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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POTASSIC_CHLOROHASTINGSITE

1, f-amphiboles, sf-pargasite, s-hastingsite, DF

(K,Na)(Ca,Mn)(2)(Fe,Mg)(4)Fe[(Si,Al)(8)O(22)]Cl(1.4)(OH,F)(0.6)


Monoclinic  C 2/m  Z = 2

R =0.059          NR =485

5 .3 .1996

Ref.Str.:

         Rastsvetaeva R.K., Pushcharovskii D.Yu., Vinogradova R.A.,

         Pekov I.V. (1996)

         * Kristallogr., 41, 1, 65-69

Reserv:

         Dashkesanite.

         K(0.4)Na(0.6)[Ca(1.95)Mn(0.5)][Fe(0.8)Mg(0.2)][Fe(0.85)Mg(0.15)]Fe*

         {[Si(2.9)Al(1.1)][Si(3.4)Al(0.6)]O(22)}Cl(1.4)(OH,F)(0.6)  D.T.N.

                   Initial data from BDM-file 

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

             a =   9.964    alpha =   90.0 
             b =  18.31     beta  =  105.0 
             c =   5.351    gamma =   90.0 

    Unit cell volume (cub. angs.) =   942.98

    Molar volume ( cub.cm/mol.) =   283.99

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

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

   1 0.0     0.0961  0.5      1.9    Fe    = 0.8 , Mg    = 0.2 
   2 0.0     0.1793  0.0      2.2    Fe    = 0.85, Mg    = 0.15
   3 0.0     0.0     0.0      2.2    Fe    = 1.00
   4 0.0     0.282   0.5      2.2    Ca    = 0.95, Mn    = 0.05
   5 0.2769  0.0855  0.3      1.8    Si    = 0.7 , Al    = 0.3 
   6 0.2923  0.1731  0.813    1.7    Si    = 0.85, Al    = 0.15
   7 0.0     0.5     0.0      2.6    K     = 0.3 , Na    = 0.13
   8 0.032   0.5     0.06     2.5    K     = 0.08, Na    = 0.1 
   9 0.0     0.479   0.0      2.0    K     = 0.08, K     = 0.0 
  10 0.102   0.0913  0.216    2.1    O     = 1.00
  11 0.119   0.1791  0.733    2.4    O     = 1.00
  12 0.082   0.0     0.69     3.0    OH    = 0.14, F     = 0.14
  13 0.161   0.0     0.733    2.0    Cl    = 0.7 , Cl    = 0.0 
  14 0.369   0.2491  0.798    2.1    O     = 1.00
  15 0.346   0.1359  0.103    2.1    O     = 1.00
  16 0.342   0.123   0.59     2.7    O     = 1.00
  17 0.332   0.0     0.302    2.5    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0961     0.5   
     2       2     0.0        0.1793     0.0   
     3       3     0.0        0.0        0.0   
     4       4     0.0        0.282      0.5   
     5       5     0.2769     0.0855     0.3   
     6       6     0.2923     0.1731     0.813 
     7       7     0.0        0.5        0.0   
     8       8     0.032      0.5        0.06  
     9       9     0.0        0.479      0.0   
    10      10     0.102      0.0913     0.216 
    11      11     0.119      0.1791     0.733 
    12      12     0.082      0.0        0.69  
    13      13     0.161      0.0        0.733 
    14      14     0.369      0.2491     0.798 
    15      15     0.346      0.1359     0.103 
    16      16     0.342      0.123      0.59  
    17      17     0.332      0.0        0.302 
    18       1     0.0        0.9039     0.5   
    19       2     0.0        0.8207     0.0   
    20       4     0.0        0.718      0.5   
    21       5     0.7231     0.9145     0.7   
    22       6     0.7077     0.8269     0.187 
    23       8     0.968      0.5        0.94  
    24       9     0.0        0.521      0.0   
    25      10     0.898      0.9087     0.784 
    26      11     0.881      0.8209     0.267 
    27      12     0.918      0.0        0.31  
    28      13     0.839      0.0        0.267 
    29      14     0.631      0.7509     0.202 
    30      15     0.654      0.8641     0.897 
    31      16     0.658      0.877      0.41  
    32      17     0.668      0.0        0.698 
    33       5     0.2769     0.9145     0.3   
    34       6     0.2923     0.8269     0.813 
    35      10     0.102      0.9087     0.216 
    36      11     0.119      0.8209     0.733 
    37      14     0.369      0.7509     0.798 
    38      15     0.346      0.8641     0.103 
    39      16     0.342      0.877      0.59  
    40       5     0.7231     0.0855     0.7   
    41       6     0.7077     0.1731     0.187 
    42      10     0.898      0.0913     0.784 
    43      11     0.881      0.1791     0.267 
    44      14     0.631      0.2491     0.202 
    45      15     0.654      0.1359     0.897 
    46      16     0.658      0.123      0.41  
    47       1     0.5        0.4039     0.5   
    48       2     0.5        0.3207     0.0   
    49       3     0.5        0.5        0.0   
    50       4     0.5        0.218      0.5   
    51       5     0.7769     0.4145     0.3   
    52       6     0.7923     0.3269     0.813 
    53       7     0.5        0.0        0.0   
    54       8     0.532      0.0        0.06  
    55       9     0.5        0.021      0.0   
    56      10     0.602      0.4087     0.216 
    57      11     0.619      0.3209     0.733 
    58      12     0.582      0.5        0.69  
    59      13     0.661      0.5        0.733 
    60      14     0.869      0.2509     0.798 
    61      15     0.846      0.3641     0.103 
    62      16     0.842      0.377      0.59  
    63      17     0.832      0.5        0.302 
    64       1     0.5        0.5961     0.5   
    65       2     0.5        0.6793     0.0   
    66       4     0.5        0.782      0.5   
    67       5     0.2231     0.5855     0.7   
    68       6     0.2077     0.6731     0.187 
    69       8     0.468      0.0        0.94  
    70       9     0.5        0.979      0.0   
    71      10     0.398      0.5913     0.784 
    72      11     0.381      0.6791     0.267 
    73      12     0.418      0.5        0.31  
    74      13     0.339      0.5        0.267 
    75      14     0.131      0.7491     0.202 
    76      15     0.154      0.6359     0.897 
    77      16     0.158      0.623      0.41  
    78      17     0.168      0.5        0.698 
    79       5     0.7769     0.5855     0.3   
    80       6     0.7923     0.6731     0.813 
    81      10     0.602      0.5913     0.216 
    82      11     0.619      0.6791     0.733 
    83      14     0.869      0.7491     0.798 
    84      15     0.846      0.6359     0.103 
    85      16     0.842      0.623      0.59  
    86       5     0.2231     0.4145     0.7   
    87       6     0.2077     0.3269     0.187 
    88      10     0.398      0.4087     0.784 
    89      11     0.381      0.3209     0.267 
    90      14     0.131      0.2509     0.202 
    91      15     0.154      0.3641     0.897 
    92      16     0.158      0.377      0.41  


X-ray density (g/cm cub.)   =      3.54

MU (1/cm) =     253.907    Mass attenuation coefficient (cm**2/g) =     71.757

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

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

    1   Fe   ,Mg             3.132        8
                                                 2.0371      10
                                                 2.1224      11
                                                 2.0898      12
                                                 2.4877      13
                                                 2.0898      12
                                                 2.4877      13
                                                 2.0371      10
                                                 2.1224      11
    2   Fe   ,Mg             3.132        6
                                                 2.0873      10
                                                 2.0794      11
                                                 2.0873      10
                                                 2.0794      11
                                                 1.9648      14
                                                 1.9648      14
    3    Fe                  3.132        8
                                                 2.1343      10
                                                 2.03        12
                                                 2.4085      13
                                                 2.1343      10
                                                 2.03        12
                                                 2.4085      13
                                                 2.1343      10
                                                 2.1343      10
    4   Ca   ,Mn             3.42         8
                                                 2.3969      11
                                                 2.3969      11
                                                 2.3766      14
                                                 2.7276      15
                                                 2.4756      16
                                                 2.3766      14
                                                 2.7276      15
                                                 2.4756      16
    5   Si   ,Al             2.856        4
                                                 1.6867      10
                                                 1.6771      15
                                                 1.6671      16
                                                 1.6581      17
    6   Si   ,Al             2.856        4
                                                 1.6716      11
                                                 1.5996      14
                                                 1.6518      15
                                                 1.6782      16
    7   K    ,Na             3.768       14
                                                 3.3095      13
                                                 3.0476      15
                                                 3.2521      16
                                                 2.6103      17
                                                 3.6764      17
                                                 3.3095      13
                                                 3.0476      15
                                                 3.2521      16
                                                 3.6764      17
                                                 2.6103      17
                                                 3.0476      15
                                                 3.2521      16
                                                 3.0476      15
                                                 3.2521      16
    8   K    ,Na             3.768       14
                                                 3.6577      13
                                                 3.1465      15
                                                 3.5379      16
                                                 2.6427      17
                                                 3.7308      12
                                                 2.9716      13
                                                 2.9965      15
                                                 2.9898      16
                                                 3.3312      17
                                                 2.6358      17
                                                 3.1465      15
                                                 3.5379      16
                                                 2.9965      15
                                                 2.9898      16
    9   K    ,K              3.768       14
                                                 3.3317      13
                                                 2.7427      15
                                                 2.9986      16
                                                 2.6385      17
                                                 3.6965      17
                                                 3.3317      13
                                                 3.3689      15
                                                 3.5293      16
                                                 3.6965      17
                                                 2.6385      17
                                                 3.3689      15
                                                 3.5293      16
                                                 2.7427      15
                                                 2.9986      16
   10    O                   3.804       15
                                                 3.1661      11
                                                 3.0854      11
                                                 3.0869      12
                                                 3.2351      12
                                                 3.1546      13
                                                 3.2568      13
                                                 2.7757      15
                                                 2.7538      16
                                                 2.7771      17
                                                 2.6242      12
                                                 3.1791      13
                                                 3.3434      10
                                                 2.6539      10
                                                 2.7962      11
                                                 2.9394      14
   11    O                   3.804       13
                                                 3.0854      10
                                                 3.1661      10
                                                 3.3013      12
                                                 3.3059      13
                                                 2.7423      14
                                                 2.7099      15
                                                 2.7309      16
                                                 2.7962      10
                                                 2.9632      11
                                                 2.916       14
                                                 2.8081      14
                                                 3.161       14
                                                 3.4939      15
   12   OH   ,F              3.852       15
                                                 3.2351      10
                                                 3.0869      10
                                                 3.3013      11
                                                 0.7608      13
                                                 3.5759      16
                                                 3.5647      17
                                                 3.6322      17
                                                 2.6242      10
                                                 2.255       12
                                                 2.8546      13
                                                 3.2351      10
                                                 3.0869      10
                                                 3.3013      11
                                                 3.5759      16
                                                 2.6242      10
   13   Cl   ,Cl             4.344       17
                                                 3.2568      10
                                                 3.1546      10
                                                 3.3059      11
                                                 0.7608      12
                                                 3.4089      15
                                                 3.1023      16
                                                 3.0803      17
                                                 3.2025      17
                                                 3.1791      10
                                                 2.8546      12
                                                 3.5172      13
                                                 3.2568      10
                                                 3.1546      10
                                                 3.3059      11
                                                 3.4089      15
                                                 3.1023      16
                                                 3.1791      10
   14    O                   3.804       13
                                                 2.7423      11
                                                 2.6844      15
                                                 2.547       16
                                                 2.927       14
                                                 3.4441      15
                                                 2.916       11
                                                 2.9394      10
                                                 2.8081      11
                                                 3.161       11
                                                 3.5989      14
                                                 3.4469      14
                                                 3.145       15
                                                 3.4577      16
   15    O                   3.804       12
                                                 2.7757      10
                                                 2.7099      11
                                                 3.4089      13
                                                 2.6844      14
                                                 2.6272      16
                                                 2.7452      16
                                                 2.7243      17
                                                 3.4441      14
                                                 3.5191      15
                                                 3.1266      16
                                                 3.4939      11
                                                 3.145       14
   16    O                   3.804       11
                                                 2.7538      10
                                                 2.7309      11
                                                 3.5759      12
                                                 3.1023      13
                                                 2.547       14
                                                 2.7452      15
                                                 2.6272      15
                                                 2.7162      17
                                                 3.1266      15
                                                 3.523       16
                                                 3.4577      14
   17    O                   3.804       11
                                                 2.7771      10
                                                 3.6322      12
                                                 3.5647      12
                                                 3.2025      13
                                                 3.0803      13
                                                 2.7243      15
                                                 2.7162      16
                                                 3.4679      17
                                                 2.7771      10
                                                 2.7243      15
                                                 2.7162      16

  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   0   2   0  5.607  11.214   0.055  206.55    2       24.0       26.7
    2   1   1   0  6.027  12.054   0.059  178.46    4      121.3     1180.7
    3   0   0   1  9.965  19.931   0.097   63.87    2       17.2        4.3
    4   1   3   0  9.993  19.987   0.097   63.5     4        0.4        0.0
    5   1   1  -1 10.41   20.819   0.101   58.35    4       40.9       44.0
    6   2   0   0 10.712  21.424   0.104   54.99    2       83.7       86.6
    7   0   4   0 11.268  22.537   0.109   49.49    2       67.0       50.0
    8   0   2   1 11.463  22.925   0.111   47.75    4       13.6        4.0
    9   2   2   0 12.122  24.243   0.117   42.48    4       27.8       14.8
   10   2   0  -1 12.635  25.27    0.122   38.94    2        6.4        0.4
   11   1   1   1 12.828  25.656   0.124   37.71    4       19.9        6.7
   12   1   3  -1 13.147  26.295   0.127   35.8     4       22.0        7.8
   13   2   2  -1 13.861  27.722   0.134   32.01    4        3.1        0.1
   14   0   4   1 15.13   30.261   0.146   26.55    4       62.2       46.2
   15   1   5   0 15.149  30.299   0.146   26.48    4       12.4        1.8
   16   1   3   1 15.16   30.319   0.146   26.44    4      137.3      224.3
   17   2   4   0 15.646  31.291   0.151   24.7     4       99.6      110.2
   18   3   1   0 16.443  32.885   0.158   22.19    4      185.3      342.6
   19   2   0   1 16.551  33.101   0.159   21.88    2       12.8        0.8
   20   3   1  -1 16.96   33.92    0.163   20.75    4       27.9        7.3
   21   0   6   0 17.044  34.088   0.164   20.53    2       71.3       23.5
   22   2   4  -1 17.056  34.112   0.164   20.49    4       28.4        7.4
   23   1   5  -1 17.45   34.899   0.168   19.5     4        1.5        0.0
   24   2   2   1 17.527  35.054   0.168   19.31    4      156.9      213.8
   25   3   3   0 18.36   36.719   0.176   17.44    4      139.3      152.2
   26   3   3  -1 18.831  37.662   0.18    16.5     4      128.1      121.7
   27   1   5   1 19.054  38.107   0.182   16.07    4      328.2      779.0
   28   1   1  -2 19.748  39.496   0.189   14.85    4       37.5        9.4
   29   0   6   1 19.9    39.8     0.19    14.6     4      225.8      334.7
   30   2   4   1 20.209  40.417   0.193   14.11    4       74.4       35.1
   31   0   0   2 20.249  40.499   0.193   14.04    2        1.2        0.0
   32   2   6   0 20.308  40.617   0.194   13.95    4       13.5        1.1
   33   2   0  -2 20.359  40.719   0.194   13.87    2      380.8      452.4
   34   1   7   0 20.754  41.508   0.198   13.29    4        2.9        0.1
   35   0   2   2 21.078  42.155   0.201   12.84    4       19.8        2.3
   36   2   2  -2 21.184  42.368   0.202   12.7     4        1.6        0.0
   37   1   3  -2 21.41   42.82    0.204   12.4     4       21.7        2.6
   38   2   6  -1 21.452  42.905   0.204   12.34    4       28.5        4.5
   39   4   0  -1 21.543  43.087   0.205   12.23    2       21.0        1.2
   40   3   1   1 21.56   43.121   0.205   12.2     4       16.3        1.4
   41   3   5   0 21.757  43.514   0.207   11.96    4       95.9       49.5
   42   4   0   0 21.823  43.646   0.208   11.88    2      125.3       41.9
   43   3   5  -1 22.167  44.335   0.211   11.47    4      223.7      258.1
   44   4   2  -1 22.333  44.665   0.212   11.27    4      139.9       99.2
   45   1   7  -1 22.56   45.121   0.214   11.02    4      103.9       53.5
   46   1   1   2 22.582  45.165   0.215   11.0     4       52.6       13.7
   47   4   2   0 22.605  45.209   0.215   10.97    4       16.1        1.3
   48   3   1  -2 22.783  45.567   0.216   10.78    4      173.8      146.4
   49   0   8   0 23.005  46.009   0.218   10.54    2       43.4        4.5
   50   3   3   1 23.116  46.233   0.219   10.43    4       55.2       14.3
   51   0   4   2 23.419  46.839   0.222   10.13    4        0.3        0.0
   52   2   4  -2 23.517  47.035   0.223   10.03    4       97.7       43.1
   53   1   7   1 23.877  47.754   0.226    9.69    4       63.5       17.6
   54   1   3   2 24.086  48.173   0.228    9.5     4        8.4        0.3
   55   2   6   1 24.125  48.25    0.228    9.47    4      236.0      237.2
   56   3   3  -2 24.278  48.555   0.23     9.33    4       73.2       22.5
   57   1   5  -2 24.46   48.919   0.231    9.18    4       67.9       19.1
   58   4   4  -1 24.58   49.16    0.233    9.07    4       66.2       17.9
   59   4   4   0 24.833  49.666   0.235    8.86    4        0.7        0.0
   60   0   8   1 25.303  50.606   0.239    8.49    4       24.7        2.3
   61   2   8   0 25.643  51.285   0.242    8.24    4       16.2        1.0
   62   2   0   2 25.669  51.338   0.242    8.22    2      264.5      129.4
   63   4   0  -2 25.943  51.886   0.245    8.02    2      224.8       91.2
   64   3   5   1 26.011  52.022   0.245    7.98    4      179.6      115.8
   65   3   7   0 26.181  52.362   0.247    7.86    4       69.8       17.2
   66   2   2   2 26.363  52.726   0.248    7.74    4        5.4        0.1
   67   3   7  -1 26.539  53.079   0.25     7.62    4       42.6        6.2
   68   2   8  -1 26.606  53.213   0.25     7.58    4        5.0        0.1
   69   4   2  -2 26.632  53.263   0.251    7.56    4       24.3        2.0
   70   4   0   1 26.668  53.336   0.251    7.54    2       36.8        2.3
   71   1   9   0 26.703  53.407   0.251    7.51    4       34.2        3.9
   72   1   5   2 26.903  53.806   0.253    7.39    4        4.4        0.1
   73   0   6   2 26.971  53.943   0.254    7.34    4       26.5        2.3
   74   5   1  -1 27.037  54.075   0.254    7.3     4       46.3        7.0
   75   2   6  -2 27.06   54.119   0.254    7.29    4       31.8        3.3
   76   3   5  -2 27.08   54.159   0.254    7.28    4       48.2        7.6
   77   4   2   1 27.344  54.688   0.257    7.12    4       59.2       11.2
   78   5   1   0 27.855  55.711   0.261    6.83    4       38.1        4.5
   79   4   6  -1 28.024  56.048   0.263    6.73    4      135.9       55.9
   80   1   9  -1 28.218  56.435   0.264    6.63    4       60.0       10.7
   81   4   6   0 28.255  56.51    0.265    6.61    4        7.9        0.2
   82   5   3  -1 28.366  56.733   0.266    6.55    4       19.9        1.2
   83   2   4   2 28.373  56.746   0.266    6.55    4       48.1        6.8
   84   1   7  -2 28.57   57.141   0.267    6.44    4       73.1       15.5
   85   4   4  -2 28.629  57.257   0.268    6.41    4       61.2       10.8
   86   2   8   1 28.921  57.843   0.27     6.27    4        1.1        0.0
   87   5   3   0 29.159  58.319   0.272    6.15    4       67.4       12.6
   88   0  10   0 29.243  58.485   0.273    6.11    2      189.3       49.3
   89   4   4   1 29.309  58.617   0.274    6.08    4       33.9        3.1
   90   1   9   1 29.348  58.696   0.274    6.07    4       61.9       10.5
   91   3   7   1 29.973  59.946   0.279    5.79    4       11.9        0.4
   92   3   1   2 29.991  59.982   0.279    5.78    4       21.7        1.2
   93   2   0  -3 30.272  60.545   0.282    5.66    2       12.4        0.2
   94   5   1  -2 30.32   60.64    0.282    5.64    4       93.0       21.9
   95   1   1  -3 30.368  60.735   0.283    5.62    4       13.0        0.4
   96   1   7   2 30.789  61.577   0.286    5.45    4       23.7        1.4
   97   2   2  -3 30.897  61.793   0.287    5.41    4        5.1        0.1
   98   5   5  -1 30.912  61.824   0.287    5.4     4      103.7       26.1
   99   3   7  -2 30.951  61.902   0.287    5.39    4       49.4        5.9
  100   0  10   1 31.215  62.431   0.29     5.29    4       55.6        7.4
  101   3   3   2 31.239  62.478   0.29     5.28    4       27.5        1.8
  102   0   0   3 31.276  62.552   0.29     5.26    2       22.1        0.6
  103   3   9   0 31.373  62.746   0.291    5.23    4       37.1        3.2
  104   0   8   2 31.469  62.938   0.292    5.19    4       32.1        2.4
  105   2  10   0 31.512  63.024   0.292    5.18    4       94.0       20.6
  106   2   6   2 31.535  63.07    0.292    5.17    4       39.3        3.6
  107   2   8  -2 31.549  63.098   0.292    5.16    4       73.6       12.6
  108   5   3  -2 31.56   63.121   0.293    5.16    4       32.1        2.4
  109   1   3  -3 31.607  63.214   0.293    5.14    4       89.7       18.6
  110   3   1  -3 31.61   63.221   0.293    5.14    4       19.9        0.9
  111   5   5   0 31.666  63.332   0.293    5.12    4       13.5        0.4
  112   3   9  -1 31.693  63.385   0.294    5.11    4       73.2       12.3
  113   4   6  -2 31.775  63.55    0.294    5.08    4       24.0        1.3
  114   0   2   3 31.889  63.778   0.295    5.04    4      110.3       27.6
  115   2  10  -1 32.361  64.721   0.299    4.89    4       36.7        3.0
  116   4   6   1 32.415  64.831   0.3      4.87    4      236.4      122.4
  117   4   8  -1 32.429  64.858   0.3      4.86    4       25.0        1.4
  118   5   1   1 32.576  65.151   0.301    4.82    4       29.4        1.9
  119   4   8   0 32.641  65.282   0.302    4.8     4       96.5       20.1
  120   6   0  -1 32.642  65.283   0.302    4.8     2        0.1        0.0
  121   2   4  -3 32.728  65.457   0.302    4.77    4       58.8        7.4
  122   3   3  -3 32.823  65.646   0.303    4.74    4        4.2        0.0
  123   1  11   0 33.048  66.095   0.305    4.67    4      193.8       78.9
  124   6   2  -1 33.241  66.481   0.306    4.61    4       27.0        1.5
  125   1   9  -2 33.528  67.055   0.309    4.53    4        4.8        0.0
  126   1   1   3 33.556  67.111   0.309    4.52    4       10.8        0.2
  127   3   5   2 33.656  67.311   0.31     4.49    4        4.0        0.0
  128   0   4   3 33.691  67.383   0.31     4.48    4       46.6        4.4
  129   4   0  -3 33.698  67.396   0.31     4.48    2        1.5        0.0
  130   5   3   1 33.77   67.54    0.311    4.46    4       30.5        1.9
  131   6   0   0 33.891  67.782   0.312    4.43    2      200.9       40.2
  132   5   5  -2 33.965  67.93    0.312    4.41    4        4.5        0.0
  133   1   5  -3 34.01   68.019   0.313    4.4     4      250.0      123.6
  134   4   2  -3 34.288  68.576   0.315    4.32    4       16.4        0.5
  135   1  11  -1 34.389  68.779   0.316    4.3     4       16.8        0.5
  136   2  10   1 34.437  68.874   0.316    4.28    4       52.8        5.4
  137   6   2   0 34.479  68.959   0.316    4.27    4        7.9        0.1
  138   5   7  -1 34.523  69.045   0.317    4.26    4       37.9        2.8
  139   4   0   2 34.731  69.462   0.318    4.21    2      208.8       41.3
  140   1   3   3 34.733  69.466   0.318    4.21    4       35.6        2.4
  141   3   9   1 34.815  69.63    0.319    4.19    4       24.6        1.1
  142   6   4  -1 35.008  70.015   0.321    4.14    4       23.3        1.0
  143   6   0  -2 35.112  70.224   0.322    4.12    2      252.7       59.1
  144   3   5  -3 35.183  70.366   0.322    4.1     4       84.7       13.2
  145   5   7   0 35.236  70.471   0.323    4.09    4       54.0        5.4
  146   4   2   2 35.313  70.626   0.323    4.07    4       29.2        1.6
  147   1  11   1 35.406  70.812   0.324    4.05    4        2.7        0.0
  148   1   9   2 35.57   71.141   0.325    4.01    4       84.3       12.8
  149   2   6  -3 35.671  71.342   0.326    3.99    4      256.9      118.4
  150   6   2  -2 35.691  71.382   0.326    3.99    4       12.6        0.3
  151   2   8   2 35.691  71.382   0.326    3.99    4        2.0        0.0
  152   3   9  -2 35.721  71.443   0.326    3.98    4        6.1        0.1
  153   0  12   0 35.889  71.777   0.328    3.94    2      213.5       40.4
  154   4   8  -2 35.917  71.834   0.328    3.94    4       78.5       10.9
  155   4   4  -3 36.031  72.062   0.329    3.91    4       21.6        0.8
  156   5   5   1 36.101  72.201   0.329    3.9     4      129.4       29.4
  157   6   4   0 36.218  72.436   0.33     3.87    4       35.0        2.1
  158   2   0   3 36.513  73.026   0.333    3.81    2       17.8        0.3
  159   4   8   1 36.521  73.043   0.333    3.81    4       57.9        5.7
  160   0   6   3 36.597  73.195   0.333    3.8     4       92.4       14.6
  161   0  10   2 36.776  73.553   0.335    3.76    4       45.7        3.5
  162   2  10  -2 36.851  73.702   0.335    3.75    4      153.5       39.7
  163   4   4   2 37.035  74.07    0.337    3.71    4       87.6       12.8
  164   1   5   3 37.037  74.074   0.337    3.71    4       76.6        9.8
  165   5   1  -3 37.047  74.094   0.337    3.71    4       30.0        1.5
  166   2   2   3 37.083  74.166   0.337    3.7     4       61.4        6.3
  167   3   7   2 37.133  74.265   0.337    3.7     4       66.2        7.3
  168   3  11   0 37.256  74.513   0.338    3.67    4      114.3       21.6
  169   6   4  -2 37.406  74.812   0.34     3.65    4       98.8       16.0
  170   5   7  -2 37.429  74.859   0.34     3.64    4       23.4        0.9
  171   1   7  -3 37.472  74.945   0.34     3.63    4       70.5        8.1
  172   3  11  -1 37.552  75.103   0.341    3.62    4       29.9        1.5
  173   4  10  -1 37.671  75.343   0.342    3.6     4       48.0        3.7
  174   0  12   1 37.678  75.356   0.342    3.6     4       69.0        7.7
  175   4  10   0 37.87   75.739   0.343    3.57    4      113.2       20.5
  176   6   6  -1 37.87   75.74    0.343    3.57    4      265.9      113.4
  177   2  12   0 37.95   75.9     0.344    3.55    4       20.3        0.7
  178   5   3  -3 38.178  76.356   0.346    3.51    4       85.3       11.5
  179   3   7  -3 38.603  77.205   0.349    3.45    4       37.8        2.2
  180   6   0   1 38.694  77.389   0.349    3.43    2        1.0        0.0
  181   2  12  -1 38.733  77.466   0.35     3.43    4       58.0        5.2
  182   2   4   3 38.775  77.551   0.35     3.42    4       20.1        0.6
  183   4   6  -3 38.865  77.729   0.351    3.41    4       61.6        5.8
  184   6   6   0 39.047  78.094   0.352    3.38    4       85.2       11.0
  185   7   1  -1 39.072  78.144   0.352    3.38    4       36.3        2.0
  186   5   9  -1 39.088  78.176   0.352    3.38    4       24.9        0.9
  187   6   2   1 39.254  78.507   0.354    3.35    4       52.8        4.2
  188   1  11  -2 39.263  78.525   0.354    3.35    4       30.5        1.4
  189   5   7   1 39.491  78.981   0.355    3.32    4       18.1        0.5
  190   2   8  -3 39.632  79.264   0.357    3.3     4       28.3        1.2
  191   5   9   0 39.77   79.54    0.358    3.28    4       17.8        0.5
  192   4   6   2 39.844  79.688   0.358    3.27    4       48.2        3.4
  193   1  13   0 39.928  79.856   0.359    3.26    4       15.1        0.3
  194   7   3  -1 40.186  80.371   0.361    3.23    4       51.5        3.9
  195   6   6  -2 40.207  80.414   0.361    3.23    4        1.9        0.0
  196   1   7   3 40.401  80.802   0.362    3.21    4       27.9        1.1
  197   5   5  -3 40.41   80.821   0.362    3.2     4      138.0       27.5
  198   5   1   2 40.475  80.95    0.363    3.2     4      163.5       38.5
  199   3  11   1 40.479  80.957   0.363    3.2     4        0.5        0.0
  200   0   8   3 40.528  81.055   0.363    3.19    4        0.3        0.0
  201   3   1   3 40.662  81.324   0.364    3.18    4        5.1        0.0
  202   2  12   1 40.674  81.349   0.364    3.17    4       52.2        3.9
  203   7   1   0 40.721  81.443   0.365    3.17    4      101.4       14.7
  204   2  10   2 40.761  81.522   0.365    3.16    4       97.4       13.5
  205   7   1  -2 40.909  81.818   0.366    3.15    4        2.0        0.0
  206   6   4   1 40.919  81.838   0.366    3.15    4       34.0        1.6
  207   4  10  -2 40.977  81.955   0.367    3.14    4       83.6        9.9
  208   6   0  -3 41.011  82.023   0.367    3.14    2        1.3        0.0
  209   1  13  -1 41.182  82.364   0.368    3.12    4       46.1        3.0
  210   1  11   2 41.198  82.396   0.368    3.12    4      167.3       39.3
  211   3  11  -2 41.342  82.684   0.369    3.1     4      145.5       29.5
  212   2   6   3 41.55   83.101   0.371    3.08    4      142.4       28.1
  213   4  10   1 41.559  83.117   0.371    3.08    4       51.6        3.7
  214   6   2  -3 41.563  83.126   0.371    3.08    4       52.2        3.8
  215   5   3   2 41.58   83.16    0.371    3.08    4      103.7       14.9
  216   3   9   2 41.599  83.197   0.371    3.08    4       24.9        0.9
  217   6   8  -1 41.765  83.53    0.372    3.06    4       63.7        5.6
  218   3   3   3 41.766  83.531   0.372    3.06    4        7.2        0.1
  219   7   3   0 41.825  83.649   0.373    3.05    4       41.2        2.3
  220   5   9  -2 41.886  83.773   0.373    3.05    4       59.7        4.9
  221   1   9  -3 41.928  83.857   0.374    3.04    4       60.5        5.0
  222   2   0  -4 41.964  83.928   0.374    3.04    2       17.0        0.2
  223   7   3  -2 42.011  84.023   0.374    3.04    4       18.3        0.5
  224   1  13   1 42.143  84.285   0.375    3.03    4       35.6        1.7
  225   7   5  -1 42.392  84.784   0.377    3.0     4      163.4       36.1
  226   2   2  -4 42.514  85.027   0.378    2.99    4       14.3        0.3
  227   1   1  -4 42.527  85.053   0.378    2.99    4      146.6       28.9
  228   3   1  -4 42.67   85.34    0.379    2.98    4       41.1        2.3
  229   4   8  -3 42.737  85.475   0.379    2.97    4       14.0        0.3
  230   0  12   2 42.903  85.806   0.381    2.96    4       90.3       10.9
  231   6   8   0 42.916  85.833   0.381    2.96    4       68.8        6.3
  232   2  12  -2 42.975  85.949   0.381    2.96    4      197.5       51.8
  233   3   9  -3 43.03   86.059   0.381    2.95    4       22.5        0.7
  234   0  14   0 43.15   86.3     0.382    2.94    2       27.7        0.5
  235   6   4  -3 43.211  86.422   0.383    2.94    4       44.7        2.6
  236   1   3  -4 43.623  87.246   0.386    2.91    4       86.4        9.8
  237   6   6   1 43.667  87.334   0.386    2.91    4       22.5        0.7
  238   4   8   2 43.7    87.4     0.386    2.9     4       17.7        0.4
  239   5   7  -3 43.711  87.422   0.386    2.9     4       18.5        0.4
  240   3   3  -4 43.766  87.533   0.387    2.9     4       32.2        1.4
  241   4  12  -1 43.767  87.534   0.387    2.9     4       58.7        4.5
  242   5   5   2 43.775  87.55    0.387    2.9     4       54.9        3.9
  243   0   0   4 43.806  87.612   0.387    2.9     2      171.3       19.1
  244   5   9   1 43.9    87.799   0.388    2.89    4       11.2        0.2
  245   3  13   0 43.913  87.826   0.388    2.89    4       19.6        0.5
  246   4  12   0 43.959  87.918   0.388    2.89    4       66.2        5.7
  247   3   5   3 43.96   87.92    0.388    2.89    4       68.4        6.1
  248   7   5   0 44.019  88.037   0.388    2.88    4        6.1        0.0
  249   6   8  -2 44.058  88.115   0.389    2.88    4       55.4        4.0
  250   4   0  -4 44.092  88.184   0.389    2.88    2      205.3       27.3
  251   2   4  -4 44.157  88.315   0.389    2.87    4       12.5        0.2
  252   3  13  -1 44.198  88.397   0.39     2.87    4        4.3        0.0
  253   7   5  -2 44.204  88.409   0.39     2.87    4       45.8        2.7
  254   0   2   4 44.353  88.706   0.391    2.86    4        6.0        0.0
  255   2  10  -3 44.586  89.171   0.392    2.85    4        4.4        0.0
  256   5  11  -1 44.599  89.198   0.392    2.85    4       23.5        0.7
  257   4   2  -4 44.639  89.278   0.393    2.85    4        6.3        0.1
  258   1   9   3 44.796  89.592   0.394    2.84    4        0.7        0.0
  259   0  14   1 44.867  89.735   0.394    2.84    4       30.0        1.1


  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   0   2   0   5.607  11.214  9.155         26.7      2.3      2.3     5.6
    2   1   1   0   6.027  12.054  8.51925     1180.7    100.0    100.0     5.6
    3   1   1  -1  10.41   20.819  4.95046       44.0      3.7      3.7     5.6
    4   2   0   0  10.712  21.424  4.81224       86.6      7.3      7.3     5.6
    5   0   4   0  11.268  22.537  4.5775        50.0      4.2      4.2     5.6
    6   2   2   0  12.122  24.243  4.25963       14.8      1.2      1.2     5.6
    7   0   4   1  15.13   30.261  3.42682       48.0      4.1      4.0     5.6
    8   1   3   1  15.16   30.319  3.42036      224.3     19.0     18.8     5.6
    9   2   4   0  15.646  31.291  3.31666      110.2      9.3      9.2     5.6
   10   3   1   0  16.443  32.885  3.16002      342.6     29.0     28.6     5.6
   11   0   6   0  17.044  34.088  3.05167       30.9      2.6      2.6     5.7
   12   2   2   1  17.527  35.054  2.97014      213.8     18.1     17.8     5.7
   13   3   3   0  18.36   36.719  2.83975      152.2     12.9     12.7     5.7
   14   3   3  -1  18.831  37.662  2.77116      121.7     10.3     10.1     5.7
   15   1   5   1  19.054  38.107  2.73995      779.0     66.0     64.7     5.7
   16   0   6   1  19.9    39.8    2.62783      334.7     28.3     27.7     5.7
   17   2   4   1  20.209  40.417  2.58933       35.1      3.0      2.9     5.7
   18   2   0  -2  20.359  40.719  2.57098      452.4     38.3     37.5     5.7
   19   3   5   0  21.757  43.514  2.41311       49.5      4.2      4.1     5.7
   20   4   0   0  21.823  43.646  2.40612       41.9      3.6      3.5     5.7
   21   3   5  -1  22.167  44.335  2.37059      258.1     21.9     21.3     5.7
   22   4   2  -1  22.333  44.665  2.35396       99.2      8.4      8.2     5.7
   23   1   7  -1  22.56   45.121  2.3314        67.2      5.7      5.5     5.7
   24   3   1  -2  22.783  45.567  2.30979      146.4     12.4     12.1     5.7
   25   3   3   1  23.116  46.233  2.2783        14.3      1.2      1.2     5.7
   26   2   4  -2  23.517  47.035  2.24161       43.1      3.6      3.5     5.7
   27   1   7   1  23.877  47.754  2.20976       17.6      1.5      1.4     5.7
   28   2   6   1  24.125  48.25   2.18841      237.2     20.1     19.5     5.7
   29   3   3  -2  24.278  48.555  2.17546       22.5      1.9      1.8     5.7
   30   1   5  -2  24.46   48.919  2.16027       19.1      1.6      1.6     5.7
   31   4   4  -1  24.58   49.16   2.15035       17.9      1.5      1.5     5.7
   32   2   0   2  25.669  51.338  2.0649       129.4     11.0     10.6     5.8
   33   4   0  -2  25.943  51.886  2.0446        91.2      7.7      7.5     5.8
   34   3   5   1  26.011  52.022  2.03963      115.8      9.8      9.5     5.8
   35   3   7   0  26.181  52.362  2.02728       17.2      1.5      1.4     5.8
   36   4   6  -1  28.024  56.048  1.90375       55.9      4.7      4.6     5.8
   37   1   7  -2  28.57   57.141  1.87032       15.5      1.3      1.3     5.8
   38   5   3   0  29.159  58.319  1.83576       12.6      1.1      1.0     5.8
   39   0  10   0  29.243  58.485  1.831         49.3      4.2      4.0     5.8
   40   5   1  -2  30.32   60.64   1.77181       21.9      1.9      1.8     5.8
   41   5   5  -1  30.912  61.824  1.74114       26.1      2.2      2.1     5.8
   42   2  10   0  31.512  63.024  1.71131       24.2      2.0      1.9     5.9
   43   2   8  -2  31.549  63.098  1.7095        15.0      1.3      1.2     5.9
   44   1   3  -3  31.607  63.214  1.7067        19.5      1.7      1.6     5.9
   45   3   9  -1  31.693  63.385  1.70256       12.3      1.0      1.0     5.9
   46   0   2   3  31.889  63.778  1.69317       27.6      2.3      2.2     5.9
   47   4   6   1  32.415  64.831  1.6686       123.8     10.5      9.9     5.9
   48   4   8   0  32.641  65.282  1.65833       20.1      1.7      1.6     5.9
   49   1  11   0  33.048  66.095  1.6402        78.9      6.7      6.3     5.9
   50   6   0   0  33.891  67.782  1.60408       40.2      3.4      3.2     5.9
   51   1   5  -3  34.01   68.019  1.59916      123.6     10.5      9.9     5.9
   52   4   0   2  34.731  69.462  1.56999       43.7      3.7      3.5     5.9
   53   6   0  -2  35.112  70.224  1.55511       59.1      5.0      4.7     5.9
   54   3   5  -3  35.183  70.366  1.55236       13.2      1.1      1.1     5.9
   55   1   9   2  35.57   71.141  1.53766       12.8      1.1      1.0     5.9
   56   2   6  -3  35.671  71.342  1.5339       118.7     10.1      9.4     5.9
   57   0  12   0  35.889  71.777  1.52583       51.4      4.4      4.1     5.9
   58   5   5   1  36.101  72.201  1.51808       29.4      2.5      2.3     5.9
   59   0   6   3  36.597  73.195  1.5003        14.6      1.2      1.2     6.0
   60   2  10  -2  36.851  73.702  1.49143       39.7      3.4      3.1     6.0
   61   4   4   2  37.035  74.07   1.48507       24.1      2.0      1.9     6.0
   62   3  11   0  37.256  74.513  1.47751       21.6      1.8      1.7     6.0
   63   6   4  -2  37.406  74.812  1.47246       16.9      1.4      1.3     6.0
   64   6   6  -1  37.87   75.74   1.45707      134.0     11.3     10.5     6.0
   65   6   6   0  39.047  78.094  1.41988       13.0      1.1      1.0     6.0
   66   5   5  -3  40.41   80.821  1.37979       28.6      2.4      2.2     6.1
   67   5   1   2  40.475  80.95   1.37796       38.5      3.3      3.0     6.1
   68   7   1   0  40.721  81.443  1.37107       14.7      1.2      1.1     6.1
   69   2  10   2  40.761  81.522  1.36998       13.5      1.1      1.0     6.1
   70   1  11   2  41.198  82.396  1.358         42.3      3.6      3.3     6.1
   71   3  11  -2  41.342  82.684  1.35411       29.5      2.5      2.3     6.1
   72   2   6   3  41.55   83.101  1.34854       50.5      4.3      3.9     6.1
   73   7   5  -1  42.392  84.784  1.32669       36.1      3.1      2.8     6.1
   74   1   1  -4  42.527  85.053  1.32329       28.9      2.5      2.2     6.1
   75   0  12   2  42.903  85.806  1.31391       17.2      1.5      1.3     6.1
   76   2  12  -2  42.975  85.949  1.31215       51.8      4.4      4.0     6.1
   77   0   0   4  43.806  87.612  1.29217       28.9      2.4      2.2     6.2
   78   4   0  -4  44.092  88.184  1.28549       27.3      2.3      2.1     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)