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       ***
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TYCHITE

3, g-tychite

Na(6)Mg(2)[SO(4)][CO(3)](4)


Cubic  * Fd3  Z = 8

R =0.023

30 .1 .1908

Ref.Str.:

         Schmidt G.R., Reynard J., Yang H., Downs R.T. (2006)

         * Acta Cryst., E62, i207-i209

Reserv:

         from Searles Lake, Trona, San Bernardino County, California, USA.

         See U(ij) in the original. N.A.D.

                   Initial data from BDM-file 

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

             a =  13.9038   alpha =   90.0 
             b =  13.9038   beta  =   90.0 
             c =  13.9038   gamma =   90.0 

    Unit cell volume (cub. angs.) =  2687.82

    Molar volume ( cub.cm/mol.) =   202.37

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

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

   1 0.125   0.125   0.125    0.0    S     = 1.00
   2 0.0     0.5     0.0      0.0    Mg    = 1.00
   3 0.0321  0.7179  0.0321   0.0    C     = 1.00
   4 0.3438  0.125   0.125    0.0    Na    = 1.00
   5 0.2663  0.2253  0.3533   0.0    O     = 1.00
   6 0.0636  0.0636  0.0636   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.125      0.125      0.125 
     2       2     0.0        0.5        0.0   
     3       3     0.0321     0.7179     0.0321
     4       4     0.3438     0.125      0.125 
     5       5     0.2663     0.2253     0.3533
     6       6     0.0636     0.0636     0.0636
     7       1     0.875      0.875      0.875 
     8       3     0.9679     0.2821     0.9679
     9       4     0.6562     0.875      0.875 
    10       5     0.7337     0.7747     0.6467
    11       6     0.9364     0.9364     0.9364
    12       1     0.375      0.375      0.875 
    13       2     0.5        0.0        0.0   
    14       3     0.4679     0.7821     0.9679
    15       4     0.1562     0.375      0.875 
    16       5     0.2337     0.2747     0.6467
    17       6     0.4364     0.4364     0.9364
    18       1     0.625      0.625      0.125 
    19       3     0.5321     0.2179     0.0321
    20       4     0.8438     0.625      0.125 
    21       5     0.7663     0.7253     0.3533
    22       6     0.5636     0.5636     0.0636
    23       1     0.875      0.375      0.375 
    24       2     0.0        0.75       0.25  
    25       3     0.9679     0.9679     0.2821
    26       4     0.6562     0.375      0.375 
    27       5     0.7337     0.4753     0.6033
    28       6     0.9364     0.3136     0.3136
    29       3     0.0321     0.5321     0.2179
    30       5     0.2663     0.0247     0.8967
    31       6     0.0636     0.1864     0.1864
    32       2     0.5        0.25       0.25  
    33       3     0.5321     0.0321     0.2179
    34       5     0.7663     0.5247     0.8967
    35       6     0.5636     0.6864     0.1864
    36       1     0.375      0.875      0.375 
    37       3     0.4679     0.4679     0.2821
    38       4     0.1562     0.875      0.375 
    39       5     0.2337     0.9753     0.6033
    40       6     0.4364     0.8136     0.3136
    41       2     0.5        0.5        0.5   
    42       3     0.4679     0.2821     0.4679
    43       5     0.2337     0.7747     0.1467
    44       6     0.4364     0.9364     0.4364
    45       1     0.625      0.125      0.625 
    46       3     0.5321     0.7179     0.5321
    47       4     0.8438     0.125      0.625 
    48       5     0.7663     0.2253     0.8533
    49       6     0.5636     0.0636     0.5636
    50       1     0.125      0.625      0.625 
    51       2     0.0        0.0        0.5   
    52       3     0.0321     0.2179     0.5321
    53       4     0.3438     0.625      0.625 
    54       5     0.2663     0.7253     0.8533
    55       6     0.0636     0.5636     0.5636
    56       3     0.9679     0.7821     0.4679
    57       5     0.7337     0.2747     0.1467
    58       6     0.9364     0.4364     0.4364
    59       2     0.25       0.5        0.25  
    60       3     0.2179     0.7179     0.2179
    61       4     0.9062     0.125      0.125 
    62       5     0.9837     0.2253     0.8967
    63       6     0.1864     0.0636     0.1864
    64       3     0.2821     0.2821     0.2821
    65       4     0.5938     0.875      0.375 
    66       5     0.5163     0.7747     0.6033
    67       6     0.3136     0.9364     0.3136
    68       2     0.75       0.0        0.25  
    69       3     0.7821     0.7821     0.2821
    70       4     0.0938     0.375      0.375 
    71       5     0.0163     0.2747     0.6033
    72       6     0.8136     0.4364     0.3136
    73       3     0.7179     0.2179     0.2179
    74       4     0.4062     0.625      0.125 
    75       5     0.4837     0.7253     0.8967
    76       6     0.6864     0.5636     0.1864
    77       2     0.25       0.75       0.0   
    78       3     0.2821     0.9679     0.9679
    79       4     0.5938     0.375      0.875 
    80       5     0.5163     0.4753     0.6467
    81       6     0.3136     0.3136     0.9364
    82       3     0.2179     0.5321     0.0321
    83       5     0.9837     0.0247     0.3533
    84       6     0.1864     0.1864     0.0636
    85       2     0.75       0.25       0.0   
    86       3     0.7179     0.0321     0.0321
    87       5     0.4837     0.5247     0.3533
    88       6     0.6864     0.6864     0.0636
    89       3     0.7821     0.4679     0.9679
    90       4     0.0938     0.875      0.875 
    91       5     0.0163     0.9753     0.6467
    92       6     0.8136     0.8136     0.9364
    93       2     0.75       0.5        0.75  
    94       3     0.7821     0.2821     0.7821
    95       5     0.0163     0.7747     0.1033
    96       6     0.8136     0.9364     0.8136
    97       3     0.7179     0.7179     0.7179
    98       4     0.4062     0.125      0.625 
    99       5     0.4837     0.2253     0.3967
   100       6     0.6864     0.0636     0.6864
   101       2     0.25       0.0        0.75  
   102       3     0.2179     0.2179     0.7179
   103       4     0.9062     0.625      0.625 
   104       5     0.9837     0.7253     0.3967
   105       6     0.1864     0.5636     0.6864
   106       3     0.2821     0.7821     0.7821
   107       5     0.5163     0.2747     0.1033
   108       6     0.3136     0.4364     0.8136
   109       2     0.75       0.75       0.5   
   110       3     0.7179     0.5321     0.5321
   111       5     0.4837     0.0247     0.8533
   112       6     0.6864     0.1864     0.5636
   113       3     0.7821     0.9679     0.4679
   114       5     0.0163     0.4753     0.1467
   115       6     0.8136     0.3136     0.4364
   116       2     0.25       0.25       0.5   
   117       3     0.2821     0.4679     0.4679
   118       5     0.5163     0.9753     0.1467
   119       6     0.3136     0.8136     0.4364
   120       3     0.2179     0.0321     0.5321
   121       5     0.9837     0.5247     0.8533
   122       6     0.1864     0.6864     0.5636
   123       2     0.5        0.75       0.75  
   124       3     0.5321     0.5321     0.7179
   125       5     0.7663     0.0247     0.3967
   126       6     0.5636     0.1864     0.6864
   127       3     0.4679     0.9679     0.7821
   128       5     0.2337     0.4753     0.1033
   129       6     0.4364     0.3136     0.8136
   130       2     0.0        0.25       0.75  
   131       3     0.9679     0.4679     0.7821
   132       5     0.7337     0.9753     0.1033
   133       6     0.9364     0.8136     0.8136
   134       3     0.0321     0.0321     0.7179
   135       5     0.2663     0.5247     0.3967
   136       6     0.0636     0.6864     0.6864
   137       4     0.125      0.125      0.3438
   138       4     0.125      0.3438     0.125 
   139       5     0.2253     0.3533     0.2663
   140       5     0.3533     0.2663     0.2253
   141       4     0.875      0.875      0.6562
   142       4     0.875      0.6562     0.875 
   143       5     0.7747     0.6467     0.7337
   144       5     0.6467     0.7337     0.7747
   145       4     0.375      0.875      0.1562
   146       4     0.875      0.1562     0.375 
   147       5     0.2747     0.6467     0.2337
   148       5     0.6467     0.2337     0.2747
   149       4     0.625      0.125      0.8438
   150       4     0.125      0.8438     0.625 
   151       5     0.7253     0.3533     0.7663
   152       5     0.3533     0.7663     0.7253
   153       4     0.375      0.375      0.6562
   154       4     0.375      0.6562     0.375 
   155       5     0.4753     0.6033     0.7337
   156       5     0.6033     0.7337     0.4753
   157       5     0.0247     0.8967     0.2663
   158       5     0.8967     0.2663     0.0247
   159       5     0.5247     0.8967     0.7663
   160       5     0.8967     0.7663     0.5247
   161       4     0.875      0.375      0.1562
   162       4     0.375      0.1562     0.875 
   163       5     0.9753     0.6033     0.2337
   164       5     0.6033     0.2337     0.9753
   165       5     0.7747     0.1467     0.2337
   166       5     0.1467     0.2337     0.7747
   167       4     0.125      0.625      0.8438
   168       4     0.625      0.8438     0.125 
   169       5     0.2253     0.8533     0.7663
   170       5     0.8533     0.7663     0.2253
   171       4     0.625      0.625      0.3438
   172       4     0.625      0.3438     0.625 
   173       5     0.7253     0.8533     0.2663
   174       5     0.8533     0.2663     0.7253
   175       5     0.2747     0.1467     0.7337
   176       5     0.1467     0.7337     0.2747
   177       4     0.125      0.125      0.9062
   178       4     0.125      0.9062     0.125 
   179       5     0.2253     0.8967     0.9837
   180       5     0.8967     0.9837     0.2253
   181       4     0.875      0.375      0.5938
   182       4     0.375      0.5938     0.875 
   183       5     0.7747     0.6033     0.5163
   184       5     0.6033     0.5163     0.7747
   185       4     0.375      0.375      0.0938
   186       4     0.375      0.0938     0.375 
   187       5     0.2747     0.6033     0.0163
   188       5     0.6033     0.0163     0.2747
   189       4     0.625      0.125      0.4062
   190       4     0.125      0.4062     0.625 
   191       5     0.7253     0.8967     0.4837
   192       5     0.8967     0.4837     0.7253
   193       4     0.375      0.875      0.5938
   194       4     0.875      0.5938     0.375 
   195       5     0.4753     0.6467     0.5163
   196       5     0.6467     0.5163     0.4753
   197       5     0.0247     0.3533     0.9837
   198       5     0.3533     0.9837     0.0247
   199       5     0.5247     0.3533     0.4837
   200       5     0.3533     0.4837     0.5247
   201       4     0.875      0.875      0.0938
   202       4     0.875      0.0938     0.875 
   203       5     0.9753     0.6467     0.0163
   204       5     0.6467     0.0163     0.9753
   205       5     0.7747     0.1033     0.0163
   206       5     0.1033     0.0163     0.7747
   207       4     0.125      0.625      0.4062
   208       4     0.625      0.4062     0.125 
   209       5     0.2253     0.3967     0.4837
   210       5     0.3967     0.4837     0.2253
   211       4     0.625      0.625      0.9062
   212       4     0.625      0.9062     0.625 
   213       5     0.7253     0.3967     0.9837
   214       5     0.3967     0.9837     0.7253
   215       5     0.2747     0.1033     0.5163
   216       5     0.1033     0.5163     0.2747
   217       5     0.0247     0.8533     0.4837
   218       5     0.8533     0.4837     0.0247
   219       5     0.4753     0.1467     0.0163
   220       5     0.1467     0.0163     0.4753
   221       5     0.9753     0.1467     0.5163
   222       5     0.1467     0.5163     0.9753
   223       5     0.5247     0.8533     0.9837
   224       5     0.8533     0.9837     0.5247
   225       5     0.0247     0.3967     0.7663
   226       5     0.3967     0.7663     0.0247
   227       5     0.4753     0.1033     0.2337
   228       5     0.1033     0.2337     0.4753
   229       5     0.9753     0.1033     0.7337
   230       5     0.1033     0.7337     0.9753
   231       5     0.5247     0.3967     0.2663
   232       5     0.3967     0.2663     0.5247


X-ray density (g/cm cub.)   =      2.58

MU (1/cm) =      59.535    Mass attenuation coefficient (cm**2/g) =     23.056

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

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

    1    S                   1.98         4
                                                 1.4782       6
                                                 1.4782       6
                                                 1.4782       6
                                                 1.4782       6
    2    Mg                  2.52         6
                                                 2.0803       5
                                                 2.0803       5
                                                 2.0803       5
                                                 2.0803       5
                                                 2.0803       5
                                                 2.0803       5
    3    C                   1.872        3
                                                 1.2858       5
                                                 1.2858       5
                                                 1.2858       5
    4    Na                  2.808        6
                                                 2.4993       6
                                                 2.4993       6
                                                 2.4124       5
                                                 2.4124       5
                                                 2.3915       5
                                                 2.3915       5
    5    O                   3.264        7
                                                 3.0833       5
                                                 2.227        5
                                                 2.227        5
                                                 3.048        5
                                                 2.8321       5
                                                 2.8321       5
                                                 3.048        5
    6    O                   3.264        4
                                                 3.0642       6
                                                 2.4138       6
                                                 2.4138       6
                                                 2.4138       6

  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   1  5.506  11.013   0.062  214.23    8       39.7       37.4
    2   2   2   0  9.015  18.03    0.102   78.52   12       89.1      103.5
    3   1   3   0 10.09   20.18    0.114   62.25   12        0.0        0.0
    4   3   1   0 10.09   20.18    0.114   62.25   12        0.0        0.0
    5   1   1   3 10.588  21.176   0.119   56.33   24      198.0      733.7
    6   2   2   2 11.064  22.129   0.125   51.41    8       47.6       12.9
    7   4   0   0 12.803  25.606   0.144   37.86    6       71.2       15.9
    8   3   3   1 13.974  27.949   0.157   31.46   24      147.0      225.8
    9   2   2   4 15.748  31.496   0.176   24.36   24       62.8       32.0
   10   1   1   5 16.731  33.461   0.187   21.37   24      356.1      900.3
   11   3   3   3 16.731  33.461   0.187   21.37    8      402.8      384.0
   12   4   4   0 18.264  36.528   0.203   17.65   12      480.7      677.3
   13   3   5   0 18.847  37.694   0.21    16.47   12        0.0        0.0
   14   5   3   0 18.847  37.694   0.21    16.47   12        0.0        0.0
   15   1   3   5 19.133  38.265   0.213   15.93   24      105.4       58.8
   16   5   3   1 19.133  38.265   0.213   15.93   24      147.5      115.2
   17   4   4   2 19.415  38.83    0.216   15.42   24       96.8       48.0
   18   2   6   0 20.511  41.022   0.227   13.65   12      172.8       67.7
   19   6   2   0 20.511  41.022   0.227   13.65   12      109.0       26.9
   20   3   3   5 21.302  42.604   0.236   12.54   24       43.1        7.7
   21   2   2   6 21.561  43.121   0.239   12.2    24       97.6       38.6
   22   4   4   4 22.571  45.142   0.249   11.01    8      481.0      282.0
   23   1   7   0 23.063  46.126   0.254   10.48   12        0.0        0.0
   24   7   1   0 23.063  46.126   0.254   10.48   12        0.0        0.0
   25   1   1   7 23.306  46.612   0.257   10.24   24      253.9      219.2
   26   5   5   1 23.306  46.612   0.257   10.24   24      143.7       70.2
   27   2   4   6 24.493  48.986   0.269    9.15   24       70.3       15.0
   28   6   4   2 24.493  48.986   0.269    9.15   24      142.3       61.5
   29   1   3   7 25.185  50.37    0.276    8.58   24       26.3        2.0
   30   5   5   3 25.185  50.37    0.276    8.58   24      120.5       41.4
   31   7   3   1 25.185  50.37    0.276    8.58   24       28.4        2.3
   32   8   0   0 26.309  52.617   0.288    7.77    6      493.6      157.3
   33   3   3   7 26.967  53.934   0.294    7.35   24      177.3       76.7
   34   4   4   6 27.184  54.368   0.297    7.21   24      119.5       34.2
   35   2   2   8 28.04   56.08    0.305    6.72   24      219.8      108.0
   36   6   6   0 28.04   56.08    0.305    6.72   12      189.3       40.0
   37   5   7   0 28.462  56.924   0.309    6.5    12        0.0        0.0
   38   7   5   0 28.462  56.924   0.309    6.5    12        0.0        0.0
   39   1   5   7 28.671  57.343   0.311    6.39   24      280.7      167.3
   40   5   5   5 28.671  57.343   0.311    6.39    8      471.7      157.5
   41   7   5   1 28.671  57.343   0.311    6.39   24       78.6       13.1
   42   6   6   2 28.88   57.759   0.314    6.29   24      267.9      150.0
   43   4   8   0 29.704  59.408   0.322    5.9    12      126.1       15.6
   44   8   4   0 29.704  59.408   0.322    5.9    12       49.7        2.4
   45   1   1   9 30.313  60.626   0.328    5.64   24       10.0        0.2
   46   3   5   7 30.313  60.626   0.328    5.64   24       26.6        1.3
   47   7   5   3 30.313  60.626   0.328    5.64   24        4.8        0.0
   48   2   4   8 30.514  61.029   0.33     5.56   24      145.8       39.3
   49   8   4   2 30.514  61.029   0.33     5.56   24       58.5        6.3
   50   6   6   4 31.312  62.625   0.337    5.25   24       45.7        3.6
   51   3   9   0 31.707  63.414   0.341    5.11   12        0.0        0.0
   52   9   3   0 31.707  63.414   0.341    5.11   12        0.0        0.0
   53   1   3   9 31.903  63.807   0.343    5.04   24       94.2       14.9
   54   9   3   1 31.903  63.807   0.343    5.04   24      204.7       70.2
   55   4   4   8 32.875  65.751   0.352    4.72   24      278.4      121.6
   56   3   3   9 33.451  66.903   0.358    4.55   24       10.9        0.2
   57   5   5   7 33.451  66.903   0.358    4.55   24       25.4        1.0
   58   7   7   1 33.451  66.903   0.358    4.55   24      144.7       31.7
   59   2   6   8 34.401  68.802   0.367    4.29   24       31.7        1.4
   60   2  10   0 34.401  68.802   0.367    4.29   12      137.9       13.6
   61   8   6   2 34.401  68.802   0.367    4.29   24       65.5        6.1
   62  10   2   0 34.401  68.802   0.367    4.29   12       49.2        1.7
   63   1   5   9 34.965  69.929   0.372    4.15   24      140.1       27.1
   64   7   7   3 34.965  69.929   0.372    4.15   24       54.8        4.1
   65   9   5   1 34.965  69.929   0.372    4.15   24      318.3      139.8
   66   2   2  10 35.152  70.303   0.374    4.11   24       13.2        0.2
   67   6   6   6 35.152  70.303   0.374    4.11    8      174.7       13.9
   68   3   5   9 36.449  72.898   0.386    3.83   24      195.7       48.7
   69   9   5   3 36.449  72.898   0.386    3.83   24       43.7        2.4
   70   4   6   8 36.633  73.265   0.387    3.79   24       18.4        0.4
   71   8   6   4 36.633  73.265   0.387    3.79   24      105.7       14.1
   72   2   4  10 37.365  74.729   0.394    3.65   24      126.3       19.4
   73  10   4   2 37.365  74.729   0.394    3.65   24       14.1        0.2
   74   1  11   0 37.729  75.457   0.397    3.59   12        0.0        0.0
   75  11   1   0 37.729  75.457   0.397    3.59   12        0.0        0.0
   76   1   1  11 37.91   75.82    0.399    3.56   24        2.8        0.0
   77   7   7   5 37.91   75.82    0.399    3.56   24      111.4       14.7
   78   8   8   0 38.813  77.627   0.407    3.42   12      416.2       98.3
   79   7   9   0 39.173  78.346   0.41     3.36   12        0.0        0.0
   80   9   7   0 39.173  78.346   0.41     3.36   12        0.0        0.0
   81   1   3  11 39.353  78.705   0.412    3.34   24       99.6       11.0
   82   1   7   9 39.353  78.705   0.412    3.34   24       23.7        0.6
   83   5   5   9 39.353  78.705   0.412    3.34   24       94.0        9.8
   84   9   7   1 39.353  78.705   0.412    3.34   24       35.5        1.4
   85  11   3   1 39.353  78.705   0.412    3.34   24       11.5        0.1
   86   4   4  10 39.532  79.063   0.413    3.32   24       12.2        0.2
   87   8   8   2 39.532  79.063   0.413    3.32   24       58.2        3.7
   88   6   6   8 40.247  80.493   0.419    3.22   24       42.8        2.0
   89   6  10   0 40.247  80.493   0.419    3.22   12      268.8       38.7
   90  10   6   0 40.247  80.493   0.419    3.22   12      134.7        9.7
   91   3   3  11 40.781  81.561   0.424    3.16   24        6.6        0.0
   92   3   7   9 40.781  81.561   0.424    3.16   24      141.7       21.1
   93   9   7   3 40.781  81.561   0.424    3.16   24       55.0        3.2
   94   2   6  10 40.958  81.917   0.426    3.14   24      116.6       14.2
   95  10   6   2 40.958  81.917   0.426    3.14   24       60.1        3.8
   96   8   8   4 41.668  83.335   0.432    3.07   24       10.9        0.1
   97  12   0   0 41.668  83.335   0.432    3.07    6      102.5        2.7
   98   5  11   0 42.021  84.043   0.435    3.04   12        0.0        0.0
   99  11   5   0 42.021  84.043   0.435    3.04   12        0.0        0.0
  100   1   5  11 42.198  84.396   0.436    3.02   24       32.3        1.0
  101   7   7   7 42.198  84.396   0.436    3.02    8      156.7        8.2
  102  11   5   1 42.198  84.396   0.436    3.02   24      137.8       19.0
  103   2   2  12 43.081  86.161   0.443    2.95   24      127.3       15.9
  104   4   6  10 43.081  86.161   0.443    2.95   24      143.4       20.1
  105  10   6   4 43.081  86.161   0.443    2.95   24      269.5       71.1
  106   3   5  11 43.609  87.218   0.448    2.91   24       44.8        1.9
  107   5   7   9 43.609  87.218   0.448    2.91   24      159.4       24.6
  108   9   7   5 43.609  87.218   0.448    2.91   24        0.3        0.0
  109  11   5   3 43.609  87.218   0.448    2.91   24       62.1        3.7
  110   4  12   0 44.489  88.978   0.455    2.86   12      159.7       12.1
  111  12   4   0 44.489  88.978   0.455    2.86   12      251.4       30.0


  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   1   5.506  11.013  8.02736       37.4      2.9      3.0     5.6
    2   2   2   0   9.015  18.03   4.91574      103.5      8.1      8.2     5.6
    3   1   1   3  10.588  21.176  4.19215      733.7     57.1     57.7     5.6
    4   2   2   2  11.064  22.129  4.01368       12.9      1.0      1.0     5.6
    5   4   0   0  12.803  25.606  3.47595       15.9      1.2      1.2     5.6
    6   3   3   1  13.974  27.949  3.18975      225.8     17.6     17.7     5.6
    7   2   2   4  15.748  31.496  2.8381        32.0      2.5      2.5     5.6
    8   1   1   5  16.731  33.461  2.67579     1284.2    100.0    100.0     5.7
    9   4   4   0  18.264  36.528  2.45787      677.3     52.7     52.6     5.7
   10   5   3   1  19.133  38.265  2.35017      173.9     13.5     13.5     5.7
   11   4   4   2  19.415  38.83   2.3173        48.0      3.7      3.7     5.7
   12   2   6   0  20.511  41.022  2.19838       94.6      7.4      7.3     5.7
   13   2   2   6  21.561  43.121  2.09608       38.6      3.0      3.0     5.7
   14   4   4   4  22.571  45.142  2.00684      282.0     22.0     21.7     5.7
   15   1   1   7  23.306  46.612  1.94692      289.5     22.5     22.2     5.7
   16   6   4   2  24.493  48.986  1.85797       76.6      6.0      5.9     5.7
   17   7   3   1  25.185  50.37   1.81012       45.7      3.6      3.5     5.8
   18   8   0   0  26.309  52.617  1.73798      157.3     12.2     12.0     5.8
   19   3   3   7  26.967  53.934  1.69862       76.7      6.0      5.8     5.8
   20   4   4   6  27.184  54.368  1.68608       34.2      2.7      2.6     5.8
   21   2   2   8  28.04   56.08   1.63858      148.0     11.5     11.2     5.8
   22   1   5   7  28.671  57.343  1.60547      337.9     26.3     25.6     5.8
   23   6   6   2  28.88   57.759  1.59488      150.0     11.7     11.4     5.8
   24   4   8   0  29.704  59.408  1.55449       18.0      1.4      1.4     5.8
   25   2   4   8  30.514  61.029  1.51703       45.6      3.6      3.4     5.8
   26   9   3   1  31.903  63.807  1.45751       85.0      6.6      6.4     5.9
   27   4   4   8  32.875  65.751  1.41905      121.6      9.5      9.1     5.9
   28   7   7   1  33.451  66.903  1.39738       31.7      2.5      2.4     5.9
   29  10   2   0  34.401  68.802  1.36338       22.8      1.8      1.7     5.9
   30   9   5   1  34.965  69.929  1.34413      171.1     13.3     12.7     5.9
   31   6   6   6  35.152  70.303  1.33789       13.9      1.1      1.0     5.9
   32   3   5   9  36.449  72.898  1.29654       51.1      4.0      3.8     6.0
   33   8   6   4  36.633  73.265  1.29094       14.1      1.1      1.0     6.0
   34   2   4  10  37.365  74.729  1.26924       19.6      1.5      1.4     6.0
   35   7   7   5  37.91   75.82   1.25366       14.7      1.1      1.1     6.0
   36   8   8   0  38.813  77.627  1.22893       98.3      7.7      7.2     6.0
   37   1   3  11  39.353  78.705  1.21478       23.0      1.8      1.7     6.0
   38  10   6   0  40.247  80.493  1.19224       50.4      3.9      3.7     6.0
   39   3   7   9  40.781  81.561  1.1793        24.3      1.9      1.8     6.1
   40   2   6  10  40.958  81.917  1.17509       18.0      1.4      1.3     6.1
   41  11   5   1  42.198  84.396  1.14677       28.3      2.2      2.0     6.1
   42  10   6   4  43.081  86.161  1.12775      107.1      8.3      7.7     6.1
   43  11   5   3  43.609  87.218  1.11678       30.2      2.4      2.2     6.2
   44  12   4   0  44.489  88.978  1.09919       42.1      3.3      3.0     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)