Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

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          ***      W W W - X R A Y P O L       ***
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JADEITE

14, t-diopside, syn, at 3.14 GPa, f-pyroxenes, sf-Ca-Na-pyroxenes, s-aegirine

NaAlSi(2)O(6)


Monoclinic  C 2/c  Z = 4

C2/c

27 .4 .9

Ref.Str.:

         Nestola F., Ballaran T.B., Liebske C., Thompson R., Downs R.T. (2008)

         * Amer. Mineral., 93, 1005-1013

         R: Structure data and U(ij) for all spacimens from 0.001 GPa upto 8.31 GPa

         see in the original.    N.A.D.

                   Initial data from BDM-file 

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

             a =   9.3488   alpha =   90.0 
             b =   8.5013   beta  =  107.35
             c =   5.1856   gamma =   90.0 

    Unit cell volume (cub. angs.) =   393.39

    Molar volume ( cub.cm/mol.) =    59.24

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

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

   1 0.0     0.3019  0.25     0.0    Na    = 1.00
   2 0.0     0.9076  0.25     0.0    Al    = 1.00
   3 0.2905  0.0941  0.2288   0.0    Si    = 1.00
   4 0.109   0.0782  0.1291   0.0    O     = 1.00
   5 0.3603  0.2652  0.2976   0.0    O     = 1.00
   6 0.3555  0.0099  0.0052   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.3019     0.25  
     2       2     0.0        0.9076     0.25  
     3       3     0.2905     0.0941     0.2288
     4       4     0.109      0.0782     0.1291
     5       5     0.3603     0.2652     0.2976
     6       6     0.3555     0.0099     0.0052
     7       1     0.0        0.6981     0.75  
     8       2     0.0        0.0924     0.75  
     9       3     0.7095     0.9059     0.7712
    10       4     0.891      0.9218     0.8709
    11       5     0.6397     0.7348     0.7024
    12       6     0.6445     0.9901     0.9948
    13       3     0.2905     0.9059     0.7288
    14       4     0.109      0.9218     0.6291
    15       5     0.3603     0.7348     0.7976
    16       6     0.3555     0.9901     0.5052
    17       3     0.7095     0.0941     0.2712
    18       4     0.891      0.0782     0.3709
    19       5     0.6397     0.2652     0.2024
    20       6     0.6445     0.0099     0.4948
    21       1     0.5        0.1981     0.75  
    22       2     0.5        0.5924     0.75  
    23       3     0.7905     0.4059     0.7288
    24       4     0.609      0.4218     0.6291
    25       5     0.8603     0.2348     0.7976
    26       6     0.8555     0.4901     0.5052
    27       1     0.5        0.8019     0.25  
    28       2     0.5        0.4076     0.25  
    29       3     0.2095     0.5941     0.2712
    30       4     0.391      0.5782     0.3709
    31       5     0.1397     0.7652     0.2024
    32       6     0.1445     0.5099     0.4948
    33       3     0.7905     0.5941     0.2288
    34       4     0.609      0.5782     0.1291
    35       5     0.8603     0.7652     0.2976
    36       6     0.8555     0.5099     0.0052
    37       3     0.2095     0.4059     0.7712
    38       4     0.391      0.4218     0.8709
    39       5     0.1397     0.2348     0.7024
    40       6     0.1445     0.4901     0.9948


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

MU (1/cm) =     109.901    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
                                                 2.33         4
                                                 2.33         4
                                                 2.3891       5
                                                 2.6837       6
                                                 2.3539       6
                                                 2.3539       6
                                                 2.3891       5
                                                 2.6837       6
    2    Al                  2.316        6
                                                 1.9788       4
                                                 1.9295       4
                                                 1.9295       4
                                                 1.9788       4
                                                 1.8505       5
                                                 1.8505       5
    3    Si                  2.1          4
                                                 1.6253       4
                                                 1.5906       5
                                                 1.6267       6
                                                 1.6389       6
    4    O                   3.264       11
                                                 2.7543       5
                                                 2.635        6
                                                 2.4672       4
                                                 2.9138       4
                                                 2.9138       4
                                                 2.6449       6
                                                 2.6925       4
                                                 2.7839       5
                                                 2.6911       5
                                                 3.1913       5
                                                 2.6701       5
    5    O                   3.264       10
                                                 2.7543       4
                                                 2.6403       6
                                                 2.5806       6
                                                 2.7992       5
                                                 2.7839       4
                                                 2.6911       4
                                                 3.1913       4
                                                 2.6701       4
                                                 3.1703       5
                                                 2.8814       6
    6    O                   3.264        9
                                                 2.635        4
                                                 2.6403       5
                                                 2.7236       6
                                                 2.6449       4
                                                 2.5806       5
                                                 2.5983       6
                                                 2.5983       6
                                                 3.1073       6
                                                 2.8814       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  7.189  14.378   0.081  124.75    4       13.0       54.7
    2   2   0   0  9.941  19.882   0.112   64.19    2       13.7       15.6
    3   1   1  -1 10.283  20.567   0.116   59.85    4       28.9      129.1
    4   0   2   0 10.441  20.881   0.118   58.0     2       54.8      225.1
    5   1   1   1 12.64   25.281   0.142   38.9     4       10.6       11.3
    6   0   2   1 13.819  27.639   0.155   32.21    4       42.6      150.9
    7   2   2   0 14.494  28.989   0.162   29.1     4       38.4      111.0
    8   2   2  -1 15.436  30.872   0.173   25.43    4      131.2     1131.5
    9   3   1   0 15.923  31.847   0.178   23.79    4       89.2      489.3
   10   3   1  -1 15.944  31.888   0.178   23.72    4       72.4      320.9
   11   1   3   0 16.571  33.141   0.185   21.82    4        7.3        3.0
   12   2   0  -2 17.916  35.833   0.2     18.4     2       47.5       53.7
   13   1   1  -2 18.099  36.198   0.202   18.0     4       10.1        4.7
   14   0   0   2 18.134  36.268   0.202   17.92    2      142.2      468.1
   15   1   3  -1 18.199  36.399   0.203   17.78    4       69.5      221.8
   16   2   2   1 18.708  37.416   0.208   16.74    4       97.8      413.7
   17   1   3   1 19.694  39.388   0.219   14.94    4       19.8       15.1
   18   4   0   0 20.199  40.397   0.224   14.12    2        6.7        0.8
   19   3   1   1 20.576  41.151   0.228   13.55    4       70.9      176.0
   20   3   1  -2 20.625  41.25    0.229   13.48    4        2.8        0.3
   21   2   2  -2 20.918  41.836   0.232   13.06    4       12.7        5.5
   22   1   1   2 21.01   42.021   0.233   12.93    4       75.6      191.1
   23   0   2   2 21.109  42.219   0.234   12.8     4       56.4      105.3
   24   0   4   0 21.249  42.499   0.235   12.61    2        7.5        0.9
   25   3   3   0 22.051  44.101   0.244   11.6     4       53.4       85.6
   26   3   3  -1 22.066  44.133   0.244   11.58    4       73.0      159.6
   27   4   2  -1 22.32   44.64    0.247   11.29    4       50.5       74.5
   28   4   0  -2 22.947  45.894   0.253   10.6     2       80.0       87.7
   29   4   2   0 22.951  45.902   0.253   10.6     4       14.4        5.7
   30   0   4   1 23.23   46.46    0.256   10.31    4       94.1      235.9
   31   2   0   2 23.477  46.954   0.259   10.07    2       54.3       38.3
   32   2   4   0 23.669  47.337   0.261    9.89    4       11.3        3.2
   33   1   3  -2 23.749  47.497   0.261    9.81    4       44.1       49.4
   34   2   4  -1 24.301  48.602   0.267    9.31    4       51.4       63.6
   35   5   1  -1 25.004  50.007   0.274    8.73    4       34.5       26.9
   36   4   2  -2 25.464  50.927   0.279    8.37    4       38.4       31.9
   37   3   3   1 25.783  51.566   0.282    8.14    4       19.7        8.2
   38   3   3  -2 25.824  51.649   0.283    8.11    4       19.0        7.6
   39   2   2   2 25.955  51.91    0.284    8.02    4       23.9       11.8
   40   1   3   2 26.149  52.298   0.286    7.88    4       33.7       23.1
   41   5   1   0 26.168  52.336   0.286    7.87    4       61.0       75.7
   42   2   4   1 26.665  53.33    0.291    7.54    4       22.2        9.6
   43   4   2   1 27.156  54.311   0.296    7.23    4        9.9        1.8
   44   1   1  -3 27.246  54.491   0.297    7.18    4       21.2        8.3
   45   5   1  -2 27.363  54.726   0.298    7.11    4       34.4       21.7
   46   1   5   0 27.464  54.927   0.299    7.05    4       72.3       95.3
   47   3   1   2 27.985  55.971   0.305    6.75    4       39.2       26.8
   48   3   1  -3 28.051  56.102   0.305    6.72    4       68.2       80.7
   49   2   4  -2 28.384  56.769   0.309    6.54    4       20.1        6.8
   50   0   4   2 28.537  57.074   0.31     6.46    4       67.7       76.6
   51   1   5  -1 28.583  57.167   0.311    6.44    4       30.1       15.1
   52   2   2  -3 28.831  57.662   0.313    6.31    4      105.2      180.7
   53   4   4  -1 29.518  59.036   0.32     5.99    4       17.9        5.0
   54   5   3  -1 29.623  59.247   0.321    5.94    4      120.4      222.6
   55   1   5   1 29.663  59.325   0.321    5.92    4        6.7        0.7
   56   4   4   0 30.038  60.075   0.325    5.76    4       80.8       97.1
   57   0   2   3 30.052  60.105   0.325    5.75    4        9.3        1.3
   58   1   1   3 30.503  61.006   0.329    5.56    4       18.5        4.9
   59   5   1   1 30.575  61.151   0.33     5.53    4       22.1        7.0
   60   5   3   0 30.668  61.335   0.331    5.5     4       34.1       16.5
   61   6   0   0 31.192  62.385   0.336    5.29    2       72.5       35.9
   62   6   0  -2 31.241  62.482   0.337    5.28    2      100.1       68.4
   63   3   5   0 31.455  62.909   0.339    5.2     4       75.1       75.8
   64   3   5  -1 31.467  62.934   0.339    5.19    4        5.1        0.3
   65   4   2  -3 31.557  63.115   0.34     5.16    4       23.6        7.4
   66   1   3  -3 31.645  63.29    0.341    5.13    4      112.5      167.9
   67   5   3  -2 31.752  63.504   0.342    5.09    4       24.4        7.8
   68   6   2  -1 31.771  63.542   0.342    5.09    4       41.2       22.3
   69   4   0   2 31.958  63.916   0.344    5.02    2      111.0       79.9
   70   4   4  -2 32.162  64.325   0.346    4.95    4       13.5        2.3
   71   3   3   2 32.321  64.643   0.347    4.9     4        9.1        1.1
   72   3   3  -3 32.381  64.763   0.348    4.88    4       20.6        5.4
   73   2   4   2 32.587  65.174   0.35     4.81    4       34.9       15.1
   74   5   1  -3 32.728  65.455   0.351    4.77    4       33.8       14.1
   75   1   5  -2 32.806  65.612   0.352    4.74    4        6.1        0.5
   76   0   6   0 32.932  65.864   0.353    4.71    2      102.1       63.4
   77   6   2   0 33.278  66.556   0.356    4.6     4       13.5        2.2
   78   6   2  -2 33.325  66.65    0.357    4.59    4       35.0       14.5
   79   4   4   1 33.636  67.272   0.36     4.5     4       12.7        1.9
   80   4   2   2 34.019  68.037   0.363    4.39    4       65.5       48.7
   81   0   6   1 34.436  68.871   0.367    4.28    4       46.8       24.3
   82   3   5   1 34.483  68.967   0.368    4.27    4       23.1        5.9
   83   3   5  -2 34.518  69.036   0.368    4.26    4      122.5      165.3
   84   1   3   3 34.654  69.307   0.369    4.23    4       12.1        1.6
   85   5   3   1 34.721  69.442   0.37     4.21    4      140.9      216.2
   86   2   6   0 34.778  69.556   0.37     4.2     4       24.2        6.3
   87   1   5   2 34.792  69.584   0.37     4.2     4       38.3       15.9
   88   2   2   3 34.979  69.959   0.372    4.15    4       84.7       77.0
   89   2   4  -3 35.126  70.252   0.373    4.11    4       61.0       39.6
   90   2   6  -1 35.278  70.555   0.375    4.08    4       20.4        4.4
   91   7   1  -1 35.757  71.513   0.379    3.97    4       22.1        5.0
   92   0   4   3 36.23   72.459   0.384    3.87    4       30.9        9.6
   93   2   0  -4 36.463  72.927   0.386    3.82    2       21.0        2.2
   94   5   3  -3 36.749  73.498   0.388    3.77    4       70.5       48.3
   95   7   1  -2 36.753  73.506   0.388    3.77    4      110.6      119.0
   96   3   1   3 37.186  74.372   0.392    3.69    4       32.9       10.3
   97   2   6   1 37.203  74.406   0.392    3.68    4        4.0        0.1
   98   3   1  -4 37.265  74.53    0.393    3.67    4       94.7       85.1
   99   1   1  -4 37.53   75.06    0.395    3.62    4       51.0       24.4
  100   5   1   2 37.551  75.101   0.396    3.62    4       40.8       15.5
  101   4   4  -3 37.608  75.216   0.396    3.61    4       15.2        2.2
  102   7   1   0 37.661  75.322   0.397    3.6     4       44.5       18.4
  103   6   2   1 37.663  75.326   0.397    3.6     4       68.2       43.3
  104   6   2  -3 37.753  75.506   0.397    3.59    4        2.3        0.0
  105   5   5  -1 37.802  75.604   0.398    3.58    4       18.7        3.2
  106   6   4  -1 37.806  75.611   0.398    3.58    4       11.1        1.1
  107   4   0  -4 37.971  75.941   0.399    3.55    2       53.0       12.9
  108   2   2  -4 38.413  76.826   0.403    3.48    4        7.5        0.5
  109   0   0   4 38.497  76.994   0.404    3.46    2      109.9       54.1
  110   2   6  -2 38.656  77.313   0.405    3.44    4       65.2       37.8
  111   5   5   0 38.734  77.469   0.406    3.43    4       25.0        5.6
  112   0   6   2 38.787  77.575   0.407    3.42    4      110.4      107.8
  113   6   4   0 39.207  78.415   0.41     3.36    4       21.1        3.9
  114   6   4  -2 39.252  78.503   0.411    3.35    4       25.9        5.8
  115   1   5  -3 39.618  79.236   0.414    3.3     4       18.7        3.0
  116   4   6  -1 39.637  79.274   0.414    3.3     4       18.9        3.0
  117   7   3  -1 39.648  79.296   0.414    3.3     4       54.3       25.2
  118   5   5  -2 39.716  79.431   0.415    3.29    4        5.8        0.3
  119   1   7   0 39.799  79.598   0.415    3.28    4       31.8        8.6
  120   4   2  -4 39.895  79.791   0.416    3.27    4       13.3        1.5
  121   4   4   2 39.903  79.806   0.416    3.27    4       46.9       18.6
  122   4   6   0 40.092  80.185   0.418    3.24    4       25.5        5.4
  123   3   5   2 40.235  80.471   0.419    3.23    4      114.8      109.9
  124   3   5  -3 40.29   80.581   0.42     3.22    4       18.0        2.7
  125   0   2   4 40.415  80.829   0.421    3.2     4       14.4        1.7
  126   5   1  -4 40.499  80.999   0.422    3.19    4        8.5        0.6
  127   7   1  -3 40.574  81.149   0.422    3.19    4       23.1        4.4
  128   7   3  -2 40.612  81.225   0.423    3.18    4       21.5        3.8
  129   1   7  -1 40.741  81.481   0.424    3.17    4       51.9       22.1
  130   2   4   3 40.812  81.624   0.424    3.16    4       15.4        1.9
  131   3   3   3 41.033  82.066   0.426    3.13    4        1.6        0.0
  132   3   3  -4 41.11   82.219   0.427    3.13    4       29.0        6.8
  133   1   1   4 41.275  82.55    0.428    3.11    4        0.6        0.0
  134   1   3  -4 41.368  82.736   0.429    3.1     4       11.0        1.0
  135   5   3   2 41.388  82.776   0.429    3.1     4       21.8        3.8
  136   7   3   0 41.495  82.99    0.43     3.09    4       26.8        5.7
  137   1   7   1 41.667  83.333   0.432    3.07    4       56.1       24.9
  138   8   0  -2 41.876  83.751   0.433    3.05    2       19.9        1.6
  139   4   6  -2 41.99   83.979   0.434    3.04    4        5.9        0.3
  140   7   1   1 42.337  84.674   0.437    3.01    4       10.2        0.8
  141   2   6   2 42.376  84.751   0.437    3.0     4        8.4        0.5
  142   1   5   3 42.4    84.799   0.438    3.0     4       30.8        7.4
  143   5   5   1 42.463  84.926   0.438    3.0     4       24.5        4.7
  144   6   0   2 42.775  85.551   0.441    2.97    2        4.0        0.1
  145   6   0  -4 42.906  85.812   0.442    2.96    2      125.4       60.2
  146   4   2   3 43.057  86.115   0.443    2.95    4       25.1        4.8
  147   3   7   0 43.242  86.484   0.445    2.94    4       17.9        2.4
  148   3   7  -1 43.253  86.505   0.445    2.94    4       17.1        2.2
  149   8   2  -1 43.271  86.542   0.445    2.93    4       47.2       16.9
  150   4   6   1 43.338  86.677   0.445    2.93    4       10.5        0.8
  151   6   4   1 43.387  86.774   0.446    2.93    4       19.9        3.0
  152   6   4  -3 43.474  86.948   0.447    2.92    4       45.6       15.7
  153   8   0   0 43.674  87.347   0.448    2.91    2       63.6       15.2
  154   8   2  -2 43.763  87.526   0.449    2.9     4       26.3        5.2
  155   2   0   4 43.931  87.863   0.45     2.89    2        3.5        0.0
  156   2   4  -4 44.115  88.23    0.452    2.88    4       16.8        2.1
  157   5   3  -4 44.281  88.562   0.453    2.87    4       21.3        3.3
  158   7   3  -3 44.355  88.71    0.454    2.86    4       38.7       11.1
  159   5   5  -3 44.389  88.777   0.454    2.86    4       22.9        3.9
  160   1   7  -2 44.46   88.92    0.455    2.86    4       36.0        9.6
  161   6   2   2 44.659  89.318   0.456    2.85    4       33.9        8.5
  162   2   6  -3 44.728  89.456   0.457    2.84    4        3.1        0.1
  163   6   2  -4 44.789  89.579   0.457    2.84    4        7.6        0.4


  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   7.189  14.378  6.15523       54.7      4.8      4.9     5.6
    2   2   0   0   9.941  19.882  4.46184       15.6      1.4      1.4     5.6
    3   1   1  -1  10.283  20.567  4.31487      129.1     11.4     11.5     5.6
    4   0   2   0  10.441  20.881  4.25065      225.1     19.9     20.0     5.6
    5   1   1   1  12.64   25.281  3.51998       11.3      1.0      1.0     5.6
    6   0   2   1  13.819  27.639  3.22477      150.9     13.3     13.4     5.6
    7   2   2   0  14.494  28.989  3.07762      111.0      9.8      9.8     5.6
    8   2   2  -1  15.436  30.872  2.89405     1131.5    100.0    100.0     5.6
    9   3   1   0  15.923  31.847  2.80766      810.3     71.6     71.5     5.6
   10   2   0  -2  17.916  35.833  2.50393       53.7      4.7      4.7     5.7
   11   0   0   2  18.134  36.268  2.4749       468.1     41.4     41.2     5.7
   12   1   3  -1  18.199  36.399  2.46629      221.8     19.6     19.5     5.7
   13   2   2   1  18.708  37.416  2.40153      413.7     36.6     36.3     5.7
   14   1   3   1  19.694  39.388  2.28574       15.1      1.3      1.3     5.7
   15   3   1   1  20.576  41.151  2.19176      176.0     15.6     15.4     5.7
   16   1   1   2  21.01   42.021  2.14841      191.1     16.9     16.7     5.7
   17   0   2   2  21.109  42.219  2.13878      105.3      9.3      9.2     5.7
   18   3   3  -1  22.066  44.133  2.05037      245.2     21.7     21.4     5.7
   19   4   2  -1  22.32   44.64   2.02822       74.5      6.6      6.5     5.7
   20   4   0  -2  22.947  45.894  1.97567       93.4      8.3      8.1     5.7
   21   0   4   1  23.23   46.46   1.95291      235.9     20.9     20.5     5.7
   22   2   0   2  23.477  46.954  1.93351       38.3      3.4      3.3     5.7
   23   1   3  -2  23.749  47.497  1.91267       49.4      4.4      4.3     5.7
   24   2   4  -1  24.301  48.602  1.87175       63.6      5.6      5.5     5.7
   25   5   1  -1  25.004  50.007  1.8224        26.9      2.4      2.3     5.7
   26   4   2  -2  25.464  50.927  1.7916        31.9      2.8      2.8     5.8
   27   2   2   2  25.955  51.91   1.75999       11.8      1.0      1.0     5.8
   28   5   1   0  26.168  52.336  1.74666       98.8      8.7      8.5     5.8
   29   5   1  -2  27.363  54.726  1.67588       21.7      1.9      1.9     5.8
   30   1   5   0  27.464  54.927  1.67021       95.3      8.4      8.2     5.8
   31   3   1   2  27.985  55.971  1.64153       26.8      2.4      2.3     5.8
   32   3   1  -3  28.051  56.102  1.63801       80.7      7.1      6.9     5.8
   33   0   4   2  28.537  57.074  1.61238       76.6      6.8      6.6     5.8
   34   1   5  -1  28.583  57.167  1.61          15.1      1.3      1.3     5.8
   35   2   2  -3  28.831  57.662  1.59735      180.7     16.0     15.5     5.8
   36   5   3  -1  29.623  59.247  1.55833      222.6     19.7     19.1     5.8
   37   4   4   0  30.038  60.075  1.53881       98.4      8.7      8.4     5.8
   38   5   3   0  30.668  61.335  1.51018       16.5      1.5      1.4     5.8
   39   6   0   0  31.192  62.385  1.48728       35.9      3.2      3.1     5.8
   40   6   0  -2  31.241  62.482  1.48519       68.4      6.0      5.8     5.8
   41   3   5   0  31.455  62.909  1.47613       76.1      6.7      6.5     5.9
   42   1   3  -3  31.645  63.29   1.46816      167.9     14.8     14.3     5.9
   43   6   2  -1  31.771  63.542  1.46294       30.2      2.7      2.6     5.9
   44   4   0   2  31.958  63.916  1.45528       79.9      7.1      6.8     5.9
   45   2   4   2  32.587  65.174  1.43022       15.1      1.3      1.3     5.9
   46   5   1  -3  32.728  65.455  1.42474       14.1      1.2      1.2     5.9
   47   0   6   0  32.932  65.864  1.41688       63.4      5.6      5.4     5.9
   48   6   2  -2  33.325  66.65   1.40207       14.5      1.3      1.2     5.9
   49   4   2   2  34.019  68.037  1.37683       48.7      4.3      4.1     5.9
   50   0   6   1  34.436  68.871  1.36217       24.3      2.1      2.0     5.9
   51   3   5  -2  34.518  69.036  1.35931      165.3     14.6     13.9     5.9
   52   5   3   1  34.721  69.442  1.35236      216.2     19.1     18.2     5.9
   53   1   5   2  34.792  69.584  1.34996       22.3      2.0      1.9     5.9
   54   2   2   3  34.979  69.959  1.34363       77.0      6.8      6.5     5.9
   55   2   4  -3  35.126  70.252  1.33874       39.6      3.5      3.3     5.9
   56   7   1  -2  36.753  73.506  1.2873       167.3     14.8     14.0     6.0
   57   3   1  -4  37.265  74.53   1.27214       85.1      7.5      7.1     6.0
   58   1   1  -4  37.53   75.06   1.26446       39.9      3.5      3.3     6.0
   59   6   2   1  37.663  75.326  1.26065       61.7      5.5      5.1     6.0
   60   4   0  -4  37.971  75.941  1.25197       12.9      1.1      1.1     6.0
   61   0   0   4  38.497  76.994  1.23745       54.1      4.8      4.5     6.0
   62   2   6  -2  38.656  77.313  1.23314       37.8      3.3      3.1     6.0
   63   0   6   2  38.787  77.575  1.22963      107.8      9.5      8.9     6.0
   64   7   3  -1  39.648  79.296  1.2072        31.2      2.8      2.6     6.0
   65   4   4   2  39.903  79.806  1.20076       20.1      1.8      1.7     6.0
   66   3   5   2  40.235  80.471  1.19251      109.9      9.7      9.1     6.0
   67   1   7  -1  40.741  81.481  1.18026       22.1      2.0      1.8     6.1
   68   1   7   1  41.667  83.333  1.15867       24.9      2.2      2.0     6.1
   69   6   0  -4  42.906  85.812  1.13144       60.2      5.3      4.9     6.1
   70   8   2  -1  43.271  86.542  1.12376       21.5      1.9      1.7     6.1
   71   6   4  -3  43.474  86.948  1.11956       15.7      1.4      1.3     6.1
   72   8   0   0  43.674  87.347  1.11546       15.2      1.3      1.2     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)