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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UNGEMACHITE

1, g-ungemachite

K(3)Na(8)Fe'''[SO(4)](6)[NO(3)](2).6H(2)O


Hexagonal  R 3(-)  Z = 3

R =0.039          NR =1421

6 .2 .1990

Ref.Str.:

         L.A. Groat, F.C. Hawthorne (1986)

         * Amer. Mineral., 71, 826-829

                   Initial data from BDM-file 

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

             a =  10.898    alpha =   90.0 
             b =  10.898    beta  =   90.0 
             c =  24.989    gamma =  120.0 

    Unit cell volume (cub. angs.) =  2570.24

    Molar volume ( cub.cm/mol.) =   516.05

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

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

   1 0.0     0.0     0.0      0.0    Fe    = 1.00
   2 0.3461  0.1775  0.2781   0.0    S     = 1.00
   3 0.3333  0.6667  0.0951   0.0    N     = 1.00
   4 0.5     0.0     0.0      0.0    K     = 1.00
   5 0.0     0.0     0.1285   0.0    Na    = 1.00
   6 0.644   0.817   0.0907   0.0    Na    = 1.00
   7 0.5046  0.2737  0.283    0.0    O     = 1.00
   8 0.2824  0.1394  0.3312   0.0    O     = 1.00
   9 0.2953  0.26    0.2489   0.0    O     = 1.00
  10 0.3212  0.0515  0.2485   0.0    O     = 1.00
  11 0.12    0.8994  0.17     0.0    O     = 1.00
  12 0.4016  0.799   0.0951   0.0    O     = 1.00
  13 0.774   0.819   0.192    0.0    H     = 1.00
  14 0.772   0.934   0.19     0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.3461     0.1775     0.2781
     3       3     0.3333     0.6667     0.0951
     4       4     0.5        0.0        0.0   
     5       5     0.0        0.0        0.1285
     6       6     0.644      0.817      0.0907
     7       7     0.5046     0.2737     0.283 
     8       8     0.2824     0.1394     0.3312
     9       9     0.2953     0.26       0.2489
    10      10     0.3212     0.0515     0.2485
    11      11     0.12       0.8994     0.17  
    12      12     0.4016     0.799      0.0951
    13      13     0.774      0.819      0.192 
    14      14     0.772      0.934      0.19  
    15       2     0.8225     0.1686     0.2781
    16       2     0.8314     0.6539     0.2781
    17       4     0.0        0.5        0.0   
    18       4     0.5        0.5        0.0   
    19       6     0.183      0.827      0.0907
    20       6     0.173      0.356      0.0907
    21       7     0.7263     0.2309     0.283 
    22       7     0.7691     0.4954     0.283 
    23       8     0.8606     0.143      0.3312
    24       8     0.857      0.7176     0.3312
    25       9     0.74       0.0353     0.2489
    26       9     0.9647     0.7047     0.2489
    27      10     0.9485     0.2697     0.2485
    28      10     0.7303     0.6788     0.2485
    29      11     0.1006     0.2206     0.17  
    30      11     0.7794     0.88       0.17  
    31      12     0.201      0.6026     0.0951
    32      12     0.3974     0.5984     0.0951
    33      13     0.181      0.955      0.192 
    34      13     0.045      0.226      0.192 
    35      14     0.066      0.838      0.19  
    36      14     0.162      0.228      0.19  
    37       1     0.6667     0.3333     0.3333
    38       1     0.3333     0.6667     0.6667
    39       2     0.4892     0.5019     0.6114
    40       2     0.1647     0.3206     0.9448
    41       3     0.0        0.0        0.4284
    42       3     0.6667     0.3333     0.7618
    43       4     0.6667     0.8333     0.3333
    44       4     0.8333     0.1667     0.6667
    45       5     0.6667     0.3333     0.4618
    46       5     0.3333     0.6667     0.7952
    47       6     0.8497     0.1603     0.424 
    48       6     0.5063     0.0227     0.7574
    49       7     0.393      0.5642     0.6164
    50       7     0.1024     0.1621     0.9497
    51       8     0.5273     0.4763     0.6645
    52       8     0.1903     0.3843     0.9979
    53       9     0.4067     0.3686     0.5822
    54       9     0.298      0.3714     0.9156
    55      10     0.6152     0.603      0.5818
    56      10     0.0636     0.3455     0.9152
    57      11     0.7673     0.5539     0.5033
    58      11     0.1127     0.5467     0.8367
    59      12     0.8677     0.9359     0.4284
    60      12     0.7307     0.2651     0.7618
    61      13     0.8477     0.2883     0.5253
    62      13     0.3783     0.8927     0.8587
    63      14     0.7327     0.1713     0.5233
    64      14     0.4953     0.8947     0.8567
    65       2     0.4981     0.9872     0.6114
    66       2     0.6794     0.8442     0.9448
    67       2     0.0128     0.5108     0.6114
    68       2     0.1558     0.8352     0.9448
    69       4     0.1667     0.8333     0.3333
    70       4     0.8333     0.6667     0.6667
    71       4     0.1667     0.3333     0.3333
    72       4     0.3333     0.1666     0.6667
    73       6     0.8397     0.6893     0.424 
    74       6     0.9773     0.4837     0.7574
    75       6     0.3107     0.1503     0.424 
    76       6     0.5163     0.4936     0.7574
    77       7     0.4358     0.8287     0.6164
    78       7     0.8379     0.9404     0.9497
    79       7     0.1713     0.607      0.6164
    80       7     0.0596     0.8975     0.9497
    81       8     0.5237     0.0509     0.6645
    82       8     0.6157     0.8061     0.9979
    83       8     0.9491     0.4727     0.6645
    84       8     0.1939     0.8097     0.9979
    85       9     0.6314     0.038      0.5822
    86       9     0.6286     0.9267     0.9156
    87       9     0.962      0.5933     0.5822
    88       9     0.0733     0.702      0.9156
    89      10     0.397      0.0121     0.5818
    90      10     0.6545     0.7182     0.9152
    91      10     0.9879     0.3848     0.5818
    92      10     0.2818     0.9363     0.9152
    93      11     0.4461     0.2133     0.5033
    94      11     0.4533     0.5661     0.8367
    95      11     0.7867     0.2327     0.5033
    96      11     0.4339     0.8872     0.8367
    97      12     0.0641     0.9317     0.4284
    98      12     0.7349     0.4657     0.7618
    99      12     0.0683     0.1323     0.4284
   100      12     0.5343     0.2692     0.7618
   101      13     0.7117     0.5593     0.5253
   102      13     0.1073     0.4857     0.8587
   103      13     0.4407     0.1523     0.5253
   104      13     0.5143     0.6216     0.8587
   105      14     0.8287     0.5613     0.5233
   106      14     0.1053     0.6007     0.8567
   107      14     0.4387     0.2673     0.5233
   108      14     0.3993     0.5047     0.8567
   109       2     0.6539     0.8225     0.7219
   110       3     0.6667     0.3333     0.9049
   111       5     0.0        0.0        0.8715
   112       6     0.356      0.183      0.9093
   113       7     0.4954     0.7263     0.717 
   114       8     0.7176     0.8606     0.6688
   115       9     0.7047     0.74       0.7511
   116      10     0.6788     0.9485     0.7515
   117      11     0.88       0.1006     0.83  
   118      12     0.5984     0.201      0.9049
   119      13     0.226      0.181      0.808 
   120      14     0.228      0.066      0.81  
   121       2     0.1775     0.8314     0.7219
   122       2     0.1686     0.3461     0.7219
   123       6     0.817      0.173      0.9093
   124       6     0.827      0.644      0.9093
   125       7     0.2737     0.7691     0.717 
   126       7     0.2309     0.5046     0.717 
   127       8     0.1394     0.857      0.6688
   128       8     0.143      0.2824     0.6688
   129       9     0.26       0.9647     0.7511
   130       9     0.0353     0.2953     0.7511
   131      10     0.0515     0.7303     0.7515
   132      10     0.2697     0.3212     0.7515
   133      11     0.8994     0.7794     0.83  
   134      11     0.2206     0.12       0.83  
   135      12     0.799      0.3974     0.9049
   136      12     0.6026     0.4016     0.9049
   137      13     0.819      0.045      0.808 
   138      13     0.955      0.774      0.808 
   139      14     0.934      0.162      0.81  
   140      14     0.838      0.772      0.81  
   141       2     0.5108     0.4981     0.3886
   142       2     0.8353     0.6794     0.0552
   143       3     0.0        0.0        0.5716
   144       3     0.3333     0.6667     0.2382
   145       5     0.3333     0.6667     0.5382
   146       5     0.6667     0.3333     0.2048
   147       6     0.1503     0.8397     0.576 
   148       6     0.4937     0.9773     0.2426
   149       7     0.607      0.4358     0.3836
   150       7     0.8976     0.8379     0.0503
   151       8     0.4727     0.5237     0.3355
   152       8     0.8097     0.6157     0.0021
   153       9     0.5933     0.6314     0.4178
   154       9     0.702      0.6286     0.0844
   155      10     0.3848     0.397      0.4182
   156      10     0.9364     0.6545     0.0848
   157      11     0.2327     0.4461     0.4967
   158      11     0.8873     0.4533     0.1633
   159      12     0.1323     0.0641     0.5716
   160      12     0.2693     0.7349     0.2382
   161      13     0.1523     0.7117     0.4747
   162      13     0.6217     0.1073     0.1413
   163      14     0.2673     0.8287     0.4767
   164      14     0.5047     0.1053     0.1433
   165       2     0.5019     0.0128     0.3886
   166       2     0.3206     0.1558     0.0552
   167       2     0.9872     0.4892     0.3886
   168       2     0.8442     0.1648     0.0552
   169       6     0.1603     0.3107     0.576 
   170       6     0.0227     0.5163     0.2426
   171       6     0.6893     0.8497     0.576 
   172       6     0.4837     0.5064     0.2426
   173       7     0.5642     0.1713     0.3836
   174       7     0.1621     0.0596     0.0503
   175       7     0.8287     0.393      0.3836
   176       7     0.9404     0.1025     0.0503
   177       8     0.4763     0.9491     0.3355
   178       8     0.3843     0.1939     0.0021
   179       8     0.0509     0.5273     0.3355
   180       8     0.8061     0.1903     0.0021
   181       9     0.3686     0.962      0.4178
   182       9     0.3714     0.0733     0.0844
   183       9     0.038      0.4067     0.4178
   184       9     0.9267     0.298      0.0844
   185      10     0.603      0.9879     0.4182
   186      10     0.3455     0.2818     0.0848
   187      10     0.0121     0.6152     0.4182
   188      10     0.7182     0.0637     0.0848
   189      11     0.5539     0.7867     0.4967
   190      11     0.5467     0.4339     0.1633
   191      11     0.2133     0.7673     0.4967
   192      11     0.5661     0.1128     0.1633
   193      12     0.9359     0.0683     0.5716
   194      12     0.2651     0.5343     0.2382
   195      12     0.9317     0.8677     0.5716
   196      12     0.4657     0.7308     0.2382
   197      13     0.2883     0.4407     0.4747
   198      13     0.8927     0.5143     0.1413
   199      13     0.5593     0.8477     0.4747
   200      13     0.4857     0.3784     0.1413
   201      14     0.1713     0.4387     0.4767
   202      14     0.8947     0.3993     0.1433
   203      14     0.5613     0.7327     0.4767
   204      14     0.6007     0.4953     0.1433


X-ray density (g/cm cub.)   =      2.26

MU (1/cm) =     142.339    Mass attenuation coefficient (cm**2/g) =     63.031

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

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

    1    Fe                  2.592        6
                                                 1.9934       7
                                                 1.9936       7
                                                 1.9935       7
                                                 1.9934       7
                                                 1.9936       7
                                                 1.9935       7
    2    S                   1.98         4
                                                 1.5123       7
                                                 1.4581       8
                                                 1.4646       9
                                                 1.4607      10
    3    N                   1.992        3
                                                 1.2491      12
                                                 1.2491      12
                                                 1.2493      12
    4    K                   3.228       10
                                                 3.0408      12
                                                 2.954        8
                                                 2.9177       8
                                                 2.8594       9
                                                 2.9967      10
                                                 3.0408      12
                                                 2.954        8
                                                 2.9177       8
                                                 2.8594       9
                                                 2.9967      10
    5    Na                  2.808        6
                                                 2.3284      11
                                                 2.3283      11
                                                 2.3283      11
                                                 2.4925       7
                                                 2.4926       7
                                                 2.4926       7
    6    Na                  2.808        6
                                                 2.5516      12
                                                 2.3585      11
                                                 2.5509      12
                                                 2.3358       8
                                                 2.436        9
                                                 2.3932      10
    7    O                   3.264        8
                                                 2.431        8
                                                 2.369        9
                                                 2.4008      10
                                                 2.68         7
                                                 2.68         7
                                                 2.9517       7
                                                 3.1945       8
                                                 2.9517       7
    8    O                   3.264        4
                                                 2.431        7
                                                 2.4064       9
                                                 2.4023      10
                                                 3.1945       7
    9    O                   3.264        6
                                                 2.369        7
                                                 2.4064       8
                                                 2.4257      10
                                                 2.7682      11
                                                 3.2368      11
                                                 3.1785      12
   10    O                   3.264        6
                                                 2.4008       7
                                                 2.4023       8
                                                 2.4257       9
                                                 2.7873      11
                                                 3.2148      12
                                                 3.2117      11
   11    O                   3.264        4
                                                 2.7873      10
                                                 2.7682       9
                                                 3.2116      10
                                                 3.2368       9
   12    O                   3.264        4
                                                 2.1637      12
                                                 2.1637      12
                                                 3.1785       9
                                                 3.2151      10
   13    H                   1.632        1
                                                 0.8417      11
   14    H                   1.632        1
                                                 0.8063      11

  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   1   0   1  5.814  11.629   0.057  191.9     6      143.9      360.7
    2   0   0   3  6.164  12.329   0.06   170.48    2      306.8      485.9
    3   1   0  -2  6.821  13.642   0.066  138.82    6      162.5      332.8
    4   1   1   0  9.448  18.896   0.092   71.3     6       56.4       20.6
    5   1   0   4  9.887  19.774   0.096   64.92    6       16.2        1.5
    6   2   0  -1 11.122  22.244   0.108   50.85    6       72.7       24.4
    7   1   1  -3 11.312  22.624   0.11    49.09    6       62.3       17.3
    8   1   1   3 11.312  22.624   0.11    49.09    6      102.8       47.1
    9   1   0  -5 11.684  23.368   0.113   45.88    6       15.5        1.0
   10   2   0   2 11.69   23.38    0.113   45.83    6      170.2      120.6
   11   0   0   6 12.402  24.803   0.12    40.49    2      229.9       64.8
   12   2   0  -4 13.742  27.483   0.133   32.6     6      155.2       71.3
   13   1   2  -1 14.672  29.344   0.142   28.36    6       68.9       12.2
   14   2   1   1 14.672  29.344   0.142   28.36    6       63.9       10.5
   15   2   0   5 15.111  30.222   0.146   26.62    6      546.8      723.0
   16   1   2   2 15.115  30.231   0.146   26.61    6      151.6       55.6
   17   2   1  -2 15.115  30.231   0.146   26.61    6      191.3       88.4
   18   1   0   7 15.538  31.077   0.15    25.07    6      158.8       57.4
   19   1   1  -6 15.683  31.366   0.151   24.58    6      102.3       23.4
   20   1   1   6 15.683  31.366   0.151   24.58    6       65.4        9.6
   21   3   0   0 16.518  33.036   0.159   21.97    6       37.8        2.9
   22   1   2  -4 16.783  33.565   0.161   21.23    6      116.1       26.0
   23   2   1   4 16.783  33.565   0.161   21.23    6      118.3       27.0
   24   1   0  -8 17.555  35.111   0.169   19.24    6      237.8       98.8
   25   3   0  -3 17.693  35.387   0.17    18.92    6      133.6       30.7
   26   3   0   3 17.693  35.387   0.17    18.92    6       12.3        0.3
   27   1   2   5 17.943  35.885   0.172   18.35    6      152.0       38.5
   28   2   1  -5 17.943  35.885   0.172   18.35    6      151.6       38.3
   29   2   0  -7 18.311  36.622   0.176   17.55    6      262.3      109.7
   30   0   0   9 18.793  37.586   0.18    16.57    2       66.9        2.2
   31   2   2   0 19.166  38.332   0.184   15.87    6      584.8      492.9
   32   2   0   8 20.084  40.169   0.192   14.3     6      333.7      144.7
   33   1   3   1 20.095  40.19    0.192   14.28    6      138.1       24.7
   34   3   1  -1 20.095  40.19    0.192   14.28    6      144.4       27.0
   35   2   2  -3 20.207  40.415   0.193   14.11    6      323.7      134.3
   36   2   2   3 20.207  40.415   0.193   14.11    6      249.5       79.8
   37   1   3  -2 20.434  40.868   0.195   13.76    6        8.5        0.1
   38   3   1   2 20.434  40.868   0.195   13.76    6       27.7        1.0
   39   1   2  -7 20.761  41.523   0.198   13.28    6      180.1       39.1
   40   2   1   7 20.761  41.523   0.198   13.28    6       80.0        7.7
   41   3   0  -6 20.874  41.748   0.199   13.12    6      185.3       40.9
   42   3   0   6 20.874  41.748   0.199   13.12    6       50.9        3.1
   43   1   1  -9 21.196  42.392   0.202   12.68    6       73.2        6.2
   44   1   1   9 21.196  42.392   0.202   12.68    6       80.9        7.5
   45   1   0  10 21.733  43.465   0.207   11.99    6      136.8       20.4
   46   1   3   4 21.746  43.492   0.207   11.97    6      148.4       23.9
   47   3   1  -4 21.746  43.492   0.207   11.97    6       88.8        8.6
   48   1   2   8 22.372  44.744   0.213   11.23    6       34.0        1.2
   49   2   1  -8 22.372  44.744   0.213   11.23    6       79.9        6.5
   50   4   0   1 22.382  44.764   0.213   11.22    6       26.2        0.7
   51   1   3  -5 22.69   45.379   0.216   10.88    6       69.8        4.8
   52   3   1   5 22.69   45.379   0.216   10.88    6       65.9        4.3
   53   4   0  -2 22.693  45.386   0.216   10.87    6      130.1       16.7
   54   2   2  -6 23.098  46.197   0.219   10.45    6      102.6       10.0
   55   2   2   6 23.098  46.197   0.219   10.45    6       35.0        1.2
   56   1   0 -11 23.89   47.78    0.226    9.68    6       52.7        2.4
   57   2   0 -10 23.893  47.786   0.226    9.68    6      109.4       10.5
   58   4   0   4 23.905  47.811   0.227    9.67    6      330.1       95.6
   59   2   3  -1 24.497  48.995   0.232    9.14    6        0.5        0.0
   60   3   2   1 24.497  48.995   0.232    9.14    6       73.4        4.5
   61   4   0  -5 24.785  49.57    0.234    8.9     6      228.9       42.4
   62   2   3   2 24.788  49.576   0.234    8.9     6       14.3        0.2
   63   3   2  -2 24.788  49.576   0.234    8.9     6       95.5        7.4
   64   1   3   7 25.07   50.14    0.237    8.67    6       29.3        0.7
   65   3   1  -7 25.07   50.14    0.237    8.67    6       71.9        4.1
   66   0   0  12 25.438  50.875   0.24     8.39    2      496.3       62.6
   67   3   0  -9 25.447  50.893   0.24     8.39    6      101.0        7.8
   68   3   0   9 25.447  50.893   0.24     8.39    6      180.4       24.8
   69   1   4   0 25.741  51.482   0.243    8.17    6      108.5        8.7
   70   4   1   0 25.741  51.482   0.243    8.17    6      109.5        8.9
   71   2   0  11 25.912  51.823   0.244    8.05    6       56.3        2.3
   72   1   2 -10 25.915  51.829   0.244    8.04    6      132.7       12.9
   73   2   1  10 25.915  51.829   0.244    8.04    6      115.1        9.7
   74   2   3  -4 25.926  51.852   0.244    8.04    6       40.9        1.2
   75   3   2   4 25.926  51.852   0.244    8.04    6      114.4        9.6
   76   1   3  -8 26.476  52.953   0.249    7.66    6       56.1        2.2
   77   3   1   8 26.476  52.953   0.249    7.66    6       11.4        0.1
   78   1   4  -3 26.576  53.152   0.25     7.6     6      167.2       19.3
   79   1   4   3 26.576  53.152   0.25     7.6     6       19.3        0.3
   80   4   1  -3 26.576  53.152   0.25     7.6     6        1.8        0.0
   81   4   1   3 26.576  53.152   0.25     7.6     6       93.5        6.0
   82   2   3   5 26.757  53.514   0.252    7.48    6       24.5        0.4
   83   3   2  -5 26.757  53.514   0.252    7.48    6       77.4        4.1
   84   4   0   7 27.027  54.054   0.254    7.31    6       95.9        6.1
   85   1   1 -12 27.376  54.752   0.257    7.1     6      113.6        8.3
   86   1   1  12 27.376  54.752   0.257    7.1     6       98.3        6.2
   87   2   2  -9 27.384  54.769   0.257    7.09    6      157.1       15.9
   88   2   2   9 27.384  54.769   0.257    7.09    6      161.3       16.8
   89   1   2  11 27.827  55.653   0.261    6.84    6       61.4        2.3
   90   2   1 -11 27.827  55.653   0.261    6.84    6       37.9        0.9
   91   1   0  13 28.351  56.703   0.265    6.56    6      187.3       20.9
   92   4   0  -8 28.365  56.73    0.266    6.55    6      588.9      206.3
   93   5   0  -1 28.373  56.747   0.266    6.55    6       51.0        1.5
   94   5   0   2 28.636  57.272   0.268    6.41    6      237.1       32.7
   95   2   3  -7 28.891  57.783   0.27     6.28    6      163.9       15.3
   96   3   2   7 28.891  57.783   0.27     6.28    6      149.9       12.8
   97   1   4  -6 28.98   57.96    0.271    6.24    6      201.5       23.0
   98   1   4   6 28.98   57.96    0.271    6.24    6       64.7        2.4
   99   4   1  -6 28.98   57.96    0.271    6.24    6       58.4        1.9
  100   4   1   6 28.98   57.96    0.271    6.24    6      166.7       15.8
  101   3   3   0 29.502  59.004   0.275    5.99    6      108.1        6.4
  102   1   3  10 29.661  59.321   0.277    5.92    6        0.4        0.0
  103   3   1 -10 29.661  59.321   0.277    5.92    6       66.7        2.4
  104   5   0  -4 29.671  59.342   0.277    5.92    6       67.6        2.5
  105   2   0 -13 30.162  60.324   0.281    5.7     6      256.6       34.1
  106   2   3   8 30.175  60.351   0.281    5.7     6      152.2       12.0
  107   3   2  -8 30.175  60.351   0.281    5.7     6      160.6       13.4
  108   2   4   1 30.183  60.366   0.281    5.7     6      128.5        8.5
  109   4   2  -1 30.183  60.366   0.281    5.7     6      148.2       11.4
  110   3   3  -3 30.267  60.533   0.282    5.66    6       66.8        2.3
  111   3   3   3 30.267  60.533   0.282    5.66    6      108.2        6.0
  112   5   0   5 30.433  60.867   0.283    5.59    6       20.9        0.2
  113   2   4  -2 30.436  60.872   0.283    5.59    6       45.0        1.0
  114   4   2   2 30.436  60.872   0.283    5.59    6      118.6        7.1
  115   1   0 -14 30.664  61.328   0.285    5.5     6      125.5        7.9
  116   3   0 -12 31.004  62.009   0.288    5.37    6      111.1        6.0
  117   3   0  12 31.004  62.009   0.288    5.37    6       64.5        2.0
  118   1   3 -11 31.422  62.844   0.291    5.21    6      106.4        5.4
  119   3   1  11 31.422  62.844   0.291    5.21    6       47.8        1.1
  120   4   0  10 31.425  62.849   0.291    5.21    6       89.6        3.8
  121   2   4   4 31.435  62.87    0.292    5.21    6       30.9        0.5
  122   4   2  -4 31.435  62.87    0.292    5.21    6        2.7        0.0
  123   1   2 -13 31.91   63.819   0.295    5.04    6       96.3        4.2
  124   2   1  13 31.91   63.819   0.295    5.04    6       64.4        1.9
  125   1   5  -1 31.93   63.86    0.296    5.03    6       95.9        4.2
  126   5   1   1 31.93   63.86    0.296    5.03    6      196.2       17.6
  127   2   4  -5 32.172  64.345   0.298    4.95    6      248.5       27.7
  128   4   2   5 32.172  64.345   0.298    4.95    6      193.0       16.7
  129   1   5   2 32.175  64.35    0.298    4.95    6       46.5        1.0
  130   5   1  -2 32.175  64.35    0.298    4.95    6       38.7        0.7
  131   2   0  14 32.396  64.792   0.299    4.87    6       42.2        0.8
  132   5   0  -7 32.414  64.827   0.3      4.87    6      157.3       10.9
  133   0   0  15 32.474  64.947   0.3      4.85    2       94.8        1.3
  134   3   3  -6 32.496  64.993   0.3      4.84    6      176.6       13.7
  135   3   3   6 32.496  64.993   0.3      4.84    6      112.8        5.6
  136   2   2 -12 32.726  65.453   0.302    4.77    6      155.3       10.4
  137   2   2  12 32.726  65.453   0.302    4.77    6      180.8       14.2
  138   1   4  -9 32.734  65.468   0.302    4.77    6      166.2       12.0
  139   1   4   9 32.734  65.468   0.302    4.77    6       12.4        0.1
  140   4   1  -9 32.734  65.468   0.302    4.77    6       22.3        0.2
  141   4   1   9 32.734  65.468   0.302    4.77    6      135.2        7.9
  142   4   0 -11 33.132  66.264   0.306    4.64    6        6.5        0.0
  143   2   3 -10 33.134  66.269   0.306    4.64    6       25.1        0.3
  144   3   2  10 33.134  66.269   0.306    4.64    6       19.5        0.2
  145   1   5  -4 33.144  66.289   0.306    4.64    6        7.8        0.0
  146   5   1   4 33.144  66.289   0.306    4.64    6       17.7        0.1
  147   5   0   8 33.619  67.238   0.309    4.5     6       89.5        3.3
  148   1   5   5 33.862  67.724   0.311    4.44    6       25.2        0.3
  149   5   1  -5 33.862  67.724   0.311    4.44    6      103.3        4.3
  150   1   2  14 34.08   68.16    0.313    4.38    6      252.1       25.3
  151   2   1 -14 34.08   68.16    0.313    4.38    6      214.1       18.2
  152   2   4   7 34.097  68.195   0.313    4.37    6       27.9        0.3
  153   4   2  -7 34.097  68.195   0.313    4.37    6        7.6        0.0
  154   1   1 -15 34.156  68.312   0.314    4.36    6       18.7        0.1
  155   1   1  15 34.156  68.312   0.314    4.36    6        0.9        0.0
  156   6   0   0 34.655  69.31    0.318    4.23    6      373.9       53.7
  157   2   3  11 34.798  69.596   0.319    4.19    6       69.6        1.8
  158   3   2 -11 34.798  69.596   0.319    4.19    6      163.7       10.2
  159   1   3  13 35.262  70.524   0.323    4.08    6       47.5        0.8
  160   3   1 -13 35.262  70.524   0.323    4.08    6        3.0        0.0
  161   2   4  -8 35.274  70.548   0.323    4.08    6      374.7       52.0
  162   4   2   8 35.274  70.548   0.323    4.08    6      318.0       37.5
  163   3   4  -1 35.281  70.562   0.323    4.08    6      156.1        9.0
  164   4   3   1 35.281  70.562   0.323    4.08    6      186.7       12.9
  165   6   0  -3 35.358  70.716   0.323    4.06    6      322.3       38.3
  166   6   0   3 35.358  70.716   0.323    4.06    6      122.4        5.5
  167   1   0  16 35.485  70.971   0.324    4.03    6      121.1        5.4
  168   3   4   2 35.514  71.029   0.325    4.03    6       16.8        0.1
  169   4   3  -2 35.514  71.029   0.325    4.03    6       35.3        0.5
  170   1   5  -7 35.742  71.484   0.327    3.97    6      106.4        4.1
  171   5   1   7 35.742  71.484   0.327    3.97    6       62.8        1.4
  172   3   3  -9 36.048  72.096   0.329    3.91    6       36.9        0.5
  173   3   3   9 36.048  72.096   0.329    3.91    6        1.3        0.0
  174   2   5   0 36.289  72.578   0.331    3.86    6       37.0        0.5
  175   5   2   0 36.289  72.578   0.331    3.86    6       17.6        0.1
  176   5   0 -10 36.431  72.863   0.332    3.83    6      277.3       26.8
  177   3   4  -4 36.441  72.882   0.332    3.83    6       93.7        3.1
  178   4   3   4 36.441  72.882   0.332    3.83    6       85.4        2.5
  179   4   0  13 36.884  73.768   0.336    3.74    6      283.5       27.3
  180   1   5   8 36.896  73.792   0.336    3.74    6        3.4        0.0
  181   5   1  -8 36.896  73.792   0.336    3.74    6        2.6        0.0
  182   2   5  -3 36.979  73.957   0.336    3.72    6        6.2        0.0
  183   2   5   3 36.979  73.957   0.336    3.72    6      167.3        9.5
  184   5   2  -3 36.979  73.957   0.336    3.72    6      111.5        4.2
  185   5   2   3 36.979  73.957   0.336    3.72    6       51.4        0.9
  186   2   0 -16 37.104  74.207   0.337    3.7     6      221.7       16.5
  187   3   4   5 37.13   74.26    0.337    3.7     6       36.0        0.4
  188   4   3  -5 37.13   74.26    0.337    3.7     6       35.7        0.4
  189   1   3 -14 37.339  74.679   0.339    3.66    6        0.6        0.0
  190   3   1  14 37.339  74.679   0.339    3.66    6       20.7        0.1
  191   3   0 -15 37.412  74.824   0.34     3.64    6       74.6        1.8
  192   3   0  15 37.412  74.824   0.34     3.64    6       10.9        0.0
  193   6   0  -6 37.434  74.867   0.34     3.64    6       36.6        0.4
  194   6   0   6 37.434  74.867   0.34     3.64    6       35.4        0.4
  195   1   4 -12 37.65   75.299   0.341    3.6     6       72.9        1.7
  196   1   4  12 37.65   75.299   0.341    3.6     6       31.2        0.3
  197   4   1 -12 37.65   75.299   0.341    3.6     6       19.5        0.1
  198   4   1  12 37.65   75.299   0.341    3.6     6      106.9        3.7
  199   1   0 -17 38.013  76.025   0.344    3.54    6       82.5        2.2
  200   5   0  11 38.032  76.063   0.344    3.54    6      104.5        3.5
  201   2   4  10 38.034  76.068   0.344    3.54    6      158.3        8.1
  202   4   2 -10 38.034  76.068   0.344    3.54    6      165.2        8.8
  203   2   3 -13 38.48   76.96    0.348    3.47    6      141.3        6.3
  204   3   2  13 38.48   76.96    0.348    3.47    6      171.1        9.2
  205   1   6   1 38.499  76.997   0.348    3.46    6       62.9        1.2
  206   6   1  -1 38.499  76.997   0.348    3.46    6       34.2        0.4
  207   1   2 -16 38.696  77.393   0.349    3.43    6        0.6        0.0
  208   2   1  16 38.696  77.393   0.349    3.43    6       64.8        1.3
  209   1   6  -2 38.724  77.449   0.35     3.43    6       72.4        1.6
  210   6   1   2 38.724  77.449   0.35     3.43    6       69.2        1.5
  211   4   0 -14 38.929  77.858   0.351    3.4     6       62.1        1.2
  212   3   4  -7 38.945  77.89    0.351    3.4     6      150.1        7.0
  213   4   3   7 38.945  77.89    0.351    3.4     6       81.8        2.1
  214   2   2 -15 39.001  78.002   0.352    3.39    6      196.2       11.9
  215   2   2  15 39.001  78.002   0.352    3.39    6      232.0       16.6
  216   2   5  -6 39.022  78.044   0.352    3.39    6       70.9        1.5
  217   2   5   6 39.022  78.044   0.352    3.39    6       14.7        0.1
  218   5   2  -6 39.022  78.044   0.352    3.39    6       55.1        0.9
  219   5   2   6 39.022  78.044   0.352    3.39    6       28.6        0.3
  220   2   0  17 39.594  79.187   0.356    3.31    6      110.4        3.7
  221   2   4 -11 39.612  79.225   0.356    3.3     6      136.4        5.6
  222   4   2  11 39.612  79.225   0.356    3.3     6       91.8        2.5
  223   1   5 -10 39.615  79.229   0.356    3.3     6       17.7        0.1
  224   5   1  10 39.615  79.229   0.356    3.3     6       20.1        0.1
  225   1   6   4 39.624  79.248   0.356    3.3     6       16.2        0.1
  226   6   1  -4 39.624  79.248   0.356    3.3     6       41.7        0.5
  227   3   4   8 40.067  80.134   0.36     3.25    6       59.3        1.0
  228   4   3  -8 40.067  80.134   0.36     3.25    6       42.2        0.5
  229   0   0  18 40.113  80.226   0.36     3.24    2      213.8        4.5
  230   1   6  -5 40.295  80.59    0.362    3.22    6      131.7        5.1
  231   6   1   5 40.295  80.59    0.362    3.22    6      119.2        4.2
  232   2   3  14 40.5    80.999   0.363    3.19    6      124.2        4.5
  233   3   2 -14 40.5    80.999   0.363    3.19    6      115.6        3.9
  234   3   3 -12 40.803  81.606   0.365    3.16    6       34.3        0.3
  235   3   3  12 40.803  81.606   0.365    3.16    6       79.8        1.8
  236   6   0  -9 40.81   81.619   0.365    3.16    6       15.9        0.1
  237   6   0   9 40.81   81.619   0.365    3.16    6      168.5        8.1
  238   4   4   0 41.041  82.083   0.367    3.13    6      466.1       61.8
  239   1   2  17 41.158  82.316   0.368    3.12    6       33.9        0.3
  240   2   1 -17 41.158  82.316   0.368    3.12    6        0.8        0.0
  241   1   5  11 41.177  82.353   0.368    3.12    6       19.0        0.1
  242   5   1 -11 41.177  82.353   0.368    3.12    6       84.5        2.0
  243   5   0 -13 41.616  83.232   0.371    3.07    6       75.3        1.6
  244   3   5   1 41.634  83.269   0.371    3.07    6       21.8        0.1
  245   5   3  -1 41.634  83.269   0.371    3.07    6       34.5        0.3
  246   7   0   1 41.634  83.269   0.371    3.07    6        8.5        0.0
  247   1   1 -18 41.673  83.346   0.372    3.07    6       15.9        0.1
  248   1   1  18 41.673  83.346   0.372    3.07    6       21.6        0.1
  249   4   4  -3 41.707  83.415   0.372    3.07    6      197.0       10.8
  250   4   4   3 41.707  83.415   0.372    3.07    6      168.2        7.9
  251   1   3  16 41.828  83.657   0.373    3.05    6       22.2        0.1
  252   3   1 -16 41.828  83.657   0.373    3.05    6       39.1        0.4
  253   3   5  -2 41.856  83.712   0.373    3.05    6       33.6        0.3
  254   5   3   2 41.856  83.712   0.373    3.05    6       97.0        2.6
  255   7   0  -2 41.856  83.712   0.373    3.05    6       23.2        0.1
  256   1   6   7 42.073  84.146   0.375    3.03    6        4.3        0.0
  257   6   1  -7 42.073  84.146   0.375    3.03    6       15.0        0.1
  258   2   5  -9 42.365  84.73    0.377    3.01    6       13.8        0.1
  259   2   5   9 42.365  84.73    0.377    3.01    6      110.0        3.3
  260   5   2  -9 42.365  84.73    0.377    3.01    6       62.7        1.1
  261   5   2   9 42.365  84.73    0.377    3.01    6       24.4        0.2
  262   3   4 -10 42.732  85.463   0.379    2.98    6        8.3        0.0
  263   4   3  10 42.732  85.463   0.379    2.98    6       31.1        0.3
  264   3   5   4 42.741  85.482   0.379    2.97    6       57.4        0.9
  265   5   3  -4 42.741  85.482   0.379    2.97    6       38.9        0.4
  266   7   0   4 42.741  85.482   0.379    2.97    6       37.3        0.4
  267   2   4  13 43.166  86.333   0.382    2.94    6      345.8       31.9
  268   4   2 -13 43.166  86.333   0.382    2.94    6      294.2       23.1
  269   1   6  -8 43.178  86.356   0.383    2.94    6       47.5        0.6
  270   6   1   8 43.178  86.356   0.383    2.94    6       16.3        0.1
  271   2   6  -1 43.185  86.369   0.383    2.94    6       18.9        0.1
  272   6   2   1 43.185  86.369   0.383    2.94    6       29.5        0.2
  273   1   0  19 43.366  86.733   0.384    2.93    6      121.7        3.9
  274   4   0  16 43.378  86.756   0.384    2.93    6      297.1       23.5
  275   3   5  -5 43.403  86.806   0.384    2.92    6        5.8        0.0
  276   5   3   5 43.403  86.806   0.384    2.92    6       46.7        0.6
  277   7   0  -5 43.403  86.806   0.384    2.92    6       51.8        0.7
  278   2   6   2 43.405  86.811   0.384    2.92    6      132.6        4.7
  279   6   2  -2 43.405  86.811   0.384    2.92    6      144.5        5.5
  280   5   0  14 43.605  87.21    0.386    2.91    6      176.9        8.3
  281   1   4 -15 43.676  87.351   0.386    2.91    6       10.3        0.0
  282   1   4  15 43.676  87.351   0.386    2.91    6       84.2        1.9
  283   4   1 -15 43.676  87.351   0.386    2.91    6       84.5        1.9
  284   4   1  15 43.676  87.351   0.386    2.91    6       24.5        0.2
  285   4   4  -6 43.696  87.393   0.386    2.9     6       49.8        0.7
  286   4   4   6 43.696  87.393   0.386    2.9     6       46.2        0.6
  287   1   3 -17 44.257  88.514   0.39     2.87    6       60.1        0.9
  288   3   1  17 44.257  88.514   0.39     2.87    6        0.0        0.0
  289   3   4  11 44.276  88.551   0.39     2.87    6      114.3        3.4
  290   4   3 -11 44.276  88.551   0.39     2.87    6       63.3        1.0
  291   2   6  -4 44.287  88.574   0.39     2.87    6       53.9        0.8
  292   6   2   4 44.287  88.574   0.39     2.87    6       92.2        2.2
  293   1   5 -13 44.711  89.423   0.393    2.84    6        0.9        0.0
  294   5   1  13 44.711  89.423   0.393    2.84    6       31.2        0.3
  295   3   0 -18 44.768  89.536   0.394    2.84    6      108.4        3.0
  296   3   0  18 44.768  89.536   0.394    2.84    6      192.2        9.5
  297   2   0 -19 44.911  89.822   0.395    2.83    6        9.9        0.0
  298   2   3 -16 44.923  89.845   0.395    2.83    6        7.8        0.0
  299   3   2  16 44.923  89.845   0.395    2.83    6       38.3        0.4
  300   2   6   5 44.948  89.896   0.395    2.83    6      262.6       17.7
  301   6   2  -5 44.948  89.896   0.395    2.83    6      291.7       21.9


  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   0   1   5.814  11.629  8.82921      360.7     41.6     42.1     5.6
    2   0   0   3   6.164  12.329  8.32967      485.9     56.0     56.7     5.6
    3   1   0   2   6.821  13.642  7.53091      332.8     38.4     38.8     5.6
    4   1   1   0   9.448  18.896  5.449         20.6      2.4      2.4     5.6
    5   2   0   1  11.122  22.244  4.63702       24.4      2.8      2.8     5.6
    6   1   1   3  11.312  22.624  4.55998       64.4      7.4      7.5     5.6
    7   2   0   2  11.69   23.38   4.4146       120.6     13.9     14.0     5.6
    8   0   0   6  12.402  24.803  4.16483       64.8      7.5      7.5     5.6
    9   2   0   4  13.742  27.483  3.76545       71.3      8.2      8.2     5.6
   10   1   2   1  14.672  29.344  3.53141       22.7      2.6      2.6     5.6
   11   2   0   5  15.111  30.222  3.43116      867.0    100.0    100.0     5.6
   12   1   0   7  15.538  31.077  3.33899       57.4      6.6      6.6     5.6
   13   1   1   6  15.683  31.366  3.30897       32.9      3.8      3.8     5.6
   14   2   1   4  16.783  33.565  3.09777       53.0      6.1      6.1     5.7
   15   1   0   8  17.555  35.111  2.96543       98.8     11.4     11.3     5.7
   16   3   0   3  17.693  35.387  2.94307       30.9      3.6      3.6     5.7
   17   1   2   5  17.943  35.885  2.90348       76.8      8.9      8.8     5.7
   18   2   0   7  18.311  36.622  2.84699      109.7     12.6     12.6     5.7
   19   2   2   0  19.166  38.332  2.7245       492.9     56.9     56.4     5.7
   20   2   0   8  20.084  40.169  2.60469      196.4     22.7     22.5     5.7
   21   2   2   3  20.207  40.415  2.5895       214.1     24.7     24.5     5.7
   22   1   2   7  20.761  41.523  2.52333       46.8      5.4      5.3     5.7
   23   3   0   6  20.874  41.748  2.5103        44.0      5.1      5.0     5.7
   24   1   1   9  21.196  42.392  2.4739        13.7      1.6      1.6     5.7
   25   1   3   4  21.746  43.492  2.41425       52.9      6.1      6.0     5.7
   26   4   0   2  22.693  45.386  2.31851       25.8      3.0      2.9     5.7
   27   2   2   6  23.098  46.197  2.27999       11.2      1.3      1.3     5.7
   28   4   0   4  23.905  47.811  2.2073       108.6     12.5     12.3     5.7
   29   4   0   5  24.785  49.57   2.13366       49.9      5.8      5.6     5.7
   30   0   0  12  25.438  50.875  2.08242       95.1     11.0     10.7     5.8
   31   4   1   0  25.741  51.482  2.05953       17.6      2.0      2.0     5.8
   32   3   2   4  25.926  51.852  2.04582       35.6      4.1      4.0     5.8
   33   1   4   3  26.576  53.152  1.99932       25.6      2.9      2.9     5.8
   34   2   2   9  27.384  54.769  1.94466       47.2      5.4      5.3     5.8
   35   4   0   8  28.365  56.73   1.88273      228.8     26.4     25.6     5.8
   36   5   0   2  28.636  57.272  1.86641       32.7      3.8      3.7     5.8
   37   2   3   7  28.891  57.783  1.8513        28.2      3.2      3.2     5.8
   38   1   4   6  28.98   57.96   1.84614       43.1      5.0      4.8     5.8
   39   2   0  13  30.162  60.324  1.7802        79.4      9.2      8.8     5.8
   40   1   3  11  31.422  62.844  1.7157        10.7      1.2      1.2     5.9
   41   5   1   1  31.93   63.86   1.69122       27.9      3.2      3.1     5.9
   42   2   4   5  32.172  64.345  1.67984       46.1      5.3      5.1     5.9
   43   5   0   7  32.414  64.827  1.66868       10.9      1.3      1.2     5.9
   44   3   3   6  32.496  64.993  1.66489       20.6      2.4      2.3     5.9
   45   1   4   9  32.734  65.468  1.65414       44.8      5.2      5.0     5.9
   46   1   2  14  34.08   68.16   1.59625       43.8      5.1      4.8     5.9
   47   6   0   0  34.655  69.31   1.57299       53.7      6.2      5.9     5.9
   48   3   2  11  34.798  69.596  1.56734       12.1      1.4      1.3     5.9
   49   2   4   8  35.274  70.548  1.54888      111.5     12.9     12.2     5.9
   50   6   0   3  35.358  70.716  1.54567       43.8      5.1      4.8     5.9
   51   5   0  10  36.431  72.863  1.50618       32.3      3.7      3.5     6.0
   52   4   0  13  36.884  73.768  1.49028       27.3      3.2      3.0     6.0
   53   2   5   3  36.979  73.957  1.487         14.6      1.7      1.6     6.0
   54   2   0  16  37.104  74.207  1.48272       17.4      2.0      1.9     6.0
   55   4   2  10  38.034  76.068  1.45174       22.5      2.6      2.4     6.0
   56   3   2  13  38.48   76.96   1.43749       17.1      2.0      1.9     6.0
   57   4   3   7  38.945  77.89   1.42299       10.2      1.2      1.1     6.0
   58   2   2  15  39.001  78.002  1.42129       31.2      3.6      3.4     6.0
   59   2   4  11  39.612  79.225  1.40288       12.0      1.4      1.3     6.0
   60   1   6   5  40.295  80.59   1.38306        9.2      1.1      1.0     6.1
   61   6   0   9  40.81   81.619  1.36862       10.0      1.2      1.1     6.1
   62   4   4   0  41.041  82.083  1.36225       61.8      7.1      6.6     6.1
   63   4   4   3  41.707  83.415  1.34439       18.7      2.2      2.0     6.1
   64   2   4  13  43.166  86.333  1.30746       56.1      6.5      5.9     6.1
   65   4   0  16  43.378  86.756  1.30235       37.6      4.3      4.0     6.1
   66   3   0  18  44.768  89.536  1.27011       12.6      1.4      1.3     6.2
   67   6   2   5  44.948  89.896  1.26611       39.6      4.6      4.2     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)