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

1, t-jadeite, f-pyroxenes, sf-Ca-Na-pyroxenes, s-aegirine

NaAlSi(2)O(6)


Monoclinic  C 2/c  Z = 4

R =0.037          NR =362

21 .11 .1989

Ref.Str.:

         C.T. Prewitt, C.W. Burnham (1966)

         * Amer. Mineral., 51, 956-975

                   Initial data from BDM-file 

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

             a =   9.418    alpha =   90.0 
             b =   8.562    beta  =  107.97
             c =   5.219    gamma =   90.0 

    Unit cell volume (cub. angs.) =   400.31

    Molar volume ( cub.cm/mol.) =    60.28

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

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

   1 0.0     0.3009  0.25     0.0    Na    = 1.00
   2 0.0     0.094   0.75     0.0    Al    = 1.00
   3 0.2906  0.0934  0.2277   0.0    Si    = 1.00
   4 0.109   0.0763  0.1275   0.0    O     = 1.00
   5 0.3608  0.263   0.2929   0.0    O     = 1.00
   6 0.3533  0.007   0.0058   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.3009     0.25  
     2       2     0.0        0.094      0.75  
     3       3     0.2906     0.0934     0.2277
     4       4     0.109      0.0763     0.1275
     5       5     0.3608     0.263      0.2929
     6       6     0.3533     0.007      0.0058
     7       1     0.0        0.6991     0.75  
     8       2     0.0        0.906      0.25  
     9       3     0.7094     0.9066     0.7723
    10       4     0.891      0.9237     0.8725
    11       5     0.6392     0.737      0.7071
    12       6     0.6467     0.993      0.9942
    13       3     0.2906     0.9066     0.7277
    14       4     0.109      0.9237     0.6275
    15       5     0.3608     0.737      0.7929
    16       6     0.3533     0.993      0.5058
    17       3     0.7094     0.0934     0.2723
    18       4     0.891      0.0763     0.3725
    19       5     0.6392     0.263      0.2071
    20       6     0.6467     0.007      0.4942
    21       1     0.5        0.1991     0.75  
    22       2     0.5        0.406      0.25  
    23       3     0.7906     0.4066     0.7277
    24       4     0.609      0.4237     0.6275
    25       5     0.8608     0.237      0.7929
    26       6     0.8533     0.493      0.5058
    27       1     0.5        0.8009     0.25  
    28       2     0.5        0.594      0.75  
    29       3     0.2094     0.5934     0.2723
    30       4     0.391      0.5763     0.3725
    31       5     0.1392     0.763      0.2071
    32       6     0.1467     0.507      0.4942
    33       3     0.7906     0.5934     0.2277
    34       4     0.609      0.5763     0.1275
    35       5     0.8608     0.763      0.2929
    36       6     0.8533     0.507      0.0058
    37       3     0.2094     0.4066     0.7723
    38       4     0.391      0.4237     0.8725
    39       5     0.1392     0.237      0.7071
    40       6     0.1467     0.493      0.9942


X-ray density (g/cm cub.)   =      3.35

MU (1/cm) =     108.001    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
                                                 2.3591       4
                                                 2.3591       4
                                                 2.404        5
                                                 2.7449       6
                                                 2.3581       6
                                                 2.3581       6
                                                 2.404        5
                                                 2.7449       6
    2    Al                  2.316        6
                                                 1.9262       4
                                                 1.9984       4
                                                 1.9984       4
                                                 1.9262       4
                                                 1.8571       5
                                                 1.8571       5
    3    Si                  2.1          4
                                                 1.6335       4
                                                 1.5883       5
                                                 1.6307       6
                                                 1.6326       6
    4    O                   3.264       11
                                                 2.7679       5
                                                 2.6365       6
                                                 2.451        4
                                                 2.9183       4
                                                 2.9183       4
                                                 2.6263       6
                                                 2.7332       4
                                                 2.8086       5
                                                 2.7159       5
                                                 3.2547       5
                                                 2.6783       5
    5    O                   3.264       10
                                                 2.7679       4
                                                 2.6437       6
                                                 2.5753       6
                                                 2.7928       5
                                                 2.8086       4
                                                 2.7159       4
                                                 3.2547       4
                                                 2.6783       4
                                                 3.1329       5
                                                 2.9042       6
    6    O                   3.264        9
                                                 2.6365       4
                                                 2.6437       5
                                                 2.7851       6
                                                 2.6263       4
                                                 2.5753       5
                                                 2.6123       6
                                                 2.6123       6
                                                 3.1284       6
                                                 2.9042       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  7.149  14.297   0.081  126.19    4       13.3       55.5
    2   2   0   0  9.902  19.804   0.112   64.71    2       14.8       17.8
    3   1   1  -1 10.195  20.39    0.115   60.92    4       30.8      143.9
    4   0   2   0 10.366  20.731   0.117   58.87    2       55.6      227.4
    5   1   1   1 12.628  25.256   0.142   38.98    4       11.1       12.1
    6   0   2   1 13.744  27.489   0.154   32.59    4       42.8      149.0
    7   2   2   0 14.412  28.824   0.162   29.46    4       41.5      126.9
    8   2   2  -1 15.292  30.584   0.171   25.95    4      133.6     1155.9
    9   3   1  -1 15.786  31.572   0.177   24.23    4       72.8      321.0
   10   3   1   0 15.854  31.708   0.177   24.01    4       90.9      495.1
   11   1   3   0 16.455  32.91    0.184   22.15    4        6.3        2.2
   12   2   0  -2 17.75   35.5     0.198   18.78    2       43.5       44.3
   13   1   1  -2 17.983  35.967   0.2     18.25    4       12.4        7.1
   14   1   3  -1 18.057  36.114   0.201   18.09    4       67.6      206.4
   15   0   0   2 18.079  36.157   0.201   18.04    2      142.6      457.6
   16   2   2   1 18.671  37.342   0.208   16.81    4       96.1      387.4
   17   1   3   1 19.601  39.203   0.218   15.1     4       17.9       12.0
   18   4   0   0 20.116  40.233   0.223   14.25    2        6.0        0.6
   19   3   1  -2 20.403  40.806   0.226   13.81    4        2.4        0.2
   20   3   1   1 20.566  41.132   0.228   13.57    4       70.6      169.0
   21   2   2  -2 20.732  41.465   0.23    13.32    4       15.1        7.6
   22   1   1   2 20.985  41.97    0.232   12.97    4       75.3      183.7
   23   0   2   2 21.021  42.042   0.233   12.92    4       59.1      112.5
   24   0   4   0 21.092  42.183   0.234   12.82    2        3.5        0.2
   25   3   3  -1 21.87   43.74    0.242   11.82    4       72.3      154.1
   26   3   3   0 21.922  43.843   0.242   11.76    4       51.8       78.7
   27   4   2  -1 22.122  44.243   0.244   11.52    4       51.0       74.7
   28   4   0  -2 22.685  45.369   0.25    10.88    2       76.3       79.1
   29   4   2   0 22.84   45.679   0.252   10.72    4       14.5        5.7
   30   0   4   1 23.072  46.144   0.254   10.48    4       94.4      233.1
   31   2   0   2 23.484  46.968   0.259   10.06    2       52.8       35.1
   32   2   4   0 23.506  47.011   0.259   10.04    4        9.5        2.2
   33   1   3  -2 23.584  47.168   0.26     9.97    4       40.9       41.7
   34   2   4  -1 24.096  48.192   0.265    9.49    4       53.3       67.2
   35   5   1  -1 24.792  49.584   0.272    8.9     4       33.3       24.7
   36   4   2  -2 25.186  50.373   0.276    8.58    4       38.7       32.1
   37   3   3  -2 25.57   51.14    0.28     8.29    4       23.1       11.0
   38   3   3   1 25.707  51.413   0.282    8.19    4       21.6        9.6
   39   2   2   2 25.928  51.855   0.284    8.04    4       22.4       10.0
   40   5   1   0 26.054  52.109   0.285    7.95    4       63.8       80.8
   41   1   3   2 26.06   52.121   0.285    7.94    4       34.6       23.7
   42   2   4   1 26.537  53.074   0.29     7.62    4       19.7        7.4
   43   5   1  -2 27.056  54.112   0.295    7.29    4       31.9       18.5
   44   1   1  -3 27.096  54.192   0.296    7.27    4       25.2       11.5
   45   4   2   1 27.11   54.22    0.296    7.26    4       10.7        2.1
   46   1   5   0 27.256  54.512   0.297    7.17    4       73.5       96.8
   47   3   1  -3 27.779  55.558   0.303    6.87    4       69.9       83.7
   48   3   1   2 27.994  55.989   0.305    6.75    4       38.7       25.2
   49   2   4  -2 28.141  56.281   0.306    6.67    4       19.7        6.5
   50   1   5  -1 28.356  56.712   0.308    6.55    4       27.6       12.4
   51   0   4   2 28.371  56.742   0.308    6.55    4       65.9       70.9
   52   2   2  -3 28.606  57.211   0.311    6.43    4      103.5      172.0
   53   4   4  -1 29.262  58.525   0.317    6.11    4       16.0        3.9
   54   5   3  -1 29.373  58.746   0.318    6.05    4      124.1      232.7
   55   1   5   1 29.471  58.941   0.319    6.01    4        5.4        0.4
   56   4   4   0 29.853  59.707   0.323    5.84    4       82.4       98.8
   57   0   2   3 29.937  59.874   0.324    5.8     4       10.1        1.5
   58   1   1   3 30.452  60.903   0.329    5.58    4       18.1        4.5
   59   5   3   0 30.505  61.01    0.329    5.56    4       28.9       11.6
   60   5   1   1 30.537  61.073   0.33     5.55    4       21.5        6.4
   61   6   0  -2 30.896  61.792   0.333    5.41    2       99.5       66.8
   62   6   0   0 31.057  62.115   0.335    5.35    2       74.2       36.7
   63   3   5  -1 31.194  62.388   0.336    5.29    4        9.1        1.1
   64   4   2  -3 31.213  62.426   0.336    5.29    4       24.7        8.1
   65   3   5   0 31.234  62.468   0.337    5.28    4       73.3       70.8
   66   5   3  -2 31.413  62.825   0.338    5.21    4       25.9        8.7
   67   1   3  -3 31.449  62.898   0.339    5.2     4      113.1      166.1
   68   6   2  -1 31.513  63.026   0.339    5.18    4       38.9       19.6
   69   4   4  -2 31.835  63.67    0.342    5.06    4       16.1        3.3
   70   4   0   2 31.976  63.953   0.344    5.01    2      111.1       77.2
   71   3   3  -3 32.073  64.147   0.345    4.98    4       21.5        5.8
   72   3   3   2 32.271  64.541   0.347    4.92    4        9.7        1.2
   73   5   1  -3 32.337  64.674   0.347    4.89    4       30.8       11.6
   74   2   4   2 32.475  64.95    0.349    4.85    4       34.9       14.7
   75   1   5  -2 32.556  65.111   0.349    4.82    4        6.6        0.5
   76   0   6   0 32.669  65.339   0.35     4.79    2      103.2       63.6
   77   6   2  -2 32.963  65.925   0.353    4.7     4       35.9       15.1
   78   6   2   0 33.118  66.237   0.355    4.65    4       12.5        1.8
   79   4   4   1 33.51   67.019   0.358    4.53    4       14.8        2.5
   80   4   2   2 34.007  68.015   0.363    4.4     4       65.7       47.4
   81   0   6   1 34.17   68.34    0.365    4.35    4       41.2       18.5
   82   3   5  -2 34.191  68.381   0.365    4.35    4      124.3      167.6
   83   3   5   1 34.305  68.611   0.366    4.32    4       26.3        7.5
   84   2   6   0 34.508  69.016   0.368    4.27    4       23.8        6.0
   85   1   3   3 34.548  69.097   0.368    4.26    4       10.6        1.2
   86   1   5   2 34.603  69.206   0.369    4.24    4       40.0       17.0
   87   5   3   1 34.628  69.256   0.369    4.24    4      139.7      206.3
   88   2   4  -3 34.839  69.678   0.371    4.18    4       56.9       33.8
   89   2   2   3 34.94   69.881   0.372    4.16    4       85.6       76.0
   90   2   6  -1 34.974  69.947   0.372    4.15    4       15.4        2.5
   91   7   1  -1 35.475  70.95    0.377    4.03    4       21.3        4.5
   92   0   4   3 36.041  72.082   0.382    3.91    4       31.0        9.4
   93   2   0  -4 36.206  72.412   0.383    3.88    2       18.8        1.7
   94   5   3  -3 36.323  72.646   0.384    3.85    4       71.3       48.9
   95   7   1  -2 36.355  72.711   0.385    3.85    4      110.4      117.1
   96   3   1  -4 36.932  73.864   0.39     3.73    4       97.1       87.8
   97   2   6   1 36.958  73.917   0.39     3.73    4        8.4        0.7
   98   3   1   3 37.191  74.382   0.392    3.68    4       33.9       10.6
   99   4   4  -3 37.208  74.416   0.393    3.68    4       14.8        2.0
  100   6   2  -3 37.288  74.576   0.393    3.67    4        1.5        0.0
  101   1   1  -4 37.332  74.663   0.394    3.66    4       51.0       23.7
  102   5   5  -1 37.47   74.94    0.395    3.63    4       19.5        3.4
  103   6   4  -1 37.485  74.969   0.395    3.63    4       13.0        1.5
  104   7   1   0 37.486  74.971   0.395    3.63    4       44.5       18.0
  105   5   1   2 37.556  75.112   0.396    3.62    4       38.4       13.3
  106   4   0  -4 37.57   75.14    0.396    3.62    2       49.9       11.2
  107   6   2   1 37.583  75.166   0.396    3.61    4       68.8       42.7
  108   2   2  -4 38.133  76.265   0.401    3.52    4        9.1        0.7
  109   2   6  -2 38.311  76.622   0.402    3.49    4       65.8       37.7
  110   0   0   4 38.363  76.726   0.403    3.49    2      111.8       54.3
  111   5   5   0 38.479  76.958   0.404    3.47    4       22.5        4.4
  112   0   6   2 38.509  77.017   0.404    3.46    4      113.3      111.0
  113   6   4  -2 38.831  77.662   0.407    3.41    4       28.1        6.7
  114   6   4   0 38.977  77.953   0.408    3.39    4       21.7        4.0
  115   4   6  -1 39.279  78.557   0.411    3.35    4       18.7        2.9
  116   5   5  -2 39.299  78.597   0.411    3.35    4        5.6        0.3
  117   7   3  -1 39.322  78.644   0.411    3.34    4       54.7       25.0
  118   1   5  -3 39.332  78.663   0.411    3.34    4       22.3        4.2
  119   1   7   0 39.464  78.929   0.413    3.32    4       29.1        7.0
  120   4   2  -4 39.474  78.948   0.413    3.32    4       10.1        0.9
  121   4   6   0 39.795  79.591   0.415    3.28    4       25.3        5.2
  122   4   4   2 39.812  79.623   0.416    3.28    4       47.6       18.6
  123   3   5  -3 39.9    79.801   0.416    3.27    4       21.9        3.9
  124   5   1  -4 40.017  80.035   0.417    3.25    4       10.6        0.9
  125   7   1  -3 40.057  80.114   0.418    3.25    4       20.4        3.4
  126   3   5   2 40.081  80.162   0.418    3.24    4      114.7      106.6
  127   7   3  -2 40.173  80.346   0.419    3.23    4       22.7        4.2
  128   0   2   4 40.256  80.511   0.419    3.22    4       10.9        1.0
  129   1   7  -1 40.387  80.773   0.421    3.21    4       56.1       25.2
  130   2   4   3 40.694  81.389   0.423    3.17    4       18.7        2.8
  131   3   3  -4 40.732  81.465   0.424    3.17    4       29.5        6.9
  132   3   3   3 40.984  81.968   0.426    3.14    4        4.1        0.1
  133   1   3  -4 41.121  82.242   0.427    3.13    4        8.6        0.6
  134   1   1   4 41.185  82.37    0.427    3.12    4        0.9        0.0
  135   7   3   0 41.271  82.542   0.428    3.11    4       26.1        5.3
  136   5   3   2 41.34   82.679   0.429    3.1     4       20.3        3.2
  137   1   7   1 41.34   82.68    0.429    3.1     4       56.9       25.1
  138   8   0  -2 41.423  82.847   0.429    3.09    2       23.3        2.1
  139   4   6  -2 41.56   83.12    0.431    3.08    4        7.7        0.5
  140   2   6   2 42.14   84.281   0.436    3.03    4       10.5        0.8
  141   1   5   3 42.194  84.388   0.436    3.02    4       28.3        6.0
  142   7   1   1 42.248  84.497   0.436    3.02    4        9.8        0.7
  143   5   5   1 42.269  84.537   0.437    3.01    4       22.6        3.8
  144   6   0  -4 42.348  84.696   0.437    3.01    2      129.1       62.6
  145   6   0   2 42.776  85.553   0.441    2.97    2        4.7        0.1
  146   3   7  -1 42.85   85.7     0.441    2.97    4       17.7        2.3
  147   3   7   0 42.885  85.771   0.442    2.96    4       19.1        2.7
  148   8   2  -1 42.921  85.842   0.442    2.96    4       48.5       17.4
  149   6   4  -3 42.944  85.888   0.442    2.96    4       45.6       15.3
  150   4   2   3 43.057  86.115   0.443    2.95    4       25.3        4.7
  151   4   6   1 43.089  86.177   0.443    2.95    4       11.4        1.0
  152   6   4   1 43.229  86.458   0.445    2.94    4       21.6        3.4
  153   8   2  -2 43.287  86.573   0.445    2.93    4       27.2        5.4
  154   8   0   0 43.461  86.922   0.446    2.92    2       62.0       14.0
  155   5   3  -4 43.752  87.504   0.449    2.9     4       19.8        2.8
  156   2   4  -4 43.763  87.525   0.449    2.9     4       19.9        2.9
  157   7   3  -3 43.791  87.582   0.449    2.9     4       39.4       11.2
  158   5   5  -3 43.874  87.749   0.45     2.89    4       18.0        2.3
  159   2   0   4 43.89   87.779   0.45     2.89    2        1.0        0.0
  160   1   7  -2 44.073  88.146   0.452    2.88    4       39.7       11.3
  161   6   2  -4 44.206  88.413   0.453    2.87    4        8.5        0.5
  162   2   6  -3 44.325  88.651   0.454    2.86    4        2.2        0.0
  163   6   2   2 44.634  89.267   0.456    2.85    4       37.2        9.9
  164   1   3   4 44.906  89.812   0.458    2.83    4       14.1        1.4


  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   7.149  14.297  6.1897        55.5      4.8      4.9     5.6
    2   2   0   0   9.902  19.804  4.47929       17.8      1.5      1.6     5.6
    3   1   1  -1  10.195  20.39   4.35183      143.9     12.4     12.5     5.6
    4   0   2   0  10.366  20.731  4.281        227.4     19.7     19.8     5.6
    5   1   1   1  12.628  25.256  3.52342       12.1      1.0      1.0     5.6
    6   0   2   1  13.744  27.489  3.24204      149.0     12.9     12.9     5.6
    7   2   2   0  14.412  28.824  3.09485      126.9     11.0     11.0     5.6
    8   2   2  -1  15.292  30.584  2.92063     1155.9    100.0    100.0     5.6
    9   3   1  -1  15.786  31.572  2.83142      321.0     27.8     27.7     5.6
   10   3   1   0  15.854  31.708  2.81962      495.1     42.8     42.8     5.6
   11   2   0  -2  17.75   35.5    2.52662       44.3      3.8      3.8     5.7
   12   0   0   2  18.079  36.157  2.4822       664.0     57.5     57.2     5.7
   13   2   2   1  18.671  37.342  2.40612      387.4     33.5     33.3     5.7
   14   1   3   1  19.601  39.203  2.29609       12.0      1.0      1.0     5.7
   15   3   1   1  20.566  41.132  2.19275      169.0     14.6     14.5     5.7
   16   1   1   2  20.985  41.97   2.1509       183.7     15.9     15.7     5.7
   17   0   2   2  21.021  42.042  2.14735      112.5      9.7      9.6     5.7
   18   3   3  -1  21.87   43.74   2.06785      154.1     13.3     13.2     5.7
   19   3   3   0  21.922  43.843  2.06323       78.7      6.8      6.7     5.7
   20   4   2  -1  22.122  44.243  2.04548       74.7      6.5      6.4     5.7
   21   4   0  -2  22.685  45.369  1.99732       79.1      6.8      6.7     5.7
   22   0   4   1  23.072  46.144  1.96558      233.1     20.2     19.9     5.7
   23   2   0   2  23.484  46.968  1.93297       37.3      3.2      3.2     5.7
   24   1   3  -2  23.584  47.168  1.92527       41.7      3.6      3.5     5.7
   25   2   4  -1  24.096  48.192  1.88671       67.2      5.8      5.7     5.7
   26   5   1  -1  24.792  49.584  1.83695       24.7      2.1      2.1     5.7
   27   4   2  -2  25.186  50.373  1.81002       32.1      2.8      2.7     5.8
   28   5   1   0  26.054  52.109  1.75373      104.6      9.0      8.8     5.8
   29   5   1  -2  27.056  54.112  1.69344       18.5      1.6      1.6     5.8
   30   1   1  -3  27.096  54.192  1.69113       13.6      1.2      1.1     5.8
   31   1   5   0  27.256  54.512  1.68195       96.8      8.4      8.2     5.8
   32   3   1  -3  27.779  55.558  1.65273       83.7      7.2      7.1     5.8
   33   3   1   2  27.994  55.989  1.64104       25.2      2.2      2.1     5.8
   34   0   4   2  28.371  56.742  1.62102       83.3      7.2      7.0     5.8
   35   2   2  -3  28.606  57.211  1.60885      172.0     14.9     14.5     5.8
   36   5   3  -1  29.373  58.746  1.57042      232.7     20.1     19.5     5.8
   37   4   4   0  29.853  59.707  1.54742       98.8      8.6      8.3     5.8
   38   5   3   0  30.505  61.01   1.51746       11.6      1.0      1.0     5.8
   39   6   0  -2  30.896  61.792  1.50011       66.8      5.8      5.6     5.8
   40   6   0   0  31.057  62.115  1.4931        36.7      3.2      3.1     5.8
   41   3   5   0  31.234  62.468  1.48549       80.0      6.9      6.7     5.8
   42   1   3  -3  31.449  62.898  1.47637      166.1     14.4     13.8     5.9
   43   6   2  -1  31.513  63.026  1.47368       19.6      1.7      1.6     5.9
   44   4   0   2  31.976  63.953  1.45454       77.2      6.7      6.4     5.9
   45   5   1  -3  32.337  64.674  1.44006       11.6      1.0      1.0     5.9
   46   2   4   2  32.475  64.95   1.43459       14.7      1.3      1.2     5.9
   47   0   6   0  32.669  65.339  1.427         63.6      5.5      5.3     5.9
   48   6   2  -2  32.963  65.925  1.41571       15.1      1.3      1.3     5.9
   49   4   2   2  34.007  68.015  1.37722       47.4      4.1      3.9     5.9
   50   3   5  -2  34.191  68.381  1.37073      186.1     16.1     15.4     5.9
   51   5   3   1  34.628  69.256  1.35554      223.3     19.3     18.4     5.9
   52   2   4  -3  34.839  69.678  1.34836       33.8      2.9      2.8     5.9
   53   2   2   3  34.94   69.881  1.34494       76.0      6.6      6.3     5.9
   54   5   3  -3  36.323  72.646  1.30041       48.9      4.2      4.0     6.0
   55   7   1  -2  36.355  72.711  1.29941      117.1     10.1      9.6     6.0
   56   3   1  -4  36.932  73.864  1.28194       88.5      7.7      7.2     6.0
   57   3   1   3  37.191  74.382  1.27429       12.6      1.1      1.0     6.0
   58   1   1  -4  37.332  74.663  1.27019       23.7      2.1      1.9     6.0
   59   7   1   0  37.486  74.971  1.26573       22.9      2.0      1.9     6.0
   60   6   2   1  37.583  75.166  1.26294       67.3      5.8      5.5     6.0
   61   2   6  -2  38.311  76.622  1.24252       37.7      3.3      3.1     6.0
   62   0   0   4  38.363  76.726  1.2411        54.3      4.7      4.4     6.0
   63   0   6   2  38.509  77.017  1.23713      115.4     10.0      9.4     6.0
   64   7   3  -1  39.322  78.644  1.21557       29.1      2.5      2.4     6.0
   65   4   4   2  39.812  79.623  1.20306       23.8      2.1      1.9     6.0
   66   3   5   2  40.081  80.162  1.19633      110.0      9.5      8.9     6.0
   67   1   7  -1  40.387  80.773  1.18881       25.2      2.2      2.0     6.1
   68   1   7   1  41.34   82.68   1.16617       28.3      2.4      2.3     6.1
   69   6   0  -4  42.348  84.696  1.14348       62.6      5.4      5.0     6.1
   70   8   2  -1  42.921  85.842  1.13112       32.7      2.8      2.6     6.1
   71   8   0   0  43.461  86.922  1.11982       14.0      1.2      1.1     6.1
   72   7   3  -3  43.791  87.582  1.11308       16.9      1.5      1.3     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)