  38.225  76.449  1.2449        45.9      4.2      3.9     6.0
   60   2   6  -2  38.313  76.625  1.24248       31.2      2.8      2.7     6.0
   61   0   6   2  38.466  76.932  1.23829       97.9      8.9      8.3     6.0
   62   1   5  -3  39.287  78.573  1.21649       27.8      2.5      2.4     6.0
   63   4   4   2  39.628  79.257  1.2077        16.4      1.5      1.4     6.0
   64   3   5   2  39.94   79.879  1.19985       91.7      8.3      7.7     6.0
   65   1   7  -1  40.378  80.756  1.18902       20.5      1.9      1.7     6.1
   66   1   7   1  41.305  82.61   1.16697       20.3      1.8      1.7     6.1
   67   6   0  -4  42.443  84.885  1.1414        50.5      4.6      4.2     6.1
   68   8   2  -1  42.864  85.728  1.13234       18.3      1.7      1.5     6.1
   69   6   4  -3  43.015  86.03   1.12912       11.7      1.1      1.0     6.1
   70   8   0   0  43.308  86.616  1.12299       15.0      1.4      1.2     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)