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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TRIPLITE

2, t-triplite, g-triplite

(Fe,Mn)(2)PO(4)F


Monoclinic  I 2/a  Z = 8

I2/a

27 .5 .17

Ref.Str.:

         Vignola P., Gatta G.D., Hatert F., Guastoni A., Bersani D. (2014)

         * Canad. Mineral., 52, 235-245

         L: $Mn1.964 Fe0.036 P1 O4 F1$

         R: Locality - Codera Valley, Sondrio, Central Alps, Italy.

         N.A.D.

                   Initial data from BDM-file 

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

             a =  12.109    alpha =   90.0 
             b =   6.5162   beta  =  106.16
             c =  10.117    gamma =   90.0 

    Unit cell volume (cub. angs.) =   766.74

    Molar volume ( cub.cm/mol.) =    57.73

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

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

   1 0.1952  0.9857  0.1882   0.0    Mn    = 0.97, Fe    = 0.03
   2 0.0936  0.1459  0.4451   0.0    Mn    = 0.99, Fe    = 0.01
   3 0.0737  0.6572  0.3792   0.0    P     = 1.00
   4 0.0566  0.8313  0.4741   0.0    O     = 1.00
   5 0.9595  0.6081  0.272    0.0    O     = 1.00
   6 0.1646  0.7159  0.3068   0.0    O     = 1.00
   7 0.1172  0.4683  0.4705   0.0    O     = 1.00
   8 0.2658  0.1547  0.3728   0.0    F     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1952     0.9857     0.1882
     2       2     0.0936     0.1459     0.4451
     3       3     0.0737     0.6572     0.3792
     4       4     0.0566     0.8313     0.4741
     5       5     0.9595     0.6081     0.272 
     6       6     0.1646     0.7159     0.3068
     7       7     0.1172     0.4683     0.4705
     8       8     0.2658     0.1547     0.3728
     9       1     0.8048     0.0143     0.8118
    10       2     0.9064     0.8541     0.5549
    11       3     0.9263     0.3428     0.6208
    12       4     0.9434     0.1687     0.5259
    13       5     0.0405     0.3919     0.728 
    14       6     0.8354     0.2841     0.6932
    15       7     0.8828     0.5317     0.5295
    16       8     0.7342     0.8453     0.6272
    17       1     0.3048     0.5143     0.3118
    18       2     0.4064     0.3541     0.0549
    19       3     0.4263     0.8428     0.1208
    20       4     0.4434     0.6687     0.0259
    21       5     0.5405     0.8919     0.228 
    22       6     0.3354     0.7841     0.1932
    23       7     0.3828     0.0317     0.0295
    24       8     0.2342     0.3453     0.1272
    25       1     0.6952     0.4857     0.6882
    26       2     0.5936     0.6459     0.9451
    27       3     0.5737     0.1572     0.8792
    28       4     0.5566     0.3313     0.9741
    29       5     0.4595     0.1081     0.772 
    30       6     0.6646     0.2159     0.8068
    31       7     0.6172     0.9683     0.9705
    32       8     0.7658     0.6547     0.8728
    33       1     0.3048     0.9857     0.8118
    34       2     0.4064     0.1459     0.5549
    35       3     0.4263     0.6572     0.6208
    36       4     0.4434     0.8313     0.5259
    37       5     0.5405     0.6081     0.728 
    38       6     0.3354     0.7159     0.6932
    39       7     0.3828     0.4683     0.5295
    40       8     0.2342     0.1547     0.6272
    41       1     0.6952     0.0143     0.1882
    42       2     0.5936     0.8541     0.4451
    43       3     0.5737     0.3428     0.3792
    44       4     0.5566     0.1687     0.4741
    45       5     0.4595     0.3919     0.272 
    46       6     0.6646     0.2841     0.3068
    47       7     0.6172     0.5317     0.4705
    48       8     0.7658     0.8453     0.3728
    49       1     0.1952     0.5143     0.6882
    50       2     0.0936     0.3541     0.9451
    51       3     0.0737     0.8428     0.8792
    52       4     0.0566     0.6687     0.9741
    53       5     0.9595     0.8919     0.772 
    54       6     0.1646     0.7841     0.8068
    55       7     0.1172     0.0317     0.9705
    56       8     0.2658     0.3453     0.8728
    57       1     0.8048     0.4857     0.3118
    58       2     0.9064     0.6459     0.0549
    59       3     0.9263     0.1572     0.1208
    60       4     0.9434     0.3313     0.0259
    61       5     0.0405     0.1081     0.228 
    62       6     0.8354     0.2159     0.1932
    63       7     0.8828     0.9683     0.0295
    64       8     0.7342     0.6547     0.1272


X-ray density (g/cm cub.)   =      3.88

MU (1/cm) =      91.084    Mass attenuation coefficient (cm**2/g) =     23.49 

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

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

    1   Mn   ,Fe             2.724        6
                                                 2.2169       6
                                                 2.131        8
                                                 2.1358       6
                                                 2.5015       8
                                                 2.1622       7
                                                 2.1743       5
    2   Mn   ,Fe             2.724        6
                                                 2.1363       4
                                                 2.1257       7
                                                 2.3947       8
                                                 2.1973       4
                                                 2.1325       8
                                                 2.1244       5
    3    P                   2.232        4
                                                 1.5367       4
                                                 1.5351       5
                                                 1.5305       6
                                                 1.5414       7
    4    O                   3.264        7
                                                 2.5178       5
                                                 2.5241       6
                                                 2.4796       7
                                                 2.7186       4
                                                 3.0346       7
                                                 3.1002       8
                                                 3.0361       5
    5    O                   3.264        8
                                                 2.5178       4
                                                 2.5097       6
                                                 2.525        7
                                                 3.0401       7
                                                 3.2036       8
                                                 3.0361       4
                                                 2.9596       6
                                                 2.7308       8
    6    O                   3.264        6
                                                 2.5241       4
                                                 2.5097       5
                                                 2.4913       7
                                                 3.1094       8
                                                 2.668        6
                                                 2.9596       5
    7    O                   3.264        9
                                                 2.4796       4
                                                 2.525        5
                                                 2.4913       6
                                                 3.0632       8
                                                 3.0346       4
                                                 3.0401       5
                                                 3.0857       7
                                                 3.104        7
                                                 2.7286       8
    8    F                   3.228        8
                                                 3.1094       6
                                                 3.0632       7
                                                 2.7081       8
                                                 3.1002       4
                                                 2.7286       7
                                                 2.7054       8
                                                 3.2036       5
                                                 2.7308       5

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   2   0   0  8.848  17.696   0.086   81.6     2        1.0        0.0
    2   1   1   0  9.053  18.105   0.088   77.85    4       30.5       49.2
    3   0   1   1  9.513  19.026   0.092   70.3     4       19.5       18.1
    4   0   0   2 10.609  21.217   0.103   56.11    2       23.3       10.4
    5   2   0  -2 11.796  23.591   0.114   44.98    2       23.0        8.1
    6   2   1  -1 11.981  23.962   0.116   43.53    4       52.2       80.7
    7   1   1  -2 13.021  26.043   0.126   36.54    4       42.5       44.9
    8   2   1   1 14.04   28.08    0.136   31.15    4      153.2      497.6
    9   1   1   2 14.947  29.895   0.144   27.25    4      118.9      262.1
   10   3   1   0 15.573  31.146   0.15    24.95    4        2.1        0.1
   11   2   0   2 15.71   31.419   0.151   24.49    2      299.9      749.2
   12   0   2   0 15.934  31.869   0.153   23.75    2       46.1       17.2
   13   3   1  -2 16.674  33.347   0.16    21.53    4       34.5       17.4
   14   1   2  -1 17.034  34.069   0.164   20.55    4      263.5      971.0
   15   1   2   1 17.824  35.649   0.171   18.61    4        4.8        0.3
   16   4   0   0 17.916  35.832   0.172   18.41    2       95.0       56.5
   17   0   1   3 17.962  35.923   0.172   18.3     4      208.4      540.9
   18   2   1  -3 17.963  35.926   0.172   18.3     4        3.6        0.2
   19   4   0  -2 18.147  36.293   0.174   17.9     2      422.0     1084.5
   20   2   2   0 18.342  36.684   0.176   17.48    4      121.8      176.4
   21   4   1  -1 19.018  38.036   0.182   16.14    4      103.3      117.3
   22   0   2   2 19.302  38.604   0.185   15.62    4      102.5      111.7
   23   2   2  -2 20.016  40.032   0.191   14.41    4      162.7      259.5
   24   3   2  -1 20.727  41.453   0.198   13.33    4      145.8      192.8
   25   2   0  -4 20.938  41.875   0.2     13.03    2      189.8      159.8
   26   3   1   2 21.101  42.202   0.201   12.81    4       47.9       20.0
   27   0   0   4 21.604  43.209   0.206   12.15    2        9.3        0.4
   28   4   1   1 21.783  43.566   0.207   11.93    4       96.8       76.1
   29   2   1   3 22.17   44.34    0.211   11.46    4       53.9       22.6
   30   4   1  -3 22.174  44.348   0.211   11.46    4       57.1       25.4
   31   1   1  -4 22.347  44.694   0.213   11.26    4       97.8       73.3
   32   1   2  -3 22.441  44.882   0.213   11.15    4       19.4        2.9
   33   2   2   2 22.68   45.361   0.216   10.89    4       89.7       59.6
   34   3   2   1 22.698  45.395   0.216   10.87    4       55.6       22.8
   35   4   0   2 23.582  47.164   0.224    9.97    2      106.4       38.4
   36   3   1  -4 23.606  47.212   0.224    9.95    4       63.3       27.1
   37   5   1  -2 23.671  47.342   0.224    9.88    4      129.2      112.3
   38   5   1   0 24.098  48.196   0.228    9.49    4       34.6        7.7
   39   4   0  -4 24.132  48.264   0.229    9.46    2      101.1       32.9
   40   1   2   3 24.301  48.603   0.23     9.31    4      153.0      148.3
   41   3   2  -3 24.304  48.607   0.23     9.31    4        7.4        0.3
   42   4   2   0 24.35   48.7     0.23     9.27    4       30.3        5.8
   43   4   2  -2 24.53   49.061   0.232    9.12    4      113.7       80.1
   44   1   3   0 24.766  49.533   0.234    8.92    4       51.9       16.4
   45   1   1   4 24.811  49.622   0.235    8.88    4      104.4       65.8
   46   0   3   1 24.959  49.917   0.236    8.76    4      216.1      278.3
   47   2   0   4 25.897  51.793   0.244    8.06    2      304.1      253.4
   48   2   3  -1 26.121  52.241   0.246    7.9     4       64.6       22.4
   49   6   0  -2 26.531  53.063   0.25     7.62    2       75.1       14.6
   50   1   3  -2 26.673  53.345   0.251    7.53    4       64.0       21.0
   51   2   2  -4 26.784  53.569   0.252    7.46    4      104.3       55.2
   52   2   3   1 27.246  54.492   0.256    7.18    4      107.7       56.7
   53   0   2   4 27.341  54.681   0.257    7.12    4       53.2       13.7
   54   5   2  -1 27.415  54.831   0.257    7.08    4       39.6        7.6
   55   6   0   0 27.48   54.96    0.258    7.04    2      160.2       61.5
   56   2   1  -5 27.619  55.238   0.259    6.96    4       63.9       19.4
   57   6   1  -1 27.736  55.472   0.26     6.89    4      204.4      196.0
   58   1   3   2 27.783  55.565   0.261    6.87    4        1.6        0.0
   59   3   3   0 28.166  56.332   0.264    6.66    4       88.6       35.5
   60   5   1  -4 28.211  56.422   0.264    6.63    4       79.4       28.4
   61   0   1   5 28.703  57.407   0.268    6.38    4      156.9      106.8
   62   3   3  -2 28.866  57.732   0.27     6.3     4       37.3        5.9
   63   4   2   2 29.025  58.051   0.271    6.22    4        5.5        0.1
   64   4   1   3 29.133  58.267   0.272    6.17    4       62.5       16.4
   65   6   1  -3 29.138  58.277   0.272    6.16    4      112.1       52.7
   66   5   1   2 29.334  58.668   0.274    6.07    4       18.4        1.4
   67   3   2   3 29.355  58.711   0.274    6.06    4       69.1       19.7
   68   5   2  -3 29.359  58.719   0.274    6.06    4      185.8      142.3
   69   4   2  -4 29.503  59.005   0.275    5.99    4      176.8      127.5
   70   0   3   3 29.724  59.448   0.277    5.89    4       40.6        6.6
   71   2   3  -3 29.725  59.45    0.277    5.89    4       86.3       29.9
   72   4   1  -5 29.767  59.534   0.278    5.88    4      163.9      107.4
   73   5   2   1 30.093  60.186   0.28     5.73    4      139.2       75.6
   74   6   0  -4 30.259  60.517   0.282    5.66    2       23.8        1.1
   75   3   1   4 30.325  60.65    0.282    5.64    4      154.6       91.7
   76   4   3  -1 30.456  60.912   0.283    5.58    4      194.9      144.3
   77   6   1   1 30.91   61.82    0.287    5.4     4       29.9        3.3
   78   2   2   4 31.055  62.111   0.288    5.35    4       86.9       27.5
   79   1   2  -5 31.526  63.051   0.292    5.17    4       24.7        2.2
   80   6   2  -2 31.622  63.243   0.293    5.14    4       92.0       29.6
   81   3   3   2 31.97   63.94    0.296    5.02    4       71.5       17.4
   82   3   2  -5 32.032  64.064   0.296    5.0     4      120.7       49.5
   83   2   0  -6 32.037  64.074   0.297    4.99    2      171.4       49.9
   84   7   1  -2 32.417  64.834   0.3      4.87    4       43.9        6.4
   85   6   2   0 32.475  64.95    0.3      4.85    4       98.1       31.8
   86   4   3   1 32.485  64.969   0.3      4.85    4       90.7       27.1
   87   2   3   3 32.781  65.561   0.303    4.75    4      286.7      265.8
   88   4   3  -3 32.783  65.567   0.303    4.75    4      109.8       39.0
   89   4   0   4 32.787  65.575   0.303    4.75    2        7.0        0.1
   90   2   1   5 32.818  65.635   0.303    4.74    4      169.7       92.9
   91   6   0   2 32.841  65.682   0.303    4.73    2      304.9      149.7
   92   1   3  -4 32.916  65.833   0.304    4.71    4       57.8       10.7
   93   0   4   0 33.303  66.606   0.307    4.59    2       67.4        7.1
   94   0   0   6 33.524  67.049   0.309    4.53    2       46.4        3.3
   95   4   0  -6 33.528  67.056   0.309    4.53    2       43.5        2.9
   96   1   1  -6 33.594  67.187   0.309    4.51    4       35.2        3.8
   97   3   1  -6 33.596  67.191   0.309    4.51    4       79.4       19.4
   98   7   1   0 33.75   67.5     0.311    4.47    4      137.2       57.2
   99   3   3  -4 33.901  67.802   0.312    4.43    4      105.1       33.3
  100   1   4  -1 33.952  67.904   0.312    4.41    4      121.0       43.9
  101   5   3  -2 33.953  67.905   0.312    4.41    4       16.2        0.8
  102   1   2   5 34.007  68.014   0.313    4.4     4      107.3       34.4
  103   5   3   0 34.293  68.586   0.315    4.32    4        9.5        0.3
  104   1   4   1 34.438  68.876   0.316    4.28    4        6.7        0.1
  105   2   4   0 34.765  69.529   0.319    4.2     4      171.7       84.3
  106   6   1  -5 34.779  69.558   0.319    4.2     4       67.7       13.1
  107   1   3   4 34.868  69.736   0.32     4.18    4       17.8        0.9
  108   6   2  -4 35.018  70.036   0.321    4.14    4      122.8       42.5
  109   7   1  -4 35.298  70.596   0.323    4.07    4       12.8        0.5
  110   0   4   2 35.388  70.776   0.324    4.05    4      144.8       57.9
  111   5   2  -5 35.459  70.918   0.324    4.04    4      155.1       66.1
  112   2   4  -2 35.866  71.731   0.328    3.95    4      173.6       81.0
  113   7   2  -1 36.035  72.07    0.329    3.91    4      143.6       54.9
  114   8   0  -2 36.234  72.467   0.33     3.87    2      139.3       25.5
  115   3   4  -1 36.353  72.706   0.331    3.85    4       15.9        0.7
  116   1   1   6 36.477  72.953   0.332    3.82    4      126.6       41.7
  117   5   1  -6 36.482  72.964   0.332    3.82    4      123.5       39.6
  118   2   2  -6 36.677  73.354   0.334    3.78    4       12.4        0.4
  119   5   2   3 36.786  73.572   0.335    3.76    4      100.5       25.8
  120   7   2  -3 36.792  73.583   0.335    3.76    4      124.4       39.6
  121   2   3  -5 37.207  74.414   0.338    3.68    4      220.0      121.3
  122   6   3  -1 37.307  74.613   0.339    3.66    4       43.0        4.6
  123   4   2   4 37.383  74.766   0.339    3.65    4      168.2       70.3
  124   6   2   2 37.434  74.867   0.34     3.64    4       75.6       14.2
  125   1   4  -3 37.573  75.146   0.341    3.62    4       75.9       14.2
  126   5   3  -4 37.714  75.428   0.342    3.59    4       72.2       12.8
  127   8   1  -1 37.721  75.442   0.342    3.59    4       59.8        8.7
  128   2   4   2 37.749  75.497   0.342    3.59    4       70.3       12.1
  129   3   4   1 37.761  75.523   0.342    3.58    4      133.4       43.4
  130   2   0   6 37.819  75.637   0.343    3.57    2       54.8        3.7
  131   6   0  -6 37.826  75.652   0.343    3.57    2      242.3       71.4
  132   8   0   0 37.97   75.94    0.344    3.55    2      163.5       32.3
  133   6   1   3 37.995  75.99    0.344    3.54    4       67.8       11.1
  134   8   1  -3 38.001  76.002   0.344    3.54    4      141.1       48.0
  135   0   2   6 38.08   76.16    0.345    3.53    4       81.2       15.8
  136   4   2  -6 38.084  76.167   0.345    3.53    4      103.0       25.5
  137   5   1   4 38.121  76.241   0.345    3.52    4       93.5       20.9
  138   0   3   5 38.14   76.279   0.345    3.52    4      124.7       37.2
  139   4   3   3 38.514  77.027   0.348    3.46    4      130.5       40.1
  140   6   3  -3 38.518  77.036   0.348    3.46    4       81.8       15.8
  141   8   0  -4 38.528  77.056   0.348    3.46    2      189.1       42.1
  142   5   3   2 38.689  77.378   0.349    3.44    4        9.0        0.2
  143   1   4   3 38.966  77.933   0.352    3.39    4       60.4        8.4
  144   3   4  -3 38.968  77.936   0.352    3.39    4        8.3        0.2
  145   4   4   0 39.004  78.008   0.352    3.39    4       35.2        2.9
  146   4   3  -5 39.069  78.138   0.352    3.38    4       99.9       22.9
  147   7   1   2 39.098  78.196   0.353    3.38    4      101.9       23.8
  148   4   4  -2 39.142  78.285   0.353    3.37    4       70.9       11.5
  149   3   2   5 39.204  78.408   0.353    3.36    4       56.1        7.2
  150   7   2   1 39.304  78.608   0.354    3.35    4       75.5       13.0
  151   2   1  -7 39.378  78.756   0.355    3.34    4      171.3       66.6
  152   4   1   5 39.472  78.943   0.355    3.32    4      102.7       23.9
  153   3   3   4 39.562  79.125   0.356    3.31    4        8.6        0.2
  154   6   3   1 40.084  80.168   0.36     3.24    4      191.6       81.0
  155   4   1  -7 40.299  80.597   0.362    3.22    4      123.2       33.2
  156   8   2  -2 40.672  81.343   0.364    3.17    4       71.4       11.0
  157   2   4  -4 40.928  81.857   0.366    3.15    4        6.9        0.1
  158   0   1   7 41.208  82.417   0.368    3.12    4        8.8        0.2
  159   0   4   4 41.383  82.766   0.37     3.1     4       36.9        2.9
  160   8   1   1 41.402  82.804   0.37     3.1     4       11.6        0.3
  161   5   4  -1 41.445  82.89    0.37     3.09    4        4.9        0.1
  162   7   3  -2 41.445  82.891   0.37     3.09    4       59.7        7.5
  163   7   2  -5 41.501  83.003   0.37     3.09    4        3.5        0.0
  164   6   0   4 41.731  83.461   0.372    3.06    2      126.2       16.6
  165   2   3   5 41.812  83.623   0.373    3.06    4      171.4       61.1
  166   3   1   6 42.017  84.034   0.374    3.04    4       30.1        1.9
  167   7   1  -6 42.026  84.051   0.374    3.04    4      113.5       26.6
  168   2   2   6 42.208  84.415   0.376    3.02    4      111.6       25.6
  169   6   2  -6 42.214  84.429   0.376    3.02    4       97.7       19.6
  170   8   1  -5 42.221  84.442   0.376    3.02    4       94.8       18.4
  171   8   2   0 42.355  84.71    0.377    3.01    4       45.0        4.1
  172   1   3  -6 42.526  85.052   0.378    2.99    4       32.5        2.1
  173   3   3  -6 42.528  85.056   0.378    2.99    4       74.7       11.4
  174   7   3   0 42.671  85.342   0.379    2.98    4       33.6        2.3
  175   9   1  -2 42.756  85.513   0.379    2.97    4        2.6        0.0
  176   3   2  -7 42.765  85.529   0.38     2.97    4       93.9       17.8
  177   4   4   2 42.793  85.587   0.38     2.97    4       10.3        0.2
  178   8   2  -4 42.899  85.799   0.381    2.96    4        7.1        0.1
  179   3   4   3 43.075  86.15    0.382    2.95    4       32.4        2.1
  180   5   4  -3 43.078  86.157   0.382    2.95    4      149.2       44.6
  181   4   4  -4 43.201  86.403   0.383    2.94    4      165.7       54.9
  182   1   2  -7 43.215  86.431   0.383    2.94    4       41.8        3.5
  183   8   0   2 43.594  87.188   0.385    2.91    2       42.1        1.8
  184   6   3  -5 43.631  87.262   0.386    2.91    4       26.0        1.3
  185   1   5   0 43.68   87.36    0.386    2.91    4       97.4       18.7
  186   5   4   1 43.711  87.423   0.386    2.9     4       22.3        1.0
  187   0   5   1 43.827  87.654   0.387    2.9     4       60.1        7.1
  188   6   1  -7 43.936  87.873   0.388    2.89    4       30.9        1.9
  189   7   3  -4 44.119  88.238   0.389    2.88    4        3.3        0.0
  190   9   1  -4 44.52   89.041   0.392    2.85    4       24.7        1.2
  191   2   4   4 44.555  89.109   0.392    2.85    4       64.7        8.1
  192   4   0   6 44.669  89.339   0.393    2.85    2       93.4        8.4
  193   8   0  -6 44.68   89.36    0.393    2.84    2        4.9        0.0
  194   2   5  -1 44.731  89.462   0.393    2.84    4       15.8        0.5
  195   9   1   0 44.881  89.762   0.394    2.83    4       10.5        0.2
  196   1   4  -5 44.972  89.944   0.395    2.83    4       44.6        3.8


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (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   9.053  18.105  5.68478       49.2      4.5      4.6     5.6
    2   0   1   1   9.513  19.026  5.41201       18.1      1.7      1.7     5.6
    3   2   1  -1  11.981  23.962  4.30884       80.7      7.4      7.5     5.6
    4   1   1  -2  13.021  26.043  3.96979       44.9      4.1      4.2     5.6
    5   2   1   1  14.04   28.08   3.68699      497.6     45.9     46.2     5.6
    6   1   1   2  14.947  29.895  3.46779      262.1     24.2     24.3     5.6
    7   2   0   2  15.71   31.419  3.30349      749.2     69.1     69.4     5.6
    8   0   2   0  15.934  31.869  3.2581        17.2      1.6      1.6     5.6
    9   3   1  -2  16.674  33.347  3.11748       17.4      1.6      1.6     5.7
   10   1   2  -1  17.034  34.069  3.05335      971.0     89.5     89.7     5.7
   11   4   0   0  17.916  35.832  2.90764       56.5      5.2      5.2     5.7
   12   0   1   3  17.962  35.923  2.9005       541.1     49.9     49.9     5.7
   13   4   0  -2  18.147  36.293  2.87193     1084.5    100.0    100.0     5.7
   14   2   2   0  18.342  36.684  2.84239      176.4     16.3     16.3     5.7
   15   4   1  -1  19.018  38.036  2.74491      117.3     10.8     10.8     5.7
   16   0   2   2  19.302  38.604  2.70601      111.7     10.3     10.3     5.7
   17   2   2  -2  20.016  40.032  2.61323      259.5     23.9     23.8     5.7
   18   3   2  -1  20.727  41.453  2.52738      192.8     17.8     17.7     5.7
   19   2   0  -4  20.938  41.875  2.50302      159.8     14.7     14.7     5.7
   20   3   1   2  21.101  42.202  2.48453       20.0      1.8      1.8     5.7
   21   4   1   1  21.783  43.566  2.41034       76.1      7.0      7.0     5.7
   22   4   1  -3  22.174  44.348  2.36994       48.0      4.4      4.4     5.7
   23   1   1  -4  22.347  44.694  2.35252       73.3      6.8      6.7     5.7
   24   2   2   2  22.68   45.361  2.31971       82.5      7.6      7.5     5.7
   25   4   0   2  23.582  47.164  2.23581       65.5      6.0      6.0     5.7
   26   5   1  -2  23.671  47.342  2.22786      112.3     10.4     10.2     5.7
   27   4   0  -4  24.132  48.264  2.18779       32.9      3.0      3.0     5.7
   28   1   2   3  24.301  48.603  2.17347      148.6     13.7     13.5     5.7
   29   4   2  -2  24.53   49.061  2.15442       80.1      7.4      7.3     5.7
   30   1   3   0  24.766  49.533  2.13515       16.4      1.5      1.5     5.7
   31   1   1   4  24.811  49.622  2.13156       65.8      6.1      6.0     5.7
   32   0   3   1  24.959  49.917  2.11976      278.3     25.7     25.3     5.7
   33   2   0   4  25.897  51.793  2.048        253.4     23.4     23.0     5.8
   34   2   3  -1  26.121  52.241  2.03165       22.4      2.1      2.0     5.8
   35   6   0  -2  26.531  53.063  2.00243       14.6      1.4      1.3     5.8
   36   1   3  -2  26.673  53.345  1.99259       21.0      1.9      1.9     5.8
   37   2   2  -4  26.784  53.569  1.9849        55.2      5.1      5.0     5.8
   38   2   3   1  27.246  54.492  1.95377       56.7      5.2      5.1     5.8
   39   0   2   4  27.341  54.681  1.94754       13.7      1.3      1.2     5.8
   40   6   0   0  27.48   54.96   1.93843       61.5      5.7      5.6     5.8
   41   2   1  -5  27.619  55.238  1.92941       19.4      1.8      1.7     5.8
   42   6   1  -1  27.736  55.472  1.92192      196.0     18.1     17.7     5.8
   43   3   3   0  28.166  56.332  1.89493       35.5      3.3      3.2     5.8
   44   5   1  -4  28.211  56.422  1.89216       28.4      2.6      2.6     5.8
   45   0   1   5  28.703  57.407  1.86238      106.8      9.8      9.6     5.8
   46   6   1  -3  29.138  58.277  1.83697       69.1      6.4      6.2     5.8
   47   5   2  -3  29.359  58.719  1.82436      163.4     15.1     14.7     5.8
   48   4   2  -4  29.503  59.005  1.8163       127.5     11.8     11.5     5.8
   49   2   3  -3  29.725  59.45   1.80395       36.5      3.4      3.3     5.8
   50   4   1  -5  29.767  59.534  1.80162      107.4      9.9      9.6     5.8
   51   5   2   1  30.093  60.186  1.7839        75.6      7.0      6.8     5.8
   52   3   1   4  30.325  60.65   1.77155       91.7      8.5      8.2     5.8
   53   4   3  -1  30.456  60.912  1.76465      144.3     13.3     12.9     5.8
   54   2   2   4  31.055  62.111  1.7339        27.5      2.5      2.5     5.8
   55   6   2  -2  31.622  63.243  1.70598       29.6      2.7      2.6     5.9
   56   3   3   2  31.97   63.94   1.68933       17.4      1.6      1.6     5.9
   57   2   0  -6  32.037  64.074  1.68617       99.4      9.2      8.9     5.9
   58   6   2   0  32.475  64.95   1.66588       58.9      5.4      5.2     5.9
   59   2   3   3  32.781  65.561  1.65206      304.8     28.1     27.1     5.9
   60   6   0   2  32.841  65.682  1.64935      242.6     22.4     21.6     5.9
   61   3   1  -6  33.596  67.191  1.61652       23.2      2.1      2.1     5.9
   62   7   1   0  33.75   67.5    1.60999       57.2      5.3      5.1     5.9
   63   3   3  -4  33.901  67.802  1.60368       33.3      3.1      2.9     5.9
   64   1   4  -1  33.952  67.904  1.60154       44.7      4.1      4.0     5.9
   65   1   2   5  34.007  68.014  1.59927       34.4      3.2      3.0     5.9
   66   2   4   0  34.765  69.529  1.56866       97.3      9.0      8.6     5.9
   67   6   2  -4  35.018  70.036  1.55874       42.5      3.9      3.7     5.9
   68   0   4   2  35.388  70.776  1.54454       57.9      5.3      5.1     5.9
   69   5   2  -5  35.459  70.918  1.54184       66.1      6.1      5.8     5.9
   70   2   4  -2  35.866  71.731  1.52668       81.0      7.5      7.1     5.9
   71   7   2  -1  36.035  72.07   1.52047       54.9      5.1      4.8     5.9
   72   8   0  -2  36.234  72.467  1.51327       25.5      2.4      2.2     5.9
   73   1   1   6  36.477  72.953  1.50457       81.3      7.5      7.1     6.0
   74   7   2  -3  36.792  73.583  1.49349       65.4      6.0      5.7     6.0
   75   2   3  -5  37.207  74.414  1.47919      121.3     11.2     10.6     6.0
   76   4   2   4  37.383  74.766  1.47324       70.3      6.5      6.1     6.0
   77   6   2   2  37.434  74.867  1.47154       14.2      1.3      1.2     6.0
   78   1   4  -3  37.573  75.146  1.46687       14.2      1.3      1.2     6.0
   79   5   3  -4  37.714  75.428  1.46221       21.5      2.0      1.9     6.0
   80   3   4   1  37.761  75.523  1.46064       55.5      5.1      4.8     6.0
   81   6   0  -6  37.826  75.652  1.45853       75.0      6.9      6.5     6.0
   82   8   0   0  37.97   75.94   1.45382       43.4      4.0      3.8     6.0
   83   8   1  -3  38.001  76.002  1.45281       48.0      4.4      4.2     6.0
   84   4   2  -6  38.084  76.167  1.45014       41.3      3.8      3.6     6.0
   85   0   3   5  38.14   76.279  1.44833       58.2      5.4      5.1     6.0
   86   8   0  -4  38.528  77.056  1.43597       98.0      9.0      8.5     6.0
   87   7   1   2  39.098  78.196  1.41832       46.8      4.3      4.1     6.0
   88   4   4  -2  39.142  78.285  1.41697       11.5      1.1      1.0     6.0
   89   7   2   1  39.304  78.608  1.41208       13.0      1.2      1.1     6.0
   90   2   1  -7  39.378  78.756  1.40985       66.6      6.1      5.8     6.0
   91   4   1   5  39.472  78.943  1.40706       23.9      2.2      2.1     6.0
   92   6   3   1  40.084  80.168  1.38911       81.0      7.5      7.0     6.0
   93   4   1  -7  40.299  80.597  1.38296       33.2      3.1      2.9     6.1
   94   8   2  -2  40.672  81.343  1.37245       11.0      1.0      0.9     6.1
   95   6   0   4  41.731  83.461  1.34378       16.6      1.5      1.4     6.1
   96   2   3   5  41.812  83.623  1.34166       61.1      5.6      5.2     6.1
   97   7   1  -6  42.026  84.051  1.33609       28.5      2.6      2.4     6.1
   98   2   2   6  42.208  84.415  1.3314        63.6      5.9      5.4     6.1
   99   3   3  -6  42.528  85.056  1.32326       13.5      1.2      1.2     6.1
  100   3   2  -7  42.765  85.529  1.31734       18.0      1.7      1.5     6.1
  101   5   4  -3  43.078  86.157  1.30961       46.7      4.3      4.0     6.1
  102   4   4  -4  43.201  86.403  1.30661       58.4      5.4      5.0     6.1
  103   1   5   0  43.68   87.36   1.29513       18.7      1.7      1.6     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)