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

16, t-diopside, at 12.4 GPa, f-pyroxenes, sf-Ca-Na-pyroxenes, s-aegirine

NaAlSi(2)O(6)


Monoclinic  C 2/c  Z = 4

C2/c

30 .1 .15

Ref.Str.:

         Posner E.S., Dera P., Downs R.T., Lazarz J.D., Irmen P. (2014)

         * Phys. Chem. Minerals, 41, 695-707

         L: $Na1 Al1 Si2 O6$

         R: Locality - Clear Creek, San Benito County, California, USA.

         Structure data and U(ij) for all spacimens from 1.9 GPa upto 21.5 GPa

         see in the original.    N.A.D.

                   Initial data from BDM-file 

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

             a =   9.163    alpha =   90.0 
             b =   8.34     beta  =  106.52
             c =   5.0739   gamma =   90.0 

    Unit cell volume (cub. angs.) =   371.74

    Molar volume ( cub.cm/mol.) =    55.98

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

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

   1 0.0     0.3063  0.25     0.0    Na    = 1.00
   2 0.0     0.0905  0.75     0.0    Al    = 1.00
   3 0.2914  0.0956  0.23     0.0    Si    = 1.00
   4 0.109   0.0796  0.1307   0.0    O     = 1.00
   5 0.36    0.2694  0.3077   0.0    O     = 1.00
   6 0.1412  0.4833  0.0023   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.3063     0.25  
     2       2     0.0        0.0905     0.75  
     3       3     0.2914     0.0956     0.23  
     4       4     0.109      0.0796     0.1307
     5       5     0.36       0.2694     0.3077
     6       6     0.1412     0.4833     0.0023
     7       1     0.0        0.6937     0.75  
     8       2     0.0        0.9095     0.25  
     9       3     0.7086     0.9044     0.77  
    10       4     0.891      0.9204     0.8693
    11       5     0.64       0.7306     0.6923
    12       6     0.8588     0.5167     0.9977
    13       3     0.2914     0.9044     0.73  
    14       4     0.109      0.9204     0.6307
    15       5     0.36       0.7306     0.8077
    16       6     0.1412     0.5167     0.5023
    17       3     0.7086     0.0956     0.27  
    18       4     0.891      0.0796     0.3693
    19       5     0.64       0.2694     0.1923
    20       6     0.8588     0.4833     0.4977
    21       1     0.5        0.1937     0.75  
    22       2     0.5        0.4095     0.25  
    23       3     0.7914     0.4044     0.73  
    24       4     0.609      0.4204     0.6307
    25       5     0.86       0.2306     0.8077
    26       6     0.6412     0.0167     0.5023
    27       1     0.5        0.8063     0.25  
    28       2     0.5        0.5905     0.75  
    29       3     0.2086     0.5956     0.27  
    30       4     0.391      0.5796     0.3693
    31       5     0.14       0.7694     0.1923
    32       6     0.3588     0.9833     0.4977
    33       3     0.7914     0.5956     0.23  
    34       4     0.609      0.5796     0.1307
    35       5     0.86       0.7694     0.3077
    36       6     0.6412     0.9833     0.0023
    37       3     0.2086     0.4044     0.77  
    38       4     0.391      0.4204     0.8693
    39       5     0.14       0.2306     0.6923
    40       6     0.3588     0.0167     0.9977


X-ray density (g/cm cub.)   =      3.61

MU (1/cm) =     116.304    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
                                                 2.2984       4
                                                 2.5214       6
                                                 2.3345       6
                                                 2.3345       6
                                                 2.2984       4
                                                 2.5214       6
                                                 2.3331       5
                                                 2.3331       5
    2    Al                  2.316        6
                                                 1.9078       4
                                                 1.9288       4
                                                 1.9288       4
                                                 1.9078       4
                                                 1.8194       5
                                                 1.8194       5
    3    Si                  2.1          4
                                                 1.6081       4
                                                 1.5845       5
                                                 1.6206       6
                                                 1.6179       6
    4    O                   3.264       11
                                                 2.7253       5
                                                 2.4506       4
                                                 2.8634       4
                                                 2.8634       4
                                                 2.6136       4
                                                 2.7113       5
                                                 2.6117       5
                                                 2.6321       6
                                                 3.0538       5
                                                 2.6408       5
                                                 2.6169       6
    5    O                   3.264       13
                                                 2.7253       4
                                                 2.7993       6
                                                 3.2209       6
                                                 2.7892       5
                                                 2.7113       4
                                                 3.2571       6
                                                 2.6117       4
                                                 2.5747       6
                                                 3.0538       4
                                                 2.6408       4
                                                 3.1959       5
                                                 3.2154       5
                                                 2.6279       6
    6    O                   3.264       11
                                                 2.7993       5
                                                 2.5961       6
                                                 3.2209       5
                                                 2.5522       6
                                                 2.5522       6
                                                 3.0795       6
                                                 3.2571       5
                                                 2.6321       4
                                                 2.5747       5
                                                 2.6169       4
                                                 2.6279       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  7.317  14.633   0.083  120.36    4       11.9       49.1
    2   2   0   0 10.1    20.2     0.114   62.12    2       11.0       10.8
    3   1   1  -1 10.53   21.06    0.119   56.98    4       26.6      117.1
    4   0   2   0 10.645  21.29    0.12    55.71    2       54.1      236.1
    5   1   1   1 12.814  25.628   0.144   37.8     4       10.5       12.1
    6   0   2   1 14.081  28.163   0.158   30.95    4       39.8      141.6
    7   2   2   0 14.756  29.512   0.165   28.01    4       32.6       85.9
    8   2   2  -1 15.802  31.604   0.177   24.18    4      125.5     1102.3
    9   3   1   0 16.188  32.377   0.181   22.95    4       86.1      492.0
   10   3   1  -1 16.336  32.672   0.183   22.51    4       71.4      332.3
   11   1   3   0 16.895  33.79    0.189   20.92    4        6.5        2.6
   12   2   0  -2 18.384  36.768   0.205   17.39    2       56.3       79.9
   13   0   0   2 18.463  36.927   0.206   17.23    2      138.9      481.4
   14   1   1  -2 18.504  37.008   0.206   17.15    4        5.8        1.7
   15   1   3  -1 18.591  37.182   0.207   16.97    4       73.0      261.5
   16   2   2   1 18.976  37.953   0.211   16.22    4      102.8      496.3
   17   1   3   1 20.04   40.081   0.222   14.37    4       25.1       26.3
   18   4   0   0 20.532  41.065   0.228   13.62    2        8.9        1.6
   19   3   1   1 20.833  41.667   0.231   13.18    4       70.5      189.8
   20   3   1  -2 21.189  42.379   0.235   12.69    4        1.2        0.1
   21   1   1   2 21.33   42.66    0.236   12.5     4       72.2      188.9
   22   2   2  -2 21.438  42.876   0.237   12.36    4       11.6        4.8
   23   0   2   2 21.508  43.016   0.238   12.27    4       50.5       90.5
   24   0   4   0 21.681  43.362   0.24    12.05    2       17.3        5.2
   25   3   3   0 22.461  44.923   0.248   11.13    4       54.7       96.3
   26   3   3  -1 22.573  45.147   0.249   11.01    4       72.1      165.6
   27   4   2  -1 22.837  45.673   0.252   10.72    4       51.6       82.6
   28   4   2   0 23.354  46.707   0.257   10.19    4       14.4        6.1
   29   4   0  -2 23.589  47.179   0.26     9.96    2       85.3      105.0
   30   0   4   1 23.7    47.4     0.261    9.86    4       93.1      247.4
   31   2   0   2 23.783  47.567   0.262    9.78    2       60.3       51.4
   32   2   4   0 24.139  48.278   0.265    9.45    4       12.4        4.2
   33   1   3  -2 24.271  48.542   0.267    9.34    4       51.5       71.7
   34   2   4  -1 24.844  49.687   0.273    8.86    4       45.8       53.7
   35   5   1  -1 25.573  51.147   0.28     8.29    4       36.4       31.7
   36   4   2  -2 26.152  52.304   0.286    7.88    4       36.9       31.1
   37   3   3   1 26.186  52.372   0.286    7.86    4       12.8        3.7
   38   2   2   2 26.332  52.664   0.288    7.76    4       23.0       11.9
   39   3   3  -2 26.485  52.971   0.289    7.65    4       11.6        3.0
   40   1   3   2 26.604  53.209   0.291    7.58    4       30.1       19.8
   41   5   1   0 26.618  53.236   0.291    7.57    4       57.8       73.1
   42   2   4   1 27.141  54.283   0.296    7.24    4       25.1       13.2
   43   4   2   1 27.541  55.082   0.3      7.0     4        9.5        1.8
   44   1   1  -3 27.847  55.695   0.303    6.83    4       14.2        4.0
   45   1   5   0 28.037  56.075   0.305    6.73    4       66.9       87.1
   46   5   1  -2 28.115  56.231   0.306    6.68    4       40.3       31.5
   47   3   1   2 28.344  56.688   0.308    6.56    4       39.2       29.2
   48   3   1  -3 28.816  57.633   0.313    6.32    4       65.0       77.3
   49   2   4  -2 29.062  58.123   0.315    6.2     4       14.6        3.8
   50   0   4   2 29.118  58.235   0.316    6.17    4       72.8       94.6
   51   1   5  -1 29.208  58.416   0.317    6.13    4       35.9       22.8
   52   2   2  -3 29.546  59.092   0.32     5.97    4      107.0      197.9
   53   4   4  -1 30.197  60.395   0.326    5.69    4       21.5        7.6
   54   1   5   1 30.258  60.517   0.327    5.66    4        7.2        0.8
   55   5   3  -1 30.302  60.604   0.328    5.65    4      112.0      205.1
   56   4   4   0 30.625  61.249   0.331    5.51    4       78.7       99.0
   57   0   2   3 30.644  61.287   0.331    5.51    4        7.6        0.9
   58   5   1   1 31.002  62.004   0.334    5.37    4       23.3        8.4
   59   1   1   3 31.02   62.04    0.335    5.36    4       19.1        5.7
   60   5   3   0 31.241  62.482   0.337    5.28    4       41.7       26.6
   61   6   0   0 31.742  63.485   0.342    5.1     2       71.3       37.4
   62   6   0  -2 32.096  64.193   0.345    4.97    2      105.4       80.0
   63   3   5   0 32.104  64.209   0.345    4.97    4       80.2       92.6
   64   3   5  -1 32.193  64.385   0.346    4.94    4        6.7        0.6
   65   1   3  -3 32.358  64.715   0.347    4.89    4      110.9      173.8
   66   4   0   2 32.36   64.72    0.347    4.89    2      108.9       83.8
   67   4   2  -3 32.46   64.919   0.348    4.85    4       25.4        9.0
   68   6   2  -1 32.494  64.989   0.349    4.84    4       43.8       26.9
   69   5   3  -2 32.603  65.206   0.35     4.81    4       20.8        6.0
   70   3   3   2 32.812  65.625   0.352    4.74    4        8.5        1.0
   71   4   4  -2 33.0    66.0     0.354    4.68    4       10.5        1.5
   72   2   4   2 33.156  66.312   0.355    4.64    4       36.6       17.9
   73   3   3  -3 33.247  66.493   0.356    4.61    4       13.8        2.5
   74   1   5  -2 33.551  67.102   0.359    4.52    4        5.7        0.4
   75   0   6   0 33.653  67.306   0.36     4.49    2       97.5       61.8
   76   5   1  -3 33.707  67.414   0.36     4.48    4       39.2       19.9
   77   6   2   0 33.889  67.778   0.362    4.43    4       13.7        2.4
   78   4   4   1 34.214  68.427   0.365    4.34    4        9.1        1.0
   79   6   2  -2 34.231  68.463   0.365    4.34    4       29.1       10.6
   80   4   2   2 34.487  68.974   0.368    4.27    4       62.8       48.8
   81   3   5   1 35.136  70.271   0.374    4.11    4       16.1        3.1
   82   0   6   1 35.193  70.387   0.374    4.1     4       53.8       34.4
   83   5   3   1 35.277  70.554   0.375    4.08    4      142.4      239.6
   84   1   3   3 35.294  70.588   0.375    4.08    4       15.7        2.9
   85   3   5  -2 35.388  70.777   0.376    4.05    4      118.5      164.9
   86   1   5   2 35.489  70.978   0.377    4.03    4       36.2       15.3
   87   2   6   0 35.538  71.076   0.377    4.02    4       26.5        8.2
   88   2   2   3 35.543  71.085   0.377    4.02    4       84.0       82.1
   89   2   4  -3 36.002  72.005   0.382    3.92    4       67.2       51.3
   90   2   6  -1 36.098  72.197   0.382    3.9     4       31.5       11.2
   91   7   1  -1 36.575  73.15    0.387    3.8     4       23.0        5.8
   92   0   4   3 36.998  73.997   0.391    3.72    4       30.5       10.0
   93   2   0  -4 37.392  74.784   0.394    3.65    2       17.3        1.6
   94   3   1   3 37.729  75.459   0.397    3.59    4       29.4        9.0
   95   7   1  -2 37.762  75.524   0.398    3.58    4      107.6      120.2
   96   5   3  -3 37.833  75.666   0.398    3.57    4       67.8       47.5
   97   2   6   1 37.981  75.961   0.399    3.55    4        1.2        0.0
   98   5   1   2 38.057  76.113   0.4      3.53    4       42.9       18.9
   99   6   2   1 38.255  76.509   0.402    3.5     4       64.4       42.0
  100   3   1  -4 38.302  76.604   0.402    3.5     4       89.0       80.1
  101   7   1   0 38.367  76.734   0.403    3.48    4       43.9       19.4
  102   1   1  -4 38.4    76.8     0.403    3.48    4       54.8       30.2
  103   4   4  -3 38.67   77.34    0.406    3.44    4       15.1        2.3
  104   6   4  -1 38.702  77.404   0.406    3.43    4        9.5        0.9
  105   5   5  -1 38.708  77.416   0.406    3.43    4       17.4        3.0
  106   6   2  -3 38.906  77.812   0.408    3.4     4        1.0        0.0
  107   4   0  -4 39.107  78.213   0.409    3.37    2       55.1       14.8
  108   0   0   4 39.301  78.602   0.411    3.35    2      104.0       52.3
  109   2   2  -4 39.401  78.801   0.412    3.33    4        0.9        0.0
  110   5   5   0 39.551  79.102   0.413    3.31    4       28.1        7.6
  111   2   6  -2 39.614  79.229   0.414    3.3     4       62.3       37.1
  112   0   6   2 39.663  79.326   0.414    3.3     4       99.6       94.6
  113   6   4   0 40.005  80.011   0.417    3.25    4       15.0        2.1
  114   6   4  -2 40.328  80.655   0.42     3.21    4       24.0        5.3
  115   1   5  -3 40.566  81.133   0.422    3.19    4       14.4        1.9
  116   4   4   2 40.569  81.137   0.422    3.19    4       47.5       20.8
  117   7   3  -1 40.588  81.177   0.422    3.18    4       53.9       26.8
  118   4   6  -1 40.605  81.21    0.422    3.18    4       18.0        3.0
  119   1   7   0 40.726  81.451   0.424    3.17    4       36.1       11.9
  120   5   5  -2 40.791  81.582   0.424    3.16    4        6.3        0.4
  121   4   6   0 40.982  81.964   0.426    3.14    4       21.3        4.1
  122   3   5   2 40.983  81.967   0.426    3.14    4      112.9      115.9
  123   4   2  -4 41.091  82.182   0.427    3.13    4       20.2        3.7
  124   0   2   4 41.283  82.566   0.428    3.11    4       20.9        3.9
  125   3   5  -3 41.384  82.768   0.429    3.1     4       11.0        1.1
  126   2   4   3 41.57   83.141   0.431    3.08    4        7.7        0.5
  127   3   3   3 41.71   83.42    0.432    3.07    4        4.9        0.2
  128   1   7  -1 41.718  83.437   0.432    3.06    4       47.1       19.7
  129   7   3  -2 41.742  83.484   0.432    3.06    4       19.3        3.3
  130   5   1  -4 41.785  83.57    0.433    3.06    4        1.5        0.0
  131   7   1  -3 41.849  83.698   0.433    3.05    4       26.2        6.1
  132   5   3   2 42.029  84.058   0.435    3.04    4       27.0        6.4
  133   1   1   4 42.072  84.145   0.435    3.03    4        2.5        0.1
  134   3   3  -4 42.269  84.538   0.437    3.01    4       25.2        5.5
  135   7   3   0 42.332  84.664   0.437    3.01    4       27.0        6.3
  136   1   3  -4 42.364  84.729   0.437    3.01    4       13.3        1.5
  137   1   7   1 42.628  85.256   0.44     2.98    4       58.7       29.7
  138   7   1   1 43.028  86.056   0.443    2.95    4       10.9        1.0
  139   8   0  -2 43.051  86.103   0.443    2.95    2       10.7        0.5
  140   4   6  -2 43.121  86.243   0.444    2.94    4        5.1        0.2
  141   2   6   2 43.264  86.529   0.445    2.93    4        8.5        0.6
  142   5   5   1 43.281  86.563   0.445    2.93    4       29.7        7.5
  143   1   5   3 43.298  86.595   0.445    2.93    4       36.8       11.5
  144   6   0   2 43.385  86.771   0.446    2.93    2        3.5        0.1
  145   4   2   3 43.714  87.428   0.449    2.9     4       22.6        4.3
  146   6   4   1 44.182  88.363   0.452    2.87    4       14.9        1.9
  147   4   6   1 44.242  88.483   0.453    2.87    4        7.0        0.4
  148   3   7   0 44.265  88.531   0.453    2.87    4       13.4        1.5
  149   8   2  -1 44.317  88.635   0.453    2.87    4       48.1       19.2
  150   6   0  -4 44.339  88.678   0.454    2.86    2      116.5       56.2
  151   3   7  -1 44.345  88.69    0.454    2.86    4       17.2        2.4
  152   8   0   0 44.545  89.09    0.455    2.85    2       62.8       16.3
  153   2   0   4 44.72   89.44    0.457    2.84    2        3.2        0.0
  154   6   4  -3 44.817  89.634   0.458    2.84    4       49.5       20.1


  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   7.317  14.633  6.04839       49.1      4.5      4.5     5.6
    2   1   1  -1  10.53   21.06   4.21498      117.1     10.6     10.7     5.6
    3   0   2   0  10.645  21.29   4.17         236.1     21.4     21.6     5.6
    4   1   1   1  12.814  25.628  3.47307       12.1      1.1      1.1     5.6
    5   0   2   1  14.081  28.163  3.16595      141.6     12.8     12.9     5.6
    6   2   2   0  14.756  29.512  3.0242        85.9      7.8      7.8     5.6
    7   2   2  -1  15.802  31.604  2.82861     1102.3    100.0    100.0     5.6
    8   3   1   0  16.188  32.377  2.7629       492.0     44.6     44.6     5.6
    9   3   1  -1  16.336  32.672  2.73859      332.3     30.2     30.1     5.6
   10   2   0  -2  18.384  36.768  2.44236       79.9      7.3      7.2     5.7
   11   0   0   2  18.463  36.927  2.43223      481.4     43.7     43.5     5.7
   12   1   3  -1  18.591  37.182  2.41611      261.5     23.7     23.6     5.7
   13   2   2   1  18.976  37.953  2.36878      496.3     45.0     44.8     5.7
   14   1   3   1  20.04   40.081  2.24779       26.3      2.4      2.4     5.7
   15   3   1   1  20.833  41.667  2.16582      189.8     17.2     17.1     5.7
   16   1   1   2  21.33   42.66   2.11765      188.9     17.1     17.0     5.7
   17   0   2   2  21.508  43.016  2.10097       90.5      8.2      8.1     5.7
   18   3   3   0  22.461  44.923  2.01613       96.3      8.7      8.6     5.7
   19   3   3  -1  22.573  45.147  2.00663      165.6     15.0     14.8     5.7
   20   4   2  -1  22.837  45.673  1.98472       82.6      7.5      7.4     5.7
   21   4   0  -2  23.589  47.179  1.92484      105.0      9.5      9.4     5.7
   22   0   4   1  23.7    47.4    1.91638      247.4     22.4     22.1     5.7
   23   2   0   2  23.783  47.567  1.91003       51.4      4.7      4.6     5.7
   24   1   3  -2  24.271  48.542  1.87391       71.7      6.5      6.4     5.7
   25   2   4  -1  24.844  49.687  1.83337       53.7      4.9      4.8     5.7
   26   5   1  -1  25.573  51.147  1.78444       31.7      2.9      2.8     5.8
   27   4   2  -2  26.152  52.304  1.74764       31.1      2.8      2.8     5.8
   28   2   2   2  26.332  52.664  1.73653       11.9      1.1      1.1     5.8
   29   5   1   0  26.618  53.236  1.71922       92.9      8.4      8.2     5.8
   30   2   4   1  27.141  54.283  1.68852       13.2      1.2      1.2     5.8
   31   1   5   0  28.037  56.075  1.63872       87.1      7.9      7.7     5.8
   32   5   1  -2  28.115  56.231  1.63455       31.5      2.9      2.8     5.8
   33   3   1   2  28.344  56.688  1.62245       29.2      2.7      2.6     5.8
   34   3   1  -3  28.816  57.633  1.59807       77.3      7.0      6.8     5.8
   35   0   4   2  29.118  58.235  1.58297       94.6      8.6      8.3     5.8
   36   1   5  -1  29.208  58.416  1.57851       22.8      2.1      2.0     5.8
   37   2   2  -3  29.546  59.092  1.56206      197.9     18.0     17.4     5.8
   38   5   3  -1  30.302  60.604  1.52665      205.1     18.6     18.0     5.8
   39   4   4   0  30.625  61.249  1.5121        99.9      9.1      8.8     5.8
   40   5   1   1  31.002  62.004  1.49549       14.1      1.3      1.2     5.8
   41   5   3   0  31.241  62.482  1.4852        26.6      2.4      2.3     5.8
   42   6   0   0  31.742  63.485  1.46413       37.4      3.4      3.3     5.9
   43   3   5   0  32.104  64.209  1.44936      172.6     15.7     15.1     5.9
   44   1   3  -3  32.358  64.715  1.43923      257.7     23.4     22.5     5.9
   45   6   2  -1  32.494  64.989  1.43383       26.9      2.4      2.3     5.9
   46   2   4   2  33.156  66.312  1.4084        17.9      1.6      1.6     5.9
   47   0   6   0  33.653  67.306  1.39          61.8      5.6      5.4     5.9
   48   5   1  -3  33.707  67.414  1.38802       19.9      1.8      1.7     5.9
   49   6   2  -2  34.231  68.463  1.3693        11.7      1.1      1.0     5.9
   50   4   2   2  34.487  68.974  1.36039       48.8      4.4      4.2     5.9
   51   0   6   1  35.193  70.387  1.33651       34.4      3.1      3.0     5.9
   52   5   3   1  35.277  70.554  1.33375      242.5     22.0     20.9     5.9
   53   3   5  -2  35.388  70.777  1.3301       164.9     15.0     14.2     5.9
   54   1   5   2  35.489  70.978  1.32682       15.3      1.4      1.3     5.9
   55   2   2   3  35.543  71.085  1.32508       90.3      8.2      7.8     5.9
   56   2   4  -3  36.002  72.005  1.3104        51.3      4.7      4.4     5.9
   57   2   6  -1  36.098  72.197  1.30739       11.2      1.0      1.0     5.9
   58   7   1  -2  37.762  75.524  1.25784      120.2     10.9     10.3     6.0
   59   5   3  -3  37.833  75.666  1.25584       47.5      4.3      4.1     6.0
   60   5   1   2  38.057  76.113  1.24956       18.9      1.7      1.6     6.0
   61   6   2   1  38.255  76.509  1.24408       42.0      3.8      3.6     6.0
   62   3   1  -4  38.302  76.604  1.24277       80.1      7.3      6.8     6.0
   63   7   1   0  38.367  76.734  1.24099       19.4      1.8      1.7     6.0
   64   1   1  -4  38.4    76.8    1.24009       30.2      2.7      2.6     6.0
   65   4   0  -4  39.107  78.213  1.22118       14.8      1.3      1.3     6.0
   66   0   0   4  39.301  78.602  1.21611       52.3      4.7      4.4     6.0
   67   2   6  -2  39.614  79.229  1.20806       37.1      3.4      3.2     6.0
   68   0   6   2  39.663  79.326  1.20682       94.6      8.6      8.0     6.0
   69   7   3  -1  40.588  81.177  1.18392       52.5      4.8      4.4     6.1
   70   1   7   0  40.726  81.451  1.18062       11.9      1.1      1.0     6.1
   71   3   5   2  40.983  81.967  1.17449      120.0     10.9     10.1     6.1
   72   1   7  -1  41.718  83.437  1.1575        23.0      2.1      1.9     6.1
   73   1   7   1  42.628  85.256  1.13739       29.7      2.7      2.5     6.1
   74   1   5   3  43.298  86.595  1.12321       19.0      1.7      1.6     6.1
   75   6   0  -4  44.339  88.678  1.10213       77.9      7.1      6.5     6.2
   76   8   0   0  44.545  89.09   1.09809       16.3      1.5      1.3     6.2
   77   6   4  -3  44.817  89.634  1.09284       20.1      1.8      1.7     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)