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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PYROMORPHITE

5, t-apatite, syn, s-pyromorphite

Pb(5)[PO(4)](3)Cl


Hexagonal  P 6(3)/m  Z = 2

R =0.014          NR =591

26 .2 .24

Ref.Str.:

         J. Sordyl, J. Rakovan, P.C. Burns, J. Topolska, A. Wlodek,

         J.E.S. Szymanowski, G.E. Sigmon, J. Majka, M. Manecki 2023)

         * Amer. Mineral., 108, 2323–2330

         L: $Pb4.77 La0.10 Na0.02 P3.03 O12 Cl0.89$

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   9.9837   alpha =   90.0 
             b =   9.9837   beta  =   90.0 
             c =   7.3063   gamma =  120.0 

    Unit cell volume (cub. angs.) =   630.68

    Molar volume ( cub.cm/mol.) =   189.94

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

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

   1 0.6667  0.3333  0.995    0.0    Pb    = 0.81, La    = 0.09, Na    = 0.09
   2 0.9944  0.2491  0.25     0.0    Pb    = 1.00
   3 0.0309  0.4096  0.75     0.0    P     = 1.00
   4 0.8556  0.3413  0.75     0.0    O     = 1.00
   5 0.5893  0.4743  0.25     0.0    O     = 1.00
   6 0.0871  0.3603  0.9188   0.0    O     = 1.00
   7 0.0     0.0     0.0      0.0    Cl    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.6667     0.3333     0.995 
     2       2     0.9944     0.2491     0.25  
     3       3     0.0309     0.4096     0.75  
     4       4     0.8556     0.3413     0.75  
     5       5     0.5893     0.4743     0.25  
     6       6     0.0871     0.3603     0.9188
     7       7     0.0        0.0        0.0   
     8       2     0.7509     0.7452     0.25  
     9       2     0.2548     0.0056     0.25  
    10       3     0.5904     0.6214     0.75  
    11       3     0.3786     0.9691     0.75  
    12       4     0.6587     0.5143     0.75  
    13       4     0.4857     0.1444     0.75  
    14       5     0.5257     0.115      0.25  
    15       5     0.885      0.4107     0.25  
    16       6     0.6397     0.7268     0.9188
    17       6     0.2732     0.9129     0.9188
    18       1     0.3333     0.6667     0.495 
    19       2     0.0056     0.7509     0.75  
    20       3     0.9691     0.5904     0.25  
    21       4     0.1444     0.6587     0.25  
    22       5     0.4107     0.5257     0.75  
    23       6     0.9129     0.6397     0.4188
    24       7     0.0        0.0        0.5   
    25       2     0.2491     0.2548     0.75  
    26       2     0.7452     0.9944     0.75  
    27       3     0.4096     0.3786     0.25  
    28       3     0.6214     0.0309     0.25  
    29       4     0.3413     0.4857     0.25  
    30       4     0.5143     0.8556     0.25  
    31       5     0.4743     0.885      0.75  
    32       5     0.115      0.5893     0.75  
    33       6     0.3603     0.2732     0.4188
    34       6     0.7268     0.0871     0.4188
    35       1     0.6667     0.3333     0.505 
    36       6     0.0871     0.3603     0.5812
    37       6     0.6397     0.7268     0.5812
    38       6     0.2732     0.9129     0.5812
    39       1     0.3333     0.6667     0.005 
    40       6     0.9129     0.6397     0.0812
    41       6     0.3603     0.2732     0.0812
    42       6     0.7268     0.0871     0.0812


X-ray density (g/cm cub.)   =      6.88

MU (1/cm) =    1283.927    Mass attenuation coefficient (cm**2/g) =    186.643

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

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

    1   Pb   ,La   ,Na       3.684        9
                                                 2.5725       4
                                                 2.6714       5
                                                 2.5725       4
                                                 2.5725       4
                                                 2.6714       5
                                                 2.6714       5
                                                 2.8769       6
                                                 2.877        6
                                                 2.8768       6
    2    Pb                  3.684        9
                                                 2.6301       6
                                                 3.1089       7
                                                 2.357        5
                                                 3.5832       4
                                                 3.1089       7
                                                 3.0651       4
                                                 2.6368       6
                                                 2.6301       6
                                                 2.6368       6
    3    P                   2.772        4
                                                 1.5283       4
                                                 1.534        6
                                                 1.555        5
                                                 1.534        6
    4    O                   3.804       11
                                                 2.5417       6
                                                 3.2003       4
                                                 3.2003       4
                                                 3.7025       5
                                                 3.7025       5
                                                 3.6543       6
                                                 2.5347       5
                                                 3.269        6
                                                 2.5417       6
                                                 3.6543       6
                                                 3.269        6
    5    O                   3.804       11
                                                 3.7025       4
                                                 3.7025       4
                                                 3.3157       5
                                                 3.3157       5
                                                 3.3459       6
                                                 3.0579       6
                                                 2.5348       4
                                                 2.4877       6
                                                 3.3459       6
                                                 3.0579       6
                                                 2.4877       6
    6    O                   3.804       10
                                                 2.5417       4
                                                 3.3045       7
                                                 3.3459       5
                                                 3.6543       4
                                                 3.0579       5
                                                 3.269        4
                                                 2.4878       5
                                                 2.4666       6
                                                 3.4605       6
                                                 3.4606       6
    7    Cl                  4.344        8
                                                 3.3045       6
                                                 3.3045       6
                                                 3.3045       6
                                                 3.6532       7
                                                 3.6532       7
                                                 3.3045       6
                                                 3.3045       6
                                                 3.3045       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   0   0  5.111  10.222   0.058  249.01    6        0.8        0.2
    2   1   0   1  7.934  15.868   0.09   102.03   12       15.7       75.7
    3   1   1   0  8.877  17.753   0.1     81.06    6       71.6      627.1
    4   2   0   0 10.264  20.527   0.116   60.08    6      197.2     3526.3
    5   1   1   1 10.771  21.542   0.121   54.36   12      198.5     6459.9
    6   2   0   1 11.949  23.897   0.134   43.78   12       48.4      310.0
    7   0   0   2 12.172  24.345   0.137   42.11    2      256.7     1395.1
    8   1   0   2 13.232  26.465   0.149   35.32   12      186.9     3723.4
    9   1   2   0 13.633  27.267   0.153   33.15    6      200.2     2005.0
   10   2   1   0 13.633  27.267   0.153   33.15    6      227.9     2597.9
   11   1   2   1 14.964  29.928   0.168   27.19   12      282.9     6563.4
   12   2   1   1 14.964  29.928   0.168   27.19   12      312.6     8012.3
   13   1   1   2 15.146  30.293   0.17    26.49   12      413.0    13632.4
   14   3   0   0 15.502  31.004   0.173   25.2     6      445.0     7529.1
   15   2   0   2 16.025  32.05    0.179   23.46   12       19.9       27.9
   16   3   0   1 16.697  33.394   0.186   21.46   12       39.3      100.0
   17   2   2   0 17.976  35.952   0.2     18.27    6       94.5      246.1
   18   1   2   2 18.437  36.873   0.205   17.28   12       81.6      346.8
   19   2   1   2 18.437  36.873   0.205   17.28   12        4.7        1.1
   20   1   3   0 18.737  37.473   0.209   16.68    6       79.1      157.3
   21   3   1   0 18.737  37.473   0.209   16.68    6       13.1        4.3
   22   2   2   1 19.034  38.068   0.212   16.11   12        7.1        2.4
   23   1   0   3 19.183  38.366   0.213   15.83   12       12.0        6.8
   24   1   3   1 19.76   39.519   0.219   14.83   12       49.4      109.2
   25   3   1   1 19.76   39.519   0.219   14.83   12        9.9        4.4
   26   3   0   2 19.903  39.806   0.221   14.59   12      115.2      583.8
   27   1   1   3 20.604  41.209   0.228   13.51   12      245.1     2448.5
   28   4   0   0 20.877  41.754   0.231   13.12    6      237.4     1115.6
   29   2   0   3 21.286  42.571   0.236   12.56   12       31.6       37.7
   30   4   0   1 21.816  43.632   0.241   11.89   12       13.1        6.1
   31   2   2   2 21.948  43.896   0.243   11.72   12      386.5     5284.3
   32   1   3   2 22.597  45.193   0.249   10.98   12      181.9     1096.1
   33   3   1   2 22.597  45.193   0.249   10.98   12      227.3     1712.2
   34   2   3   0 22.851  45.702   0.252   10.71    6      252.8     1031.9
   35   3   2   0 22.851  45.702   0.252   10.71    6      143.3      331.5
   36   1   2   3 23.232  46.464   0.256   10.31   12      281.3     2461.7
   37   2   1   3 23.232  46.464   0.256   10.31   12      254.9     2021.5
   38   2   3   1 23.728  47.455   0.261    9.83   12      280.6     2334.4
   39   3   2   1 23.728  47.455   0.261    9.83   12      233.5     1617.2
   40   1   4   0 24.096  48.191   0.265    9.49    6      303.2     1316.6
   41   4   1   0 24.096  48.191   0.265    9.49    6      386.4     2138.5
   42   4   0   2 24.461  48.921   0.269    9.17   12      413.3     4728.7
   43   3   0   3 24.462  48.923   0.269    9.17   12       43.4       52.2
   44   1   4   1 24.939  49.878   0.274    8.78   12       15.6        6.5
   45   4   1   1 24.939  49.878   0.274    8.78   12       15.7        6.5
   46   0   0   4 24.942  49.885   0.274    8.78    2      665.9     1956.8
   47   1   0   4 25.532  51.064   0.28     8.32   12        3.5        0.3
   48   2   3   2 26.224  52.448   0.287    7.83   12       45.1       48.1
   49   3   2   2 26.224  52.448   0.287    7.83   12       33.6       26.7
   50   2   2   3 26.225  52.451   0.287    7.83   12       16.7        6.6
   51   5   0   0 26.452  52.904   0.289    7.68    6       21.2        5.2
   52   1   1   4 26.683  53.366   0.291    7.53   12       91.1      188.4
   53   1   3   3 26.795  53.589   0.293    7.46   12       65.0       95.1
   54   3   1   3 26.795  53.589   0.293    7.46   12       35.7       28.6
   55   5   0   1 27.242  54.485   0.297    7.18   12       67.2       97.7
   56   2   0   4 27.245  54.491   0.297    7.18   12      149.0      480.7
   57   1   4   2 27.355  54.709   0.298    7.11   12      124.2      331.0
   58   4   1   2 27.355  54.709   0.298    7.11   12       87.6      164.7
   59   3   3   0 27.576  55.152   0.3      6.98    6      109.5      126.3
   60   2   4   0 28.126  56.253   0.306    6.68    6      231.4      539.3
   61   4   2   0 28.126  56.253   0.306    6.68    6      171.8      297.3
   62   3   3   1 28.345  56.69    0.308    6.56   12      221.2      968.3
   63   4   0   3 28.455  56.91    0.309    6.5    12       10.0        2.0
   64   2   4   1 28.886  57.771   0.314    6.29   12       20.5        7.9
   65   4   2   1 28.886  57.771   0.314    6.29   12       63.1       75.6
   66   1   2   4 28.889  57.777   0.314    6.28   12      217.1      893.3
   67   2   1   4 28.889  57.777   0.314    6.28   12      166.5      525.8
   68   5   0   2 29.527  59.054   0.32     5.98   12      209.1      788.9
   69   1   5   0 29.738  59.475   0.322    5.89    6      157.1      219.1
   70   5   1   0 29.738  59.475   0.322    5.89    6      207.2      381.4
   71   3   0   4 29.952  59.903   0.324    5.79   12      332.5     1932.3
   72   2   3   3 30.055  60.111   0.325    5.75   12      185.6      597.6
   73   3   2   3 30.055  60.111   0.325    5.75   12      239.0      991.1
   74   1   5   1 30.472  60.943   0.329    5.58   12      210.3      743.9
   75   5   1   1 30.472  60.943   0.329    5.58   12      257.1     1111.9
   76   3   3   2 30.576  61.152   0.33     5.53   12      302.8     1530.7
   77   2   4   2 31.093  62.185   0.335    5.33   12       67.3       72.9
   78   4   2   2 31.093  62.185   0.335    5.33   12       76.1       93.2
   79   1   4   3 31.094  62.187   0.335    5.33   12       35.0       19.7
   80   4   1   3 31.094  62.187   0.335    5.33   12       16.0        4.1
   81   2   2   4 31.505  63.01    0.339    5.18   12       79.6       98.9
   82   1   3   4 32.013  64.026   0.344    5.0    12        9.4        1.3
   83   3   1   4 32.013  64.026   0.344    5.0    12       47.8       34.5
   84   6   0   0 32.313  64.625   0.347    4.9     6       83.8       51.9
   85   1   0   5 32.317  64.635   0.347    4.9    12       11.5        1.9
   86   1   5   2 32.615  65.229   0.35     4.8    12       26.7       10.3
   87   5   1   2 32.615  65.229   0.35     4.8    12       70.4       71.8
   88   3   4   0 32.814  65.628   0.352    4.74    6       89.4       57.2
   89   4   3   0 32.814  65.628   0.352    4.74    6       23.0        3.8
   90   6   0   1 33.013  66.027   0.354    4.68   12       49.0       34.0
   91   5   0   3 33.114  66.229   0.355    4.65   12        5.3        0.4
   92   1   1   5 33.316  66.632   0.357    4.59   12      159.6      352.6
   93   3   4   1 33.509  67.019   0.358    4.53   12        4.3        0.3
   94   4   3   1 33.509  67.019   0.358    4.53   12       22.5        6.9
   95   4   0   4 33.512  67.024   0.358    4.53   12      220.4      664.6
   96   2   5   0 33.805  67.61    0.361    4.45    6      145.9      143.0
   97   5   2   0 33.805  67.61    0.361    4.45    6      126.8      108.0
   98   2   0   5 33.809  67.619   0.361    4.45   12       53.7       38.8
   99   3   3   3 34.101  68.202   0.364    4.37   12      184.4      448.3
  100   2   5   1 34.49   68.98    0.368    4.27   12      161.1      334.4
  101   5   2   1 34.49   68.98    0.368    4.27   12      220.8      628.1
  102   2   4   3 34.589  69.178   0.368    4.25   12       23.9        7.3
  103   4   2   3 34.589  69.178   0.368    4.25   12       77.8       77.5
  104   2   3   4 34.979  69.957   0.372    4.15   12      187.8      441.7
  105   3   2   4 34.979  69.957   0.372    4.15   12      116.6      170.3
  106   6   0   2 35.073  70.146   0.373    4.13   12      296.8     1096.6
  107   1   2   5 35.27   70.54    0.375    4.08   12      196.9      477.4
  108   2   1   5 35.27   70.54    0.375    4.08   12      255.0      800.4
  109   3   4   2 35.555  71.11    0.377    4.02   12      248.3      747.0
  110   4   3   2 35.555  71.11    0.377    4.02   12      134.0      217.5
  111   1   6   0 35.747  71.493   0.379    3.97    6      193.6      224.7
  112   6   1   0 35.747  71.493   0.379    3.97    6      172.4      178.2
  113   1   4   4 35.941  71.882   0.381    3.93   12      281.5      940.0
  114   4   1   4 35.941  71.882   0.381    3.93   12      314.1     1170.3
  115   1   5   3 36.035  72.071   0.382    3.91   12      207.1      506.0
  116   5   1   3 36.035  72.071   0.382    3.91   12      211.7      528.9
  117   3   0   5 36.229  72.459   0.384    3.87   12       25.4        7.6
  118   1   6   1 36.416  72.831   0.385    3.83   12      199.7      461.4
  119   6   1   1 36.416  72.831   0.385    3.83   12      159.0      292.2
  120   2   5   2 36.511  73.022   0.386    3.81   12      303.6     1060.5
  121   5   2   2 36.511  73.022   0.386    3.81   12      277.6      886.8
  122   2   2   5 37.65   75.299   0.396    3.6    12        6.7        0.5
  123   5   0   4 37.836  75.672   0.398    3.57   12       47.4       24.2
  124   4   4   0 38.114  76.229   0.401    3.53    6      466.8     1158.9
  125   1   3   5 38.119  76.237   0.401    3.52   12       19.5        4.0
  126   3   1   5 38.119  76.237   0.401    3.52   12       18.0        3.4
  127   1   6   2 38.396  76.791   0.403    3.48   12       65.5       45.0
  128   6   1   2 38.396  76.791   0.403    3.48   12        4.7        0.2
  129   6   0   3 38.396  76.793   0.403    3.48   12       79.6       66.5
  130   3   5   0 38.582  77.163   0.405    3.45    6       96.9       48.9
  131   5   3   0 38.582  77.163   0.405    3.45    6       23.5        2.9
  132   7   0   0 38.582  77.163   0.405    3.45    6       36.8        7.0
  133   4   4   1 38.768  77.536   0.406    3.42   12       50.0       25.8
  134   3   3   4 38.771  77.542   0.406    3.42   12      105.6      115.2
  135   3   4   3 38.863  77.725   0.407    3.41   12       15.6        2.5
  136   4   3   3 38.863  77.725   0.407    3.41   12       65.0       43.5
  137   3   5   1 39.233  78.466   0.411    3.36   12       15.2        2.3
  138   5   3   1 39.233  78.466   0.411    3.36   12        1.8        0.0
  139   7   0   1 39.233  78.466   0.411    3.36   12       20.4        4.2
  140   2   4   4 39.236  78.471   0.411    3.36   12      199.0      401.0
  141   4   2   4 39.236  78.471   0.411    3.36   12      202.8      416.3
  142   0   0   6 39.239  78.479   0.411    3.36    2      226.7       86.7
  143   4   0   5 39.516  79.031   0.413    3.32   12        6.2        0.4
  144   1   0   6 39.703  79.405   0.415    3.29   12      143.9      205.7
  145   2   5   3 39.79   79.581   0.415    3.28   12      151.3      226.5
  146   5   2   3 39.79   79.581   0.415    3.28   12      224.6      499.5
  147   2   6   0 39.974  79.947   0.417    3.26    6      178.1      155.9
  148   6   2   0 39.974  79.947   0.417    3.26    6      149.6      110.0
  149   2   6   1 40.619  81.238   0.423    3.18   12       13.4        1.7
  150   6   2   1 40.619  81.238   0.423    3.18   12        4.0        0.2
  151   1   5   4 40.622  81.244   0.423    3.18   12      160.9      248.3
  152   5   1   4 40.622  81.244   0.423    3.18   12      198.5      377.9
  153   1   1   6 40.625  81.251   0.423    3.18   12      317.2      965.3
  154   4   4   2 40.712  81.423   0.423    3.17   12       92.6       82.0
  155   2   3   5 40.899  81.798   0.425    3.15   12      245.7      573.7
  156   3   2   5 40.899  81.798   0.425    3.15   12      167.5      266.4
  157   2   0   6 41.085  82.17    0.427    3.13   12        6.0        0.3
  158   3   5   2 41.171  82.342   0.427    3.12   12      244.5      562.9
  159   5   3   2 41.171  82.342   0.427    3.12   12      130.2      159.7
  160   7   0   2 41.171  82.342   0.427    3.12   12      188.5      334.6
  161   1   6   3 41.63   83.261   0.431    3.07   12      168.6      263.6
  162   6   1   3 41.63   83.261   0.431    3.07   12      144.7      194.2
  163   1   4   5 41.816  83.632   0.433    3.06   12       12.6        1.5
  164   4   1   5 41.816  83.632   0.433    3.06   12       13.8        1.7
  165   1   7   0 42.269  84.538   0.437    3.01    6      259.6      306.5
  166   7   1   0 42.269  84.538   0.437    3.01    6      313.7      447.5
  167   1   2   6 42.458  84.916   0.438    3.0    12       14.8        2.0
  168   2   1   6 42.458  84.916   0.438    3.0    12       28.6        7.4
  169   2   6   2 42.544  85.087   0.439    2.99   12       36.0       11.7
  170   6   2   2 42.544  85.087   0.439    2.99   12        9.5        0.8
  171   1   7   1 42.908  85.816   0.442    2.96   12       22.3        4.4
  172   7   1   1 42.908  85.816   0.442    2.96   12       18.1        2.9
  173   6   0   4 42.911  85.821   0.442    2.96   12       90.6       73.3
  174   3   4   4 43.366  86.733   0.446    2.93   12       91.9       74.7
  175   4   3   4 43.366  86.733   0.446    2.93   12        9.9        0.9
  176   3   0   6 43.37   86.74    0.446    2.93   12       53.1       24.9
  177   5   0   5 43.641  87.282   0.448    2.91   12       67.4       39.8
  178   4   4   3 43.912  87.823   0.45     2.89   12       17.6        2.7
  179   4   5   0 44.092  88.184   0.452    2.88    6        9.5        0.4
  180   5   4   0 44.092  88.184   0.452    2.88    6       20.1        1.8
  181   2   5   4 44.277  88.554   0.453    2.87   12       85.2       62.8
  182   5   2   4 44.277  88.554   0.453    2.87   12      104.6       94.6
  183   3   5   3 44.367  88.733   0.454    2.86   12       20.4        3.6
  184   5   3   3 44.367  88.733   0.454    2.86   12       38.9       13.1
  185   7   0   3 44.367  88.733   0.454    2.86   12       54.1       25.3
  186   3   3   5 44.551  89.103   0.455    2.85   12      184.1      291.5
  187   4   5   1 44.729  89.458   0.457    2.84   12       26.9        6.2
  188   5   4   1 44.729  89.458   0.457    2.84   12        5.8        0.3
  189   2   2   6 44.735  89.47    0.457    2.84   12      285.8      700.3
  190   1   7   2 44.821  89.641   0.458    2.84   12       82.7       58.6
  191   7   1   2 44.821  89.641   0.458    2.84   12       81.3       56.6


  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   8.877  17.753  4.99183      627.1      4.3      4.3     5.6
    2   2   0   0  10.264  20.527  4.32306     3526.3     24.2     24.4     5.6
    3   1   1   1  10.771  21.542  4.12169     6459.9     44.3     44.6     5.6
    4   2   0   1  11.949  23.897  3.72056      310.0      2.1      2.1     5.6
    5   0   0   2  12.172  24.345  3.65315     1395.1      9.6      9.6     5.6
    6   1   0   2  13.232  26.465  3.36511     3723.4     25.5     25.6     5.6
    7   2   1   0  13.633  27.267  3.26792     4602.8     31.6     31.6     5.6
    8   2   1   1  14.964  29.928  2.98312    14575.7    100.0    100.0     5.6
    9   1   1   2  15.146  30.293  2.94804    13632.4     93.5     93.5     5.6
   10   3   0   0  15.502  31.004  2.88204     7529.1     51.7     51.6     5.6
   11   2   2   0  17.976  35.952  2.49592      246.1      1.7      1.7     5.7
   12   1   2   2  18.437  36.873  2.43562      348.0      2.4      2.4     5.7
   13   1   3   0  18.737  37.473  2.398        161.7      1.1      1.1     5.7
   14   3   0   2  19.903  39.806  2.26267      583.8      4.0      4.0     5.7
   15   1   1   3  20.604  41.209  2.18883     2448.5     16.8     16.6     5.7
   16   4   0   0  20.877  41.754  2.16153     1115.6      7.7      7.6     5.7
   17   2   2   2  21.948  43.896  2.06085     5284.3     36.3     35.8     5.7
   18   3   1   2  22.597  45.193  2.00469     2808.3     19.3     19.0     5.7
   19   2   3   0  22.851  45.702  1.98355     1363.5      9.4      9.2     5.7
   20   1   2   3  23.232  46.464  1.95279     4483.2     30.8     30.3     5.7
   21   2   3   1  23.728  47.455  1.91426     3951.7     27.1     26.6     5.7
   22   4   1   0  24.096  48.191  1.88674     3455.1     23.7     23.3     5.7
   23   4   0   2  24.461  48.921  1.86028     4781.0     32.8     32.2     5.7
   24   0   0   4  24.942  49.885  1.82658     1969.8     13.5     13.2     5.7
   25   1   1   4  26.683  53.366  1.71535      188.4      1.3      1.3     5.8
   26   2   0   4  27.245  54.491  1.68255      578.4      4.0      3.9     5.8
   27   1   4   2  27.355  54.709  1.67636      495.8      3.4      3.3     5.8
   28   2   4   0  28.126  56.253  1.63396      836.6      5.7      5.6     5.8
   29   3   3   1  28.345  56.69   1.6224       968.3      6.6      6.5     5.8
   30   2   1   4  28.889  57.777  1.59442     1502.5     10.3     10.0     5.8
   31   5   0   2  29.527  59.054  1.56297      788.9      5.4      5.2     5.8
   32   5   1   0  29.738  59.475  1.55289      600.5      4.1      4.0     5.8
   33   3   0   4  29.952  59.903  1.54282     1932.3     13.3     12.8     5.8
   34   3   2   3  30.055  60.111  1.53799     1588.6     10.9     10.5     5.8
   35   5   1   1  30.472  60.943  1.51896     1855.8     12.7     12.3     5.8
   36   3   3   2  30.576  61.152  1.51427     1530.7     10.5     10.1     5.8
   37   4   2   2  31.093  62.185  1.49156      189.8      1.3      1.3     5.8
   38   1   1   5  33.316  66.632  1.40241      352.6      2.4      2.3     5.9
   39   4   0   4  33.512  67.024  1.39515      671.5      4.6      4.4     5.9
   40   2   5   0  33.805  67.61   1.38449      289.7      2.0      1.9     5.9
   41   3   3   3  34.101  68.202  1.3739       448.3      3.1      2.9     5.9
   42   5   2   1  34.49   68.98   1.36028      962.4      6.6      6.3     5.9
   43   2   3   4  34.979  69.957  1.34366      612.0      4.2      4.0     5.9
   44   6   0   2  35.073  70.146  1.3405      1096.6      7.5      7.2     5.9
   45   2   1   5  35.27   70.54   1.33397     1277.8      8.8      8.3     5.9
   46   3   4   2  35.555  71.11   1.32467      964.5      6.6      6.3     5.9
   47   1   6   0  35.747  71.493  1.31852      402.9      2.8      2.6     5.9
   48   4   1   4  35.941  71.882  1.31234     2110.3     14.5     13.7     5.9
   49   5   1   3  36.035  72.071  1.30936     1034.9      7.1      6.7     5.9
   50   1   6   1  36.416  72.831  1.29756      753.6      5.2      4.9     6.0
   51   2   5   2  36.511  73.022  1.29463     1947.3     13.4     12.6     6.0
   52   4   4   0  38.114  76.229  1.24796     1166.4      8.0      7.5     6.0
   53   0   0   6  39.239  78.479  1.21772      910.6      6.2      5.8     6.0
   54   1   0   6  39.703  79.405  1.20582      205.7      1.4      1.3     6.0
   55   5   2   3  39.79   79.581  1.2036       726.0      5.0      4.6     6.0
   56   2   6   0  39.974  79.947  1.199        265.9      1.8      1.7     6.0
   57   1   1   6  40.625  81.251  1.18303     1593.3     10.9     10.2     6.1
   58   2   3   5  40.899  81.798  1.17648      840.2      5.8      5.4     6.1
   59   3   5   2  41.171  82.342  1.17009     1057.1      7.3      6.7     6.1
   60   1   6   3  41.63   83.261  1.1595       457.8      3.1      2.9     6.1
   61   7   1   0  42.269  84.538  1.14521      754.0      5.2      4.8     6.1
   62   5   2   4  44.277  88.554  1.10335      157.4      1.1      1.0     6.2
   63   3   3   5  44.551  89.103  1.09797      291.5      2.0      1.8     6.2
   64   2   2   6  44.735  89.47   1.09441      706.9      4.8      4.4     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)