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       ***
                  ***********************
DESCLOIZITE

5, t-descloizite, analogue

CdCoAsO(4)(OH)


Orthorhombic  P nam  Z = 4

R =0.0246          NR =606

11 .10 .17

Ref.Str.:

         T. Dzordzevic, U. Kolitsch, L. Nasadala (2016)

         * Amer. Mineral., 101, 1135-1149

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   7.548    alpha =   90.0 
             b =   8.729    beta  =   90.0 
             c =   6.056    gamma =   90.0 

    Unit cell volume (cub. angs.) =   399.01

    Molar volume ( cub.cm/mol.) =    60.08

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

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

   1 0.0     0.5     0.5      0.0    Co    = 1.00
   2 0.1285  0.1744  0.25     0.0    Cd    = 1.00
   3 0.1292  0.8276  0.25     0.0    As    = 1.00
   4 0.8794  0.2786  0.517    0.0    O     = 1.00
   5 0.9675  0.9582  0.25     0.0    O     = 1.00
   6 0.3121  0.9424  0.25     0.0    O     = 1.00
   7 0.1426  0.4209  0.25     0.0    O     = 1.00
   8 0.253   0.455   0.25     0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.5        0.5   
     2       2     0.1285     0.1744     0.25  
     3       3     0.1292     0.8276     0.25  
     4       4     0.8794     0.2786     0.517 
     5       5     0.9675     0.9582     0.25  
     6       6     0.3121     0.9424     0.25  
     7       7     0.1426     0.4209     0.25  
     8       8     0.253      0.455      0.25  
     9       2     0.8715     0.8256     0.75  
    10       3     0.8708     0.1724     0.75  
    11       4     0.1206     0.7214     0.483 
    12       5     0.0325     0.0418     0.75  
    13       6     0.6879     0.0576     0.75  
    14       7     0.8574     0.5791     0.75  
    15       8     0.747      0.545      0.75  
    16       1     0.5        0.0        0.5   
    17       2     0.6285     0.3256     0.25  
    18       3     0.6292     0.6724     0.25  
    19       4     0.3794     0.2214     0.517 
    20       5     0.4675     0.5418     0.25  
    21       6     0.8121     0.5576     0.25  
    22       7     0.6426     0.0791     0.25  
    23       8     0.753      0.045      0.25  
    24       2     0.3715     0.6744     0.75  
    25       3     0.3708     0.3276     0.75  
    26       4     0.6206     0.7786     0.483 
    27       5     0.5325     0.4582     0.75  
    28       6     0.1879     0.4424     0.75  
    29       7     0.3574     0.9209     0.75  
    30       8     0.247      0.955      0.75  
    31       1     0.0        0.5        0.0   
    32       4     0.1206     0.7214     0.017 
    33       4     0.8794     0.2786     0.983 
    34       1     0.5        0.0        0.0   
    35       4     0.6206     0.7786     0.017 
    36       4     0.3794     0.2214     0.983 


X-ray density (g/cm cub.)   =      5.45

MU (1/cm) =     858.344    Mass attenuation coefficient (cm**2/g) =    157.611

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

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

    1    Co                  2.568        6
                                                 2.1387       4
                                                 1.9818       7
                                                 2.1387       4
                                                 1.9818       7
                                                 2.1346       6
                                                 2.1346       6
    2    Cd                  2.82         7
                                                 2.6415       4
                                                 2.2445       5
                                                 2.4537       6
                                                 2.1545       7
                                                 2.5237       4
                                                 2.6415       4
                                                 2.5237       4
    3    As                  2.46         4
                                                 1.6701       5
                                                 1.7059       6
                                                 1.6896       4
                                                 1.6896       4
    4    O                   3.264        9
                                                 2.8468       7
                                                 2.7566       5
                                                 2.7932       6
                                                 2.9831       7
                                                 2.9671       6
                                                 2.9735       7
                                                 3.0753       6
                                                 2.8221       4
                                                 3.2339       4
    5    O                   3.264        6
                                                 2.6047       6
                                                 2.7566       4
                                                 3.1531       5
                                                 3.1531       5
                                                 2.6698       7
                                                 2.7566       4
    6    O                   3.264       10
                                                 2.6047       5
                                                 2.7932       4
                                                 2.9671       4
                                                 2.7653       7
                                                 3.0753       4
                                                 3.053        7
                                                 3.053        7
                                                 2.7932       4
                                                 3.0753       4
                                                 2.9671       4
    7    O                   3.264       10
                                                 2.8468       4
                                                 2.9831       4
                                                 2.9735       4
                                                 2.6698       5
                                                 2.7653       6
                                                 3.053        6
                                                 3.053        6
                                                 2.9831       4
                                                 2.8468       4
                                                 2.9735       4
    8    H                   1.632        1
                                                 0.8849       7

  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  7.754  15.507   0.088  106.93    4        1.5        0.6
    2   0   1   1  8.906  17.811   0.1     80.52    4       45.8      424.9
    3   0   2   0 10.165  20.33    0.115   61.3     2       68.8      364.6
    4   1   1   1 10.685  21.371   0.12    55.27    8       92.3     2366.5
    5   1   2   0 11.763  23.527   0.132   45.24    4       13.3       20.1
    6   2   0   0 11.777  23.554   0.132   45.13    2       70.8      284.1
    7   2   1   0 12.848  25.696   0.144   37.59    4       22.4       47.5
    8   1   2   1 13.904  27.808   0.156   31.8     8       13.7       29.8
    9   2   0   1 13.915  27.831   0.156   31.74    4      276.2     6082.0
   10   0   0   2 14.737  29.474   0.165   28.09    2      219.6     1702.3
   11   2   1   1 14.843  29.686   0.166   27.66    8        4.8        3.2
   12   2   2   0 15.654  31.308   0.175   24.68    4       84.4      441.8
   13   1   3   0 16.482  32.965   0.184   22.07    4      228.2     2887.5
   14   1   1   2 16.735  33.47    0.187   21.36    8      167.1     2997.8
   15   0   3   1 17.08   34.159   0.191   20.43    4       19.7       19.9
   16   2   2   1 17.356  34.711   0.194   19.73    8      160.9     2567.1
   17   0   2   2 18.036  36.072   0.201   18.14    4      129.5      764.1
   18   1   3   1 18.115  36.23    0.202   17.97    8      178.2     2867.7
   19   3   1   0 18.579  37.159   0.207   16.99    4      103.2      455.1
   20   1   2   2 19.026  38.052   0.212   16.13    8        6.7        3.6
   21   2   0   2 19.035  38.07    0.212   16.11    4       90.0      327.8
   22   2   3   0 19.528  39.057   0.217   15.22    4       66.0      166.4
   23   2   1   2 19.747  39.494   0.219   14.85    8      106.3      843.8
   24   3   1   1 20.064  40.128   0.223   14.33    8       48.6      170.3
   25   0   4   0 20.669  41.339   0.229   13.41    2       23.5        9.3
   26   3   2   0 20.694  41.388   0.229   13.38    4       43.8       64.4
   27   2   3   1 20.956  41.913   0.232   13.01    8        5.8        2.2
   28   1   4   0 21.557  43.115   0.239   12.21    4       85.3      223.4
   29   2   2   2 21.767  43.534   0.241   11.95    8       59.5      212.2
   30   3   2   1 22.06   44.12    0.244   11.59    8       35.8       74.7
   31   1   3   2 22.4    44.799   0.247   11.2     8       99.9      562.1
   32   1   4   1 22.881  45.763   0.252   10.67    8       56.3      169.7
   33   0   1   3 23.057  46.114   0.254   10.49    4       54.7       79.0
   34   1   1   3 23.874  47.748   0.263    9.69    8       77.4      291.9
   35   3   3   0 23.875  47.749   0.263    9.69    4      115.8      326.6
   36   3   1   2 24.061  48.122   0.265    9.52    8       26.1       32.5
   37   2   4   0 24.063  48.125   0.265    9.52    4       79.2      150.2
   38   4   0   0 24.092  48.184   0.265    9.5     2      204.1      497.0
   39   4   1   0 24.685  49.37    0.271    8.99    4       13.1        3.9
   40   2   3   2 24.839  49.677   0.273    8.86    8        6.7        2.0
   41   3   3   1 25.103  50.207   0.275    8.65    8      157.0     1070.8
   42   2   4   1 25.285  50.569   0.277    8.51    8       87.1      324.6
   43   4   0   1 25.313  50.626   0.278    8.49    4       23.9       12.1
   44   1   2   3 25.634  51.269   0.281    8.25    8        9.9        4.0
   45   2   0   3 25.641  51.283   0.281    8.24    4      212.9      938.7
   46   0   4   2 25.791  51.582   0.282    8.13    4      162.5      539.4
   47   3   2   2 25.812  51.624   0.283    8.12    8       20.0       16.4
   48   4   1   1 25.885  51.771   0.283    8.06    8       49.3       98.3
   49   2   1   3 26.209  52.417   0.287    7.84    8        2.6        0.3
   50   4   2   0 26.406  52.811   0.289    7.71    4      225.7      986.3
   51   1   4   2 26.545  53.09    0.29     7.62    8       43.9       73.7
   52   1   5   0 26.928  53.856   0.294    7.37    4       36.1       24.1
   53   0   5   1 27.335  54.669   0.298    7.12    4       52.6       49.6
   54   4   2   1 27.552  55.104   0.3      7.0     8        9.8        3.3
   55   0   3   3 27.673  55.345   0.301    6.93    4       27.6       13.3
   56   3   4   0 27.856  55.712   0.303    6.82    4       37.6       24.2
   57   2   2   3 27.862  55.724   0.303    6.82    8      121.3      504.1
   58   1   5   1 28.06   56.119   0.305    6.71    8      110.2      409.3
   59   1   3   3 28.392  56.784   0.309    6.54    8      156.5      804.3
   60   3   3   2 28.558  57.115   0.31     6.45    8      250.0     2025.3
   61   2   4   2 28.724  57.447   0.312    6.37    8       50.9       83.0
   62   4   0   2 28.749  57.499   0.312    6.35    4      246.0      965.8
   63   3   4   1 28.963  57.927   0.314    6.25    8       21.0       13.8
   64   2   5   0 29.087  58.174   0.316    6.19    4       22.1        7.6
   65   4   3   0 29.113  58.226   0.316    6.18    4        8.8        1.2
   66   4   1   2 29.275  58.551   0.317    6.1     8        4.7        0.7
   67   3   1   3 29.809  59.618   0.323    5.86    8       46.6       63.8
   68   2   5   1 30.166  60.332   0.326    5.7     8        5.6        0.9
   69   4   3   1 30.191  60.382   0.326    5.69    8       13.7        5.4
   70   2   3   3 30.483  60.967   0.329    5.57    8        4.6        0.6
   71   0   0   4 30.582  61.164   0.33     5.53    2      341.3      809.4
   72   4   2   2 30.82   61.639   0.333    5.44    8       37.4       38.2
   73   5   1   0 31.187  62.373   0.336    5.3     4      114.4      174.2
   74   1   5   2 31.294  62.587   0.337    5.26    8      182.2      877.2
   75   3   2   3 31.337  62.675   0.338    5.24    8       26.7       18.8
   76   1   1   4 31.76   63.519   0.342    5.09    8        6.7        1.1
   77   0   6   0 31.969  63.938   0.344    5.02    2      218.3      300.4
   78   1   4   3 31.987  63.974   0.344    5.01    8       39.7       39.7
   79   3   4   2 32.141  64.283   0.345    4.96    8        6.1        0.9
   80   5   1   1 32.223  64.447   0.346    4.93    8       79.5      156.8
   81   3   5   0 32.482  64.964   0.349    4.85    4      155.4      294.0
   82   0   2   4 32.582  65.165   0.35     4.81    4       54.3       35.7
   83   1   6   0 32.63   65.259   0.35     4.8     4       19.4        4.5
   84   4   4   0 32.66   65.32    0.35     4.79    4      113.9      156.0
   85   5   2   0 32.678  65.356   0.35     4.78    4       10.4        1.3
   86   1   2   4 33.237  66.473   0.356    4.61    8       12.9        3.8
   87   2   0   4 33.243  66.485   0.356    4.61    4       45.2       23.7
   88   2   5   2 33.276  66.552   0.356    4.6     8       13.3        4.1
   89   4   3   2 33.3    66.6     0.356    4.6     8       12.9        3.8
   90   3   5   1 33.497  66.993   0.358    4.54    8       91.4      190.4
   91   1   6   1 33.642  67.285   0.36     4.5     8        3.6        0.3
   92   4   4   1 33.672  67.344   0.36     4.49    8        5.9        0.8
   93   5   2   1 33.69   67.379   0.36     4.48    8       14.7        4.9
   94   2   1   4 33.727  67.455   0.36     4.47    8       23.9       12.8
   95   3   3   3 33.797  67.594   0.361    4.45    8      141.4      447.2
   96   2   4   3 33.948  67.895   0.362    4.41    8       84.1      156.8
   97   4   0   3 33.971  67.943   0.363    4.41    4       22.0        5.3
   98   4   1   3 34.451  68.902   0.367    4.28    8       53.1       60.5
   99   2   6   0 34.572  69.144   0.368    4.25    4       51.6       28.4
  100   5   3   0 35.089  70.177   0.373    4.12    4       56.7       33.3
  101   2   2   4 35.162  70.325   0.374    4.11    8       57.7       68.6
  102   5   1   2 35.236  70.471   0.374    4.09    8        9.4        1.8
  103   2   6   1 35.558  71.115   0.377    4.02    8      179.8      652.0
  104   1   3   4 35.629  71.258   0.378    4.0     8      170.6      584.8
  105   0   5   3 35.685  71.37    0.379    3.99    4       37.1       13.8
  106   4   2   3 35.873  71.745   0.38     3.95    8       10.0        2.0
  107   0   6   2 35.973  71.946   0.381    3.93    4      127.7      160.8
  108   5   3   1 36.068  72.136   0.382    3.9     8      140.8      388.9
  109   1   5   3 36.313  72.625   0.384    3.85    8      103.1      205.8
  110   3   5   2 36.458  72.916   0.386    3.82    8       69.1       91.8
  111   1   6   2 36.598  73.197   0.387    3.8     8       12.3        2.9
  112   4   4   2 36.627  73.254   0.387    3.79    8       42.6       34.5
  113   5   2   2 36.644  73.288   0.387    3.79    8        0.2        0.0
  114   3   1   4 36.892  73.783   0.39     3.74    8       84.2      133.3
  115   4   5   0 36.948  73.895   0.39     3.73    4        7.1        0.5
  116   3   4   3 37.104  74.208   0.392    3.7     8       15.0        4.2
  117   2   3   4 37.5    75.0     0.395    3.63    8       34.1       21.2
  118   3   6   0 37.706  75.411   0.397    3.59    4       38.7       13.5
  119   6   0   0 37.756  75.513   0.397    3.58    2       92.2       38.3
  120   4   5   1 37.908  75.816   0.399    3.56    8       12.3        2.7
  121   2   5   3 38.171  76.342   0.401    3.52    8        3.9        0.3
  122   4   3   3 38.193  76.387   0.401    3.51    8        1.5        0.0
  123   6   1   0 38.216  76.433   0.402    3.51    4        9.8        0.9
  124   0   4   4 38.26   76.519   0.402    3.5     4        4.4        0.2
  125   3   2   4 38.276  76.553   0.402    3.5     8       29.2       15.0
  126   5   4   0 38.349  76.697   0.403    3.49    4       62.0       33.7
  127   2   6   2 38.452  76.903   0.404    3.47    8       49.6       42.8
  128   3   6   1 38.659  77.319   0.405    3.44    8       31.0       16.7
  129   6   0   1 38.71   77.42    0.406    3.43    4      217.3      407.2
  130   1   7   0 38.761  77.523   0.406    3.42    4        3.5        0.1
  131   1   4   4 38.872  77.743   0.407    3.41    8       55.1       51.9
  132   5   3   2 38.948  77.896   0.408    3.4     8      172.0      505.2
  133   0   7   1 39.099  78.199   0.409    3.38    4       18.4        2.9
  134   6   1   1 39.166  78.332   0.41     3.37    8        2.6        0.1
  135   5   4   1 39.298  78.595   0.411    3.35    8       34.1       19.5
  136   6   2   0 39.586  79.172   0.414    3.31    4       49.6       20.4
  137   1   7   1 39.708  79.415   0.415    3.29    8       31.3       16.2
  138   0   1   5 39.945  79.891   0.417    3.26    4       21.2        3.7
  139   5   1   3 40.033  80.067   0.418    3.25    8       71.9       84.4
  140   6   2   1 40.527  81.053   0.422    3.19    8       85.4      117.0
  141   1   1   5 40.55   81.101   0.422    3.19    8       58.8       55.4
  142   3   3   4 40.551  81.102   0.422    3.19    8       95.2      145.2
  143   2   7   0 40.583  81.167   0.422    3.18    4       51.0       20.8
  144   2   4   4 40.692  81.384   0.423    3.17    8       55.8       49.7
  145   4   0   4 40.714  81.429   0.423    3.17    4      157.1      196.5
  146   4   5   2 40.745  81.491   0.424    3.17    8        3.3        0.2
  147   4   1   4 41.165  82.33    0.427    3.12    8        8.3        1.1
  148   3   5   3 41.208  82.415   0.428    3.12    8       87.8      120.8
  149   1   6   3 41.343  82.686   0.429    3.1     8        2.1        0.1
  150   4   4   3 41.371  82.741   0.429    3.1     8        4.6        0.3
  151   5   2   3 41.387  82.774   0.429    3.1     8       11.2        2.0
  152   3   6   2 41.483  82.966   0.43     3.09    8        5.7        0.5
  153   2   7   1 41.519  83.038   0.43     3.08    8        6.2        0.6
  154   6   0   2 41.533  83.065   0.43     3.08    4        1.0        0.0
  155   6   3   0 41.842  83.685   0.433    3.05    4        5.2        0.2
  156   1   2   5 41.901  83.801   0.434    3.05    8       14.9        3.4
  157   2   0   5 41.906  83.812   0.434    3.05    4      189.4      274.5
  158   4   6   0 41.955  83.911   0.434    3.04    4      106.4       86.5
  159   6   1   2 41.982  83.963   0.434    3.04    8       53.4       43.5
  160   5   4   2 42.111  84.222   0.435    3.03    8       40.7       25.2
  161   2   1   5 42.355  84.709   0.437    3.01    8        2.7        0.1
  162   5   5   0 42.42   84.84    0.438    3.0     4      104.3       82.1
  163   4   2   4 42.512  85.023   0.439    2.99    8      167.5      422.2
  164   1   7   2 42.515  85.031   0.439    2.99    8       64.3       62.1
  165   6   3   1 42.773  85.547   0.441    2.97    8        4.3        0.3
  166   4   6   1 42.886  85.772   0.442    2.96    8       17.9        4.8
  167   1   5   4 42.932  85.864   0.442    2.96    8       35.4       18.6
  168   2   6   3 43.142  86.284   0.444    2.94    8      167.7      416.0
  169   6   2   2 43.325  86.649   0.445    2.93    8       50.4       37.3
  170   5   5   1 43.35   86.699   0.446    2.93    8      102.3      154.1
  171   0   3   5 43.54   87.08    0.447    2.91    4        4.5        0.1
  172   3   7   0 43.584  87.167   0.448    2.91    4      106.3       82.7
  173   5   3   3 43.627  87.254   0.448    2.91    8      131.2      251.8
  174   3   4   4 43.691  87.383   0.448    2.9     8       28.5       11.8
  175   2   2   5 43.696  87.393   0.448    2.9     8      114.6      191.5
  176   1   3   5 44.137  88.275   0.452    2.88    8      119.5      206.5
  177   2   7   2 44.308  88.617   0.453    2.87    8       35.8       18.5
  178   3   7   1 44.511  89.022   0.455    2.85    8       35.5       18.1
  179   2   5   4 44.724  89.448   0.457    2.84    8       17.8        4.5
  180   4   3   4 44.746  89.491   0.457    2.84    8        6.0        0.5
  181   0   8   0 44.906  89.813   0.458    2.83    2      109.1       42.4
  182   6   4   0 44.972  89.944   0.459    2.83    4       32.2        7.4


  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   0   1   1   8.906  17.811  4.97577      424.9      7.0      7.0     5.6
    2   0   2   0  10.165  20.33   4.3645       364.6      6.0      6.0     5.6
    3   1   1   1  10.685  21.371  4.15432     2366.5     38.7     38.9     5.6
    4   2   0   0  11.777  23.554  3.774        304.1      5.0      5.0     5.6
    5   2   0   1  13.915  27.831  3.20296     6111.9    100.0    100.0     5.6
    6   0   0   2  14.737  29.474  3.028       1702.3     27.9     27.8     5.6
    7   2   2   0  15.654  31.308  2.85474      441.8      7.2      7.2     5.6
    8   1   3   0  16.482  32.965  2.71493     2887.5     47.2     47.0     5.6
    9   1   1   2  16.735  33.47   2.67508     2997.8     49.0     48.8     5.7
   10   2   2   1  17.356  34.711  2.58223     2567.1     42.0     41.8     5.7
   11   0   2   2  18.036  36.072  2.48788      764.1     12.5     12.4     5.7
   12   1   3   1  18.115  36.23   2.47737     2867.7     46.9     46.6     5.7
   13   3   1   0  18.579  37.159  2.41758      455.1      7.4      7.4     5.7
   14   2   0   2  19.035  38.07   2.36178      331.4      5.4      5.4     5.7
   15   2   3   0  19.528  39.057  2.30433      166.4      2.7      2.7     5.7
   16   2   1   2  19.747  39.494  2.27981      843.8     13.8     13.7     5.7
   17   3   1   1  20.064  40.128  2.24528      170.3      2.8      2.8     5.7
   18   3   2   0  20.694  41.388  2.17975       73.7      1.2      1.2     5.7
   19   1   4   0  21.557  43.115  2.09639      223.4      3.7      3.6     5.7
   20   2   2   2  21.767  43.534  2.07716      212.2      3.5      3.4     5.7
   21   3   2   1  22.06   44.12   2.05094       74.7      1.2      1.2     5.7
   22   1   3   2  22.4    44.799  2.0214       562.1      9.2      9.1     5.7
   23   1   4   1  22.881  45.763  1.98105      169.7      2.8      2.7     5.7
   24   0   1   3  23.057  46.114  1.96676       79.0      1.3      1.3     5.7
   25   3   3   0  23.875  47.749  1.90316      618.5     10.1      9.9     5.7
   26   2   4   0  24.063  48.125  1.88916      182.7      3.0      2.9     5.7
   27   4   0   0  24.092  48.184  1.887        497.0      8.1      8.0     5.7
   28   3   3   1  25.103  50.207  1.81562     1070.8     17.5     17.1     5.8
   29   2   4   1  25.285  50.569  1.80345      336.7      5.5      5.4     5.8
   30   2   0   3  25.641  51.283  1.78003      942.8     15.4     15.1     5.8
   31   0   4   2  25.791  51.582  1.77039      555.8      9.1      8.9     5.8
   32   4   1   1  25.885  51.771  1.76438       98.3      1.6      1.6     5.8
   33   4   2   0  26.406  52.811  1.73205      986.3     16.1     15.7     5.8
   34   1   4   2  26.545  53.09   1.72361       73.7      1.2      1.2     5.8
   35   2   2   3  27.862  55.724  1.64822      528.3      8.6      8.4     5.8
   36   1   5   1  28.06   56.119  1.63754      409.3      6.7      6.5     5.8
   37   1   3   3  28.392  56.784  1.61994      804.3     13.2     12.8     5.8
   38   3   3   2  28.558  57.115  1.61132     2025.3     33.1     32.1     5.8
   39   4   0   2  28.749  57.499  1.60148     1048.8     17.2     16.6     5.8
   40   3   1   3  29.809  59.618  1.54952       63.8      1.0      1.0     5.8
   41   0   0   4  30.582  61.164  1.514        809.4     13.2     12.8     5.8
   42   5   1   0  31.187  62.373  1.48752      174.2      2.9      2.7     5.8
   43   1   5   2  31.294  62.587  1.48295      877.2     14.4     13.8     5.8
   44   0   6   0  31.969  63.938  1.45483      340.1      5.6      5.3     5.9
   45   5   1   1  32.223  64.447  1.44458      156.8      2.6      2.5     5.9
   46   3   5   0  32.482  64.964  1.43433      294.0      4.8      4.6     5.9
   47   4   4   0  32.66   65.32   1.42737      157.3      2.6      2.5     5.9
   48   3   5   1  33.497  66.993  1.39572      190.4      3.1      3.0     5.9
   49   3   3   3  33.797  67.594  1.38477      447.2      7.3      7.0     5.9
   50   2   4   3  33.948  67.895  1.37935      162.1      2.7      2.5     5.9
   51   2   2   4  35.162  70.325  1.33754       68.6      1.1      1.1     5.9
   52   2   6   1  35.558  71.115  1.3246       652.0     10.7     10.1     5.9
   53   1   3   4  35.629  71.258  1.32229      584.8      9.6      9.1     5.9
   54   0   6   2  35.973  71.946  1.31133      160.8      2.6      2.5     5.9
   55   5   3   1  36.068  72.136  1.30834      388.9      6.4      6.0     5.9
   56   1   5   3  36.313  72.625  1.30073      205.8      3.4      3.2     6.0
   57   3   5   2  36.458  72.916  1.29625       91.8      1.5      1.4     6.0
   58   3   1   4  36.892  73.783  1.28315      133.3      2.2      2.1     6.0
   59   6   0   1  38.71   77.42   1.23171      407.2      6.7      6.2     6.0
   60   5   3   2  38.948  77.896  1.22536      505.2      8.3      7.7     6.0
   61   5   1   3  40.033  80.067  1.19751       84.4      1.4      1.3     6.0
   62   3   3   4  40.551  81.102  1.18482      317.6      5.2      4.8     6.1
   63   4   0   4  40.714  81.429  1.18089      246.2      4.0      3.7     6.1
   64   3   5   3  41.208  82.415  1.16923      120.8      2.0      1.8     6.1
   65   2   0   5  41.906  83.812  1.15326      277.9      4.5      4.2     6.1
   66   4   6   0  41.955  83.911  1.15216      130.0      2.1      2.0     6.1
   67   5   5   0  42.42   84.84   1.1419        82.1      1.3      1.2     6.1
   68   4   2   4  42.512  85.023  1.1399       484.4      7.9      7.3     6.1
   69   2   6   3  43.142  86.284  1.12646      416.0      6.8      6.2     6.1
   70   5   5   1  43.35   86.699  1.12212      191.4      3.1      2.9     6.1
   71   3   7   0  43.584  87.167  1.1173        82.7      1.4      1.2     6.2
   72   5   3   3  43.627  87.254  1.11641      251.8      4.1      3.8     6.2
   73   2   2   5  43.696  87.393  1.115        203.3      3.3      3.0     6.2
   74   1   3   5  44.137  88.275  1.10612      206.5      3.4      3.1     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)