Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

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          ***      W W W - X R A Y P O L       ***
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MELANTERITE

4, syn, f-hexahydrite, g-melanterite

(Fe,Cu)SO(4).7H(2)O


Monoclinic  P 2(1)/c  Z = 4

R =0.084          NR =2799

21 .9 .1904

Ref.Str.:

         R.C. Peterson (2001)

         * Canad. Mineral., 41, 937-949

Reserv:

         See U(eq) in the original.    D.T.N.

                   Initial data from BDM-file 

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

             a =  14.06     alpha =   90.0 
             b =   6.505    beta  =  105.75
             c =  10.943    gamma =   90.0 

    Unit cell volume (cub. angs.) =   963.27

    Molar volume ( cub.cm/mol.) =   145.05

  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 0.5     0.0     0.5      0.0    Fe    = 0.8 , Cu    = 0.2 
   3 0.773   0.9704  0.3241   0.0    S     = 1.00
   4 0.7954  0.9702  0.4642   0.0    O     = 1.00
   5 0.8628  0.0369  0.2887   0.0    O     = 1.00
   6 0.6908  0.1148  0.2733   0.0    O     = 1.00
   7 0.7459  0.7607  0.2748   0.0    O     = 1.00
   8 0.887   0.8848  0.0689   0.0    H(2)O = 1.00
   9 0.1026  0.9565  0.1836   0.0    H(2)O = 1.00
  10 0.9696  0.2958  0.0669   0.0    H(2)O = 1.00
  11 0.527   0.9585  0.3197   0.0    H(2)O = 1.00
  12 0.4299  0.284   0.4417   0.0    H(2)O = 1.00
  13 0.3527  0.8553  0.4399   0.0    H(2)O = 1.00
  14 0.3637  0.0047  0.114    0.0    H(2)O = 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     0.5        0.0        0.5   
     3       3     0.773      0.9704     0.3241
     4       4     0.7954     0.9702     0.4642
     5       5     0.8628     0.0369     0.2887
     6       6     0.6908     0.1148     0.2733
     7       7     0.7459     0.7607     0.2748
     8       8     0.887      0.8848     0.0689
     9       9     0.1026     0.9565     0.1836
    10      10     0.9696     0.2958     0.0669
    11      11     0.527      0.9585     0.3197
    12      12     0.4299     0.284      0.4417
    13      13     0.3527     0.8553     0.4399
    14      14     0.3637     0.0047     0.114 
    15       1     0.0        0.5        0.5   
    16       2     0.5        0.5        0.0   
    17       3     0.227      0.4704     0.1759
    18       4     0.2046     0.4702     0.0358
    19       5     0.1372     0.5369     0.2113
    20       6     0.3092     0.6148     0.2267
    21       7     0.2541     0.2607     0.2252
    22       8     0.113      0.3848     0.4311
    23       9     0.8974     0.4565     0.3164
    24      10     0.0304     0.7958     0.4331
    25      11     0.473      0.4585     0.1803
    26      12     0.5701     0.784      0.0583
    27      13     0.6473     0.3553     0.0601
    28      14     0.6363     0.5047     0.386 
    29       3     0.773      0.5296     0.8241
    30       4     0.7954     0.5298     0.9642
    31       5     0.8628     0.4631     0.7887
    32       6     0.6908     0.3852     0.7733
    33       7     0.7459     0.7393     0.7748
    34       8     0.887      0.6152     0.5689
    35       9     0.1026     0.5435     0.6836
    36      10     0.9696     0.2042     0.5669
    37      11     0.527      0.5415     0.8197
    38      12     0.4299     0.216      0.9417
    39      13     0.3527     0.6447     0.9399
    40      14     0.3637     0.4953     0.614 
    41       3     0.227      0.0296     0.6759
    42       4     0.2046     0.0298     0.5358
    43       5     0.1372     0.9631     0.7113
    44       6     0.3092     0.8852     0.7267
    45       7     0.2541     0.2393     0.7252
    46       8     0.113      0.1152     0.9311
    47       9     0.8974     0.0435     0.8164
    48      10     0.0304     0.7042     0.9331
    49      11     0.473      0.0415     0.6803
    50      12     0.5701     0.716      0.5583
    51      13     0.6473     0.1447     0.5601
    52      14     0.6363     0.9953     0.886 


X-ray density (g/cm cub.)   =      1.92

MU (1/cm) =      75.248    Mass attenuation coefficient (cm**2/g) =     39.158

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

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

    1    Fe                  2.76         6
                                                 2.0747       8
                                                 2.1504       9
                                                 2.1427      10
                                                 2.0747       8
                                                 2.1504       9
                                                 2.1427      10
    2   Fe   ,Cu             2.976        6
                                                 2.1252      11
                                                 2.1095      12
                                                 2.2064      13
                                                 2.1252      11
                                                 2.1095      12
                                                 2.2064      13
    3    S                   2.148        4
                                                 1.479        4
                                                 1.4822       5
                                                 1.4759       6
                                                 1.4783       7
    4    O                   3.432        6
                                                 2.4005       5
                                                 2.3966       6
                                                 2.4195       7
                                                 2.7392       8
                                                 2.8433      10
                                                 2.8128      13
    5    O                   3.432        7
                                                 2.4005       4
                                                 2.4315       6
                                                 2.4118       7
                                                 2.7063       8
                                                 2.7746       9
                                                 2.9134      10
                                                 3.1977      10
    6    O                   3.432        8
                                                 2.3966       4
                                                 2.4315       5
                                                 2.4288       7
                                                 2.6889      11
                                                 3.2982      12
                                                 2.7368      13
                                                 3.009       14
                                                 3.3621      13
    7    O                   3.432        7
                                                 2.4195       4
                                                 2.4118       5
                                                 2.4288       6
                                                 2.852        9
                                                 2.9268      12
                                                 2.7652      14
                                                 3.4239       8
    8    H(2)O               3.6          8
                                                 2.7063       5
                                                 3.4772       7
                                                 2.986        9
                                                 2.9173      10
                                                 2.7392       4
                                                 3.4239       7
                                                 2.9902       9
                                                 3.0463      10
    9    H(2)O               3.6          8
                                                 2.986        8
                                                 2.95        10
                                                 2.7746       5
                                                 3.5857       6
                                                 2.852        7
                                                 3.329       10
                                                 2.9902       8
                                                 3.1189      10
   10    H(2)O               3.6         10
                                                 2.9173       8
                                                 2.95         9
                                                 3.5959       4
                                                 2.9134       5
                                                 3.329        9
                                                 2.8433       4
                                                 3.1977       5
                                                 3.0463       8
                                                 3.1189       9
                                                 3.2576      10
   11    H(2)O               3.6         11
                                                 2.6889       6
                                                 3.4915       7
                                                 3.0198      12
                                                 3.1522      13
                                                 2.761       14
                                                 3.5852      11
                                                 3.5852      11
                                                 3.2832      12
                                                 3.3161      14
                                                 2.9688      12
                                                 2.972       13
   12    H(2)O               3.6         10
                                                 3.0198      11
                                                 2.9906      13
                                                 3.2982       6
                                                 2.9268       7
                                                 3.2832      11
                                                 3.4372      14
                                                 2.6951      14
                                                 2.9688      11
                                                 3.4706      12
                                                 3.1133      13
   13    H(2)O               3.6          9
                                                 3.1522      11
                                                 2.9906      12
                                                 2.7368       6
                                                 3.5536       7
                                                 2.9963      14
                                                 2.8128       4
                                                 3.3621       6
                                                 2.972       11
                                                 3.1133      12
   14    H(2)O               3.6          7
                                                 2.761       11
                                                 3.009        6
                                                 2.7652       7
                                                 3.3161      11
                                                 3.4372      12
                                                 2.6951      12
                                                 2.9963      13

  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   0  3.79    7.58    0.037  454.77    2        5.8        3.3
    2   2   0   0  7.597  15.193   0.074  111.49    2       36.2       31.5
    3   1   1   0  8.776  17.551   0.085   82.99    4       20.4       14.9
    4   0   1   1  9.301  18.601   0.09    73.64    4       42.7       57.8
    5   1   0  -2  9.479  18.959   0.092   70.81    2       77.2       91.1
    6   1   1  -1  9.535  19.07    0.093   69.96    4       26.7       21.4
    7   0   0   2  9.779  19.559   0.095   66.4     2       54.6       42.7
    8   1   1   1 10.552  21.104   0.102   56.73    4      173.4      735.4
    9   2   0  -2 10.647  21.294   0.103   55.68    2      178.8      383.8
   10   2   1   0 10.996  21.992   0.107   52.07    4        8.6        1.6
   11   2   1  -1 11.166  22.332   0.108   50.44    4       13.9        4.2
   12   1   0   2 11.436  22.873   0.111   47.98    2       81.8       69.2
   13   3   0   0 11.437  22.875   0.111   47.97    2       25.5        6.7
   14   1   1  -2 12.389  24.778   0.12    40.58    4       12.0        2.5
   15   0   1   2 12.623  25.246   0.122   39.01    4       13.9        3.3
   16   2   1   1 12.88   25.761   0.125   37.39    4       66.8       71.9
   17   3   0  -2 12.906  25.812   0.125   37.23    2       28.6        6.5
   18   2   1  -2 13.315  26.631   0.129   34.85    4       16.3        4.0
   19   3   1  -1 13.726  27.451   0.133   32.68    4      173.2      422.7
   20   1   1   2 13.963  27.926   0.135   31.52    4        2.7        0.1
   21   3   1   0 13.964  27.927   0.135   31.51    4       18.2        4.5
   22   2   0   2 13.999  27.998   0.135   31.34    2      138.9      130.3
   23   3   1  -2 15.206  30.412   0.147   26.27    4        6.5        0.5
   24   4   0   0 15.331  30.662   0.148   25.81    2       86.1       41.3
   25   4   0  -2 15.826  31.652   0.152   24.1     2        9.9        0.5
   26   3   1   1 15.849  31.698   0.153   24.03    4       56.2       32.7
   27   0   2   0 15.962  31.925   0.154   23.66    2      181.5      168.0
   28   2   1   2 16.156  32.312   0.156   23.05    4        2.3        0.1
   29   1   1  -3 16.329  32.658   0.157   22.53    4      104.0      105.0
   30   1   2   0 16.43   32.859   0.158   22.23    4       10.7        1.1
   31   0   2   1 16.728  33.455   0.161   21.38    4       36.8       12.5
   32   2   1  -3 16.745  33.491   0.161   21.33    4       75.4       52.3
   33   0   1   3 16.829  33.658   0.162   21.1     4       36.7       12.3
   34   4   1  -1 16.831  33.661   0.162   21.1     4       17.5        2.8
   35   1   2  -1 16.864  33.729   0.162   21.0     4       32.8        9.7
   36   3   0   2 17.1    34.199   0.164   20.38    2       84.8       31.6
   37   4   1   0 17.338  34.677   0.167   19.77    4       74.2       46.9
   38   1   2   1 17.483  34.967   0.168   19.42    4       16.0        2.1
   39   2   2   0 17.766  35.532   0.171   18.75    4       34.2        9.5
   40   4   1  -2 17.784  35.567   0.171   18.71    4       56.8       26.1
   41   2   2  -1 17.876  35.752   0.172   18.5     4        6.6        0.3
   42   3   1  -3 18.022  36.043   0.173   18.17    4       39.5       12.2
   43   1   1   3 18.179  36.357   0.174   17.83    4       32.0        7.9
   44   1   2  -2 18.696  37.393   0.179   16.76    4       79.0       45.1
   45   0   2   2 18.858  37.717   0.181   16.44    4       24.3        4.2
   46   3   1   2 18.941  37.882   0.181   16.29    4       63.8       28.6
   47   2   2   1 19.039  38.078   0.182   16.1     4       31.8        7.0
   48   1   0  -4 19.147  38.294   0.183   15.9     2      118.7       48.3
   49   5   0  -2 19.149  38.298   0.183   15.9     2       79.0       21.4
   50   4   1   1 19.206  38.411   0.184   15.79    4      113.9       88.4
   51   2   0  -4 19.232  38.463   0.184   15.75    2       21.4        1.6
   52   5   0   0 19.299  38.598   0.185   15.63    2        4.4        0.1
   53   2   2  -2 19.348  38.696   0.185   15.54    4       36.7        9.0
   54   3   2  -1 19.645  39.289   0.188   15.02    4       19.3        2.4
   55   1   2   2 19.818  39.636   0.19    14.73    4       89.5       50.9
   56   3   2   0 19.819  39.637   0.19    14.73    4       76.1       36.7
   57   0   0   4 19.859  39.718   0.19    14.66    2      105.0       34.8
   58   4   1  -3 20.016  40.032   0.191   14.41    4       87.9       48.0
   59   3   0  -4 20.104  40.209   0.192   14.27    2       68.0       14.2
   60   2   1   3 20.231  40.462   0.193   14.07    4       30.7        5.7
   61   5   1  -1 20.278  40.555   0.194   14.0     4        2.0        0.0
   62   4   0   2 20.543  41.086   0.196   13.6     2       73.5       15.8
   63   3   2  -2 20.749  41.499   0.198   13.3     4       43.6       10.9
   64   1   1  -4 20.833  41.667   0.199   13.18    4       26.0        3.8
   65   5   1  -2 20.835  41.67    0.199   13.18    4       49.6       14.0
   66   2   1  -4 20.912  41.824   0.2     13.07    4        1.7        0.0
   67   5   1   0 20.975  41.95    0.2     12.98    4       54.1       16.4
   68   3   2   1 21.245  42.491   0.203   12.61    4       70.5       27.1
   69   1   0   4 21.301  42.601   0.203   12.54    2      130.8       46.3
   70   2   2   2 21.485  42.97    0.205   12.3     4       38.8        8.0
   71   0   1   4 21.499  42.997   0.205   12.28    4        2.1        0.0
   72   1   2  -3 21.621  43.242   0.206   12.13    4       26.0        3.5
   73   4   0  -4 21.686  43.372   0.207   12.05    2       94.3       23.1
   74   3   1  -4 21.729  43.458   0.207   11.99    4       65.9       22.4
   75   2   2  -3 21.951  43.901   0.209   11.72    4        0.8        0.0
   76   0   2   3 22.017  44.035   0.21    11.64    4       78.6       31.0
   77   4   2  -1 22.019  44.037   0.21    11.64    4       39.6        7.9
   78   4   1   2 22.141  44.282   0.211   11.5     4       20.4        2.1
   79   4   2   0 22.426  44.852   0.213   11.17    4       53.9       14.0
   80   5   1  -3 22.572  45.144   0.215   11.01    4       46.7       10.3
   81   6   0  -2 22.752  45.503   0.216   10.81    2      113.3       29.9
   82   4   2  -2 22.787  45.574   0.217   10.77    4       71.8       23.9
   83   3   1   3 22.832  45.664   0.217   10.73    4       40.5        7.6
   84   5   1   1 22.833  45.667   0.217   10.72    4       77.6       27.8
   85   1   1   4 22.856  45.712   0.217   10.7     4       30.9        4.4
   86   3   2  -3 22.981  45.963   0.218   10.57    4       42.7        8.3
   87   1   2   3 23.11   46.22    0.219   10.44    4       10.7        0.5
   88   4   1  -4 23.221  46.442   0.22    10.32    4        1.0        0.0
   89   2   0   4 23.363  46.726   0.222   10.18    2       67.6       10.0
   90   6   0   0 23.365  46.731   0.222   10.18    2       57.2        7.2
   91   3   2   2 23.741  47.481   0.225    9.82    4       12.1        0.6
   92   5   0  -4 23.864  47.728   0.226    9.7     2       65.6        9.0
   93   4   2   1 23.962  47.923   0.227    9.61    4       18.4        1.4
   94   6   1  -1 23.976  47.952   0.227    9.6     4        3.8        0.1
   95   6   1  -2 24.233  48.467   0.229    9.37    4       68.2       18.8
   96   5   0   2 24.239  48.479   0.229    9.37    2       47.0        4.5
   97   4   2  -3 24.644  49.289   0.233    9.02    4       39.0        5.9
   98   1   3   0 24.694  49.388   0.234    8.98    4       18.6        1.3
   99   2   1   4 24.817  49.634   0.235    8.88    4       10.0        0.4
  100   6   1   0 24.819  49.638   0.235    8.88    4       28.9        3.2
  101   2   2   3 24.827  49.655   0.235    8.87    4        7.6        0.2
  102   5   2  -1 24.867  49.734   0.235    8.84    4       10.0        0.4
  103   0   3   1 24.908  49.816   0.235    8.8     4       11.8        0.5
  104   1   3  -1 25.007  50.014   0.236    8.72    4       56.1       11.8
  105   5   1  -4 25.296  50.593   0.239    8.5     4       23.1        2.0
  106   1   2  -4 25.343  50.685   0.239    8.46    4        4.5        0.1
  107   5   2  -2 25.344  50.688   0.239    8.46    4       27.5        2.8
  108   2   2  -4 25.41   50.821   0.24     8.41    4       43.2        6.8
  109   1   3   1 25.46   50.919   0.24     8.38    4       91.0       29.9
  110   5   2   0 25.464  50.929   0.24     8.37    4        8.8        0.3
  111   2   1  -5 25.565  51.13    0.241    8.3     4       12.1        0.5
  112   6   1  -3 25.567  51.134   0.241    8.3     4        1.4        0.0
  113   5   1   2 25.656  51.312   0.242    8.23    4        0.9        0.0
  114   2   3   0 25.669  51.339   0.242    8.22    4       31.8        3.6
  115   1   1  -5 25.721  51.443   0.243    8.18    4       81.8       23.6
  116   2   3  -1 25.751  51.502   0.243    8.16    4        5.8        0.1
  117   4   1   3 25.863  51.727   0.244    8.08    4       28.1        2.7
  118   0   2   4 25.917  51.834   0.244    8.04    4       49.0        8.3
  119   3   0   4 25.936  51.872   0.244    8.03    2       33.2        1.9
  120   3   1  -5 26.048  52.096   0.245    7.95    4       77.8       20.8
  121   3   2  -4 26.117  52.234   0.246    7.9     4       14.8        0.7
  122   1   3  -2 26.37   52.741   0.248    7.73    4       89.4       26.6
  123   4   2   2 26.476  52.953   0.249    7.66    4      115.0       43.7
  124   0   3   2 26.494  52.989   0.249    7.65    4        1.1        0.0
  125   0   1   5 26.509  53.018   0.25     7.64    4       86.1       24.4
  126   6   0  -4 26.533  53.065   0.25     7.62    2      115.5       21.9
  127   7   0  -2 26.584  53.169   0.25     7.59    2       41.3        2.8
  128   2   3   1 26.633  53.266   0.251    7.56    4       41.3        5.6
  129   6   1   1 26.686  53.372   0.251    7.52    4       42.2        5.8
  130   5   2  -3 26.854  53.709   0.253    7.42    4        3.7        0.0
  131   2   3  -2 26.872  53.744   0.253    7.41    4       48.3        7.5
  132   3   2   3 27.084  54.167   0.255    7.28    4        7.1        0.2
  133   5   2   1 27.085  54.17    0.255    7.27    4       35.7        4.0
  134   3   3  -1 27.103  54.205   0.255    7.26    4      174.3       95.2
  135   1   2   4 27.105  54.21    0.255    7.26    4       40.3        5.1
  136   4   1  -5 27.146  54.292   0.255    7.24    4       28.6        2.5
  137   1   3   2 27.238  54.476   0.256    7.18    4        8.5        0.2
  138   3   3   0 27.239  54.477   0.256    7.18    4        9.5        0.3
  139   3   1   4 27.289  54.578   0.256    7.15    4       34.9        3.7
  140   4   2  -4 27.427  54.855   0.257    7.07    4       74.7       17.0
  141   7   0   0 27.561  55.122   0.259    6.99    2       40.6        2.5
  142   6   1  -4 27.865  55.73    0.261    6.82    4       43.9        5.7
  143   1   1   5 27.891  55.782   0.261    6.81    4      108.0       34.2
  144   7   1  -1 27.894  55.788   0.262    6.8     4       87.9       22.7
  145   7   1  -2 27.915  55.83    0.262    6.79    4       34.7        3.5
  146   3   3  -2 27.976  55.951   0.262    6.76    4        4.5        0.1
  147   6   2  -1 28.099  56.199   0.263    6.69    4       34.0        3.3
  148   6   0   2 28.159  56.318   0.264    6.66    2       80.5        9.3
  149   6   2  -2 28.33   56.66    0.265    6.57    4      102.0       29.4
  150   3   3   1 28.374  56.748   0.266    6.55    4      115.7       37.8
  151   2   3   2 28.568  57.137   0.267    6.45    4       29.5        2.4
  152   1   3  -3 28.679  57.358   0.268    6.39    4       67.6       12.6
  153   5   1  -5 28.812  57.624   0.269    6.32    4       93.1       23.6
  154   2   2   4 28.854  57.708   0.27     6.3     4      129.1       45.3
  155   6   2   0 28.856  57.712   0.27     6.3     4       86.9       20.5
  156   7   1   0 28.861  57.723   0.27     6.3     4       50.5        6.9
  157   7   1  -3 28.923  57.847   0.27     6.27    4      104.6       29.5
  158   4   0   4 28.934  57.868   0.27     6.26    2       96.5       12.6
  159   2   3  -3 28.948  57.896   0.271    6.26    4        6.2        0.1
  160   0   3   3 29.003  58.005   0.271    6.23    4       15.3        0.6
  161   4   3  -1 29.004  58.007   0.271    6.23    4        8.6        0.2
  162   5   1   3 29.251  58.501   0.273    6.11    4       95.6       24.1
  163   5   2  -4 29.287  58.575   0.273    6.09    4        0.3        0.0
  164   4   3   0 29.339  58.677   0.274    6.07    4       24.5        1.6
  165   2   0  -6 29.371  58.743   0.274    6.05    2      110.1       15.8
  166   6   1   2 29.442  58.884   0.275    6.02    4       20.0        1.0
  167   2   2  -5 29.531  59.062   0.276    5.98    4        2.0        0.0
  168   6   2  -3 29.533  59.066   0.276    5.98    4       23.3        1.4
  169   3   0  -6 29.609  59.219   0.276    5.95    2      126.6       20.5
  170   7   0  -4 29.612  59.224   0.276    5.94    2       59.3        4.5
  171   5   2   2 29.614  59.227   0.276    5.94    4       10.2        0.3
  172   4   3  -2 29.637  59.275   0.276    5.93    4        9.7        0.2
  173   1   2  -5 29.673  59.346   0.277    5.92    4        9.5        0.2
  174   1   0  -6 29.717  59.434   0.277    5.9     2       38.4        1.9
  175   3   3  -3 29.799  59.599   0.278    5.86    4       78.6       15.6
  176   4   2   3 29.802  59.604   0.278    5.86    4       23.6        1.4
  177   2   1   5 29.813  59.625   0.278    5.86    4       52.9        7.1
  178   1   3   3 29.907  59.813   0.279    5.81    4       70.0       12.3
  179   3   2  -5 29.97   59.941   0.279    5.79    4        5.3        0.1
  180   4   1   4 30.196  60.393   0.281    5.69    4       19.3        0.9
  181   0   2   5 30.392  60.783   0.283    5.61    4       18.8        0.9
  182   4   0  -6 30.423  60.845   0.283    5.6     2       95.2       10.9
  183   3   3   2 30.436  60.872   0.283    5.59    4       19.4        0.9
  184   6   2   1 30.554  61.107   0.284    5.54    4       18.0        0.8
  185   2   1  -6 30.622  61.245   0.285    5.52    4        2.1        0.0
  186   4   3   1 30.623  61.246   0.285    5.51    4       69.1       11.4
  187   0   0   6 30.635  61.269   0.285    5.51    2       59.0        4.1
  188   8   0  -2 30.638  61.277   0.285    5.51    2       20.9        0.5
  189   7   1   1 30.758  61.515   0.286    5.46    4      113.1       30.1
  190   3   1  -6 30.855  61.709   0.287    5.42    4       24.3        1.4
  191   7   1  -4 30.857  61.714   0.287    5.42    4        3.6        0.0
  192   1   1  -6 30.96   61.919   0.288    5.38    4        7.1        0.1
  193   4   2  -5 30.976  61.952   0.288    5.38    4       15.3        0.5
  194   6   1  -5 30.988  61.976   0.288    5.37    4       14.7        0.5
  195   3   2   4 31.107  62.215   0.289    5.33    4       31.7        2.3
  196   4   3  -3 31.204  62.408   0.29     5.29    4        7.8        0.1
  197   2   3   3 31.361  62.721   0.291    5.23    4       16.5        0.6
  198   5   3  -1 31.395  62.789   0.291    5.22    4       36.3        3.0
  199   6   2  -4 31.639  63.279   0.293    5.13    4      124.6       34.3
  200   4   1  -6 31.649  63.298   0.293    5.13    4       12.4        0.3
  201   1   2   5 31.663  63.327   0.293    5.12    4       23.0        1.2
  202   7   2  -1 31.666  63.333   0.293    5.12    4       31.4        2.2
  203   7   2  -2 31.686  63.372   0.294    5.12    4       15.8        0.6
  204   5   0  -6 31.785  63.571   0.294    5.08    2       31.5        1.1
  205   1   3  -4 31.804  63.608   0.295    5.07    4       18.0        0.7
  206   5   3  -2 31.805  63.611   0.295    5.07    4       46.5        4.7
  207   0   1   6 31.856  63.712   0.295    5.06    4        5.9        0.1
  208   8   1  -2 31.86   63.72    0.295    5.05    4       14.8        0.5
  209   2   3  -4 31.863  63.725   0.295    5.05    4       23.5        1.2
  210   5   3   0 31.909  63.818   0.295    5.04    4       21.0        1.0
  211   8   0   0 31.924  63.848   0.296    5.03    2      118.1       15.1
  212   8   1  -1 32.035  64.07    0.297    4.99    4       30.6        2.0
  213   1   0   6 32.095  64.19    0.297    4.97    2       39.6        1.7
  214   3   1   5 32.219  64.438   0.298    4.93    4      117.5       29.4
  215   0   3   4 32.302  64.604   0.299    4.9     4       10.8        0.2
  216   5   0   4 32.303  64.606   0.299    4.9     2       18.9        0.4
  217   7   0   2 32.304  64.609   0.299    4.9     2        9.8        0.1
  218   3   3  -4 32.476  64.953   0.3      4.85    4        1.9        0.0
  219   5   2  -5 32.518  65.037   0.3      4.83    4        2.2        0.0
  220   7   2   0 32.565  65.129   0.301    4.82    4       69.7       10.1
  221   8   1  -3 32.602  65.203   0.301    4.81    4       18.1        0.7
  222   7   2  -3 32.622  65.245   0.301    4.8     4        4.1        0.0
  223   4   3   2 32.791  65.581   0.303    4.75    4       59.4        7.2
  224   5   2   3 32.928  65.856   0.304    4.71    4       32.9        2.2
  225   6   1   3 32.958  65.916   0.304    4.7     4       20.2        0.8
  226   5   1  -6 32.983  65.966   0.304    4.69    4       22.2        1.0
  227   8   0  -4 33.055  66.109   0.305    4.67    2       87.4        7.7
  228   6   2   2 33.107  66.214   0.305    4.65    4       40.7        3.3
  229   8   1   0 33.119  66.238   0.305    4.65    4       13.5        0.4
  230   5   3  -3 33.123  66.246   0.305    4.65    4       71.7       10.3
  231   1   1   6 33.287  66.573   0.307    4.6     4        9.1        0.2
  232   3   3   3 33.325  66.65    0.307    4.59    4       29.6        1.7
  233   5   3   1 33.326  66.652   0.307    4.59    4       84.6       14.2
  234   1   3   4 33.344  66.687   0.307    4.58    4       44.4        3.9
  235   0   4   0 33.368  66.736   0.307    4.58    2      134.7       17.9
  236   2   2   5 33.454  66.908   0.308    4.55    4       27.9        1.5
  237   5   1   4 33.491  66.981   0.308    4.54    4       21.2        0.9
  238   7   1   2 33.492  66.984   0.308    4.54    4       24.2        1.1
  239   7   1  -5 33.625  67.25    0.31     4.5     4       96.8       18.2
  240   4   3  -4 33.629  67.258   0.31     4.5     4       21.2        0.9
  241   1   4   0 33.64   67.28    0.31     4.5     4        2.8        0.0
  242   6   0  -6 33.661  67.323   0.31     4.49    2       15.5        0.2
  243   4   2   4 33.814  67.628   0.311    4.45    4       50.2        4.8
  244   0   4   1 33.816  67.633   0.311    4.45    4       16.2        0.5
  245   1   4  -1 33.898  67.796   0.312    4.43    4       33.8        2.2
  246   2   0   6 34.062  68.124   0.313    4.38    2        1.5        0.0
  247   2   2  -6 34.215  68.431   0.314    4.34    4       90.5       15.3
  248   6   3  -1 34.227  68.454   0.314    4.34    4        6.4        0.1
  249   8   1  -4 34.229  68.458   0.314    4.34    4        8.2        0.1
  250   1   4   1 34.274  68.549   0.315    4.33    4       28.0        1.5
  251   7   2   1 34.343  68.686   0.315    4.31    4       28.7        1.5
  252   6   3  -2 34.433  68.867   0.316    4.28    4       19.2        0.7
  253   3   2  -6 34.434  68.869   0.316    4.28    4        8.4        0.1
  254   7   2  -4 34.437  68.873   0.316    4.28    4       47.8        4.2
  255   2   4   0 34.449  68.899   0.316    4.28    4       48.8        4.4
  256   2   4  -1 34.518  69.036   0.317    4.26    4        2.9        0.0
  257   1   2  -6 34.534  69.067   0.317    4.26    4       30.5        1.7
  258   6   2  -5 34.561  69.121   0.317    4.25    4       12.2        0.3
  259   6   1  -6 34.826  69.652   0.319    4.19    4       21.9        0.9
  260   2   3   4 34.904  69.809   0.32     4.17    4       10.0        0.2
  261   6   3   0 34.906  69.812   0.32     4.17    4       42.3        3.2
  262   9   0  -2 34.933  69.866   0.32     4.16    2       12.6        0.1
  263   1   4  -2 35.04   70.079   0.321    4.14    4       39.1        2.7
  264   4   1   5 35.066  70.132   0.321    4.13    4        4.6        0.0
  265   8   1   1 35.069  70.138   0.321    4.13    4        4.6        0.0
  266   0   4   2 35.145  70.289   0.322    4.11    4       38.3        2.6
  267   4   2  -6 35.186  70.372   0.322    4.1     4       84.4       12.6
  268   2   1   6 35.22   70.44    0.322    4.09    4       22.7        0.9
  269   2   4   1 35.262  70.525   0.323    4.08    4        8.2        0.1
  270   5   3  -4 35.295  70.591   0.323    4.08    4        1.4        0.0
  271   0   2   6 35.383  70.765   0.324    4.06    4      141.3       34.9
  272   8   2  -2 35.386  70.773   0.324    4.05    4       20.9        0.8
  273   2   4  -2 35.466  70.932   0.324    4.04    4       90.3       14.2
  274   2   3  -5 35.516  71.032   0.325    4.03    4       12.0        0.3
  275   6   3  -3 35.518  71.036   0.325    4.02    4       23.9        1.0
  276   8   2  -1 35.553  71.105   0.325    4.02    4       30.4        1.6
  277   5   3   2 35.591  71.182   0.325    4.01    4       20.8        0.7
  278   1   3  -5 35.645  71.29    0.326    4.0     4       78.6       10.6
  279   3   4  -1 35.663  71.326   0.326    3.99    4       33.8        2.0
  280   3   2   5 35.728  71.455   0.326    3.98    4       20.4        0.7
  281   4   3   3 35.762  71.525   0.327    3.97    4       58.7        5.9
  282   1   4   2 35.779  71.558   0.327    3.97    4       70.6        8.5
  283   3   4   0 35.78   71.559   0.327    3.97    4       39.5        2.7
  284   3   3  -5 35.915  71.831   0.328    3.94    4       56.1        5.3
  285   7   0  -6 36.015  72.03    0.329    3.92    2       55.8        2.6
  286   6   0   4 36.02   72.04    0.329    3.92    2       38.3        1.2
  287   9   1  -2 36.079  72.157   0.329    3.9     4       40.0        2.7
  288   8   2  -3 36.092  72.184   0.329    3.9     4       32.5        1.8
  289   2   1  -7 36.099  72.198   0.329    3.9     4        5.9        0.1
  290   3   1  -7 36.13   72.259   0.33     3.89    4      119.1       23.8
  291   0   3   5 36.3    72.6     0.331    3.86    4       48.3        3.9
  292   3   4  -2 36.415  72.831   0.332    3.83    4       16.7        0.5
  293   9   1  -1 36.426  72.853   0.332    3.83    4       41.3        2.8
  294   6   2   3 36.432  72.864   0.332    3.83    4       12.3        0.3
  295   6   3   1 36.448  72.896   0.332    3.83    4       47.7        3.8
  296   5   2  -6 36.456  72.912   0.332    3.83    4       27.7        1.3
  297   3   0   6 36.501  73.002   0.333    3.82    2        5.3        0.0
  298   9   0   0 36.505  73.01    0.333    3.82    2       79.1        5.1
  299   8   2   0 36.586  73.172   0.333    3.8     4       96.3       15.2
  300   1   1  -7 36.592  73.185   0.333    3.8     4       12.3        0.2
  301   9   1  -3 36.597  73.194   0.333    3.8     4      124.9       25.5
  302   4   1  -7 36.685  73.369   0.334    3.78    4       42.9        3.0
  303   8   1  -5 36.687  73.374   0.334    3.78    4       38.2        2.4
  304   8   0   2 36.705  73.409   0.334    3.78    2       88.5        6.4
  305   1   2   6 36.747  73.493   0.334    3.77    4       23.0        0.9
  306   3   4   1 36.762  73.524   0.335    3.77    4       19.8        0.6
  307   4   3  -5 36.836  73.672   0.335    3.75    4       37.6        2.3
  308   9   0  -4 36.845  73.69    0.335    3.75    2       59.0        2.8
  309   2   4   2 36.931  73.863   0.336    3.73    4       70.5        8.0
  310   5   2   4 36.942  73.884   0.336    3.73    4        9.1        0.1
  311   7   2   2 36.943  73.886   0.336    3.73    4       12.6        0.3
  312   3   3   4 36.957  73.914   0.336    3.73    4       19.8        0.6
  313   7   1   3 36.983  73.967   0.336    3.72    4       51.8        4.3
  314   1   4  -3 37.028  74.056   0.337    3.71    4       19.2        0.6
  315   7   2  -5 37.071  74.141   0.337    3.71    4       10.8        0.2
  316   7   1  -6 37.147  74.294   0.338    3.69    4       65.2        6.8
  317   6   1   4 37.152  74.304   0.338    3.69    4       51.0        4.1
  318   2   4  -3 37.264  74.528   0.338    3.67    4       17.6        0.5
  319   0   4   3 37.312  74.625   0.339    3.66    4       16.2        0.4
  320   4   4  -1 37.313  74.626   0.339    3.66    4       36.6        2.1
  321   6   3  -4 37.448  74.896   0.34     3.64    4       22.1        0.8
  322   1   3   5 37.47   74.94    0.34     3.63    4       70.0        7.7
  323   7   3  -1 37.473  74.945   0.34     3.63    4       46.1        3.3
  324   7   3  -2 37.491  74.982   0.34     3.63    4       12.1        0.2
  325   0   1   7 37.603  75.205   0.341    3.61    4       18.3        0.5
  326   4   4   0 37.609  75.217   0.341    3.61    4      107.0       17.8
  327   3   1   6 37.627  75.254   0.341    3.61    4        6.0        0.1
  328   9   1   0 37.631  75.262   0.341    3.61    4        7.7        0.1
  329   8   2  -4 37.651  75.301   0.341    3.6     4       87.6       11.9
  330   5   1  -7 37.755  75.509   0.342    3.59    4       33.2        1.7
  331   8   1   2 37.829  75.657   0.343    3.57    4       13.8        0.3
  332   4   4  -2 37.873  75.746   0.343    3.57    4       61.2        5.8
  333   9   1  -4 37.968  75.936   0.344    3.55    4       27.0        1.1
  334   3   4  -3 38.017  76.033   0.344    3.54    4       27.2        1.1
  335   1   4   3 38.112  76.224   0.345    3.53    4        1.3        0.0
  336   6   2  -6 38.225  76.45    0.346    3.51    4       23.8        0.9
  337   5   3  -5 38.264  76.528   0.346    3.5     4       65.0        6.4
  338   7   3   0 38.307  76.615   0.347    3.49    4       14.3        0.3
  339   5   1   5 38.33   76.66    0.347    3.49    4       21.7        0.7
  340   7   3  -3 38.361  76.722   0.347    3.49    4       21.6        0.7
  341   4   2   5 38.457  76.914   0.348    3.47    4       29.7        1.3
  342   8   2   1 38.46   76.92    0.348    3.47    4       17.4        0.5
  343   3   4   2 38.585  77.17    0.349    3.45    4       21.7        0.7
  344   2   2   6 38.606  77.212   0.349    3.45    4       21.6        0.7
  345   5   3   3 38.646  77.293   0.349    3.44    4       82.4       10.1
  346   4   4   1 38.753  77.505   0.35     3.43    4        8.0        0.1
  347   6   3   2 38.814  77.628   0.35     3.42    4       19.3        0.5
  348   8   0  -6 38.821  77.642   0.35     3.42    2       55.0        2.2
  349   1   1   7 39.116  78.232   0.353    3.37    4       99.4       14.4
  350   2   3   5 39.14   78.279   0.353    3.37    4       11.8        0.2
  351   4   4  -3 39.276  78.552   0.354    3.35    4       13.3        0.3
  352   6   1  -7 39.326  78.652   0.354    3.34    4       16.4        0.4
  353   4   0   6 39.389  78.778   0.355    3.33    2      117.0        9.8
  354   2   4   3 39.418  78.836   0.355    3.33    4       36.7        1.9
  355   9   2  -2 39.437  78.874   0.355    3.33    4        4.7        0.0
  356   5   4  -1 39.449  78.897   0.355    3.33    4       29.7        1.3
  357   2   2  -7 39.457  78.913   0.355    3.33    4        8.6        0.1
  358   4   3   4 39.479  78.957   0.355    3.32    4       38.4        2.1
  359   3   2  -7 39.487  78.973   0.355    3.32    4       24.9        0.9
  360  10   0  -2 39.512  79.025   0.356    3.32    2       58.4        2.4
  361   9   1   1 39.666  79.332   0.357    3.3     4       65.5        6.1
  362   9   2  -1 39.775  79.55    0.358    3.28    4       37.6        2.0
  363   1   4  -4 39.821  79.641   0.358    3.28    4        4.2        0.0
  364   5   4  -2 39.822  79.644   0.358    3.28    4        2.0        0.0
  365   2   3  -6 39.857  79.714   0.358    3.27    4       37.7        2.0
  366   2   4  -4 39.874  79.748   0.358    3.27    4       47.0        3.1
  367   5   4   0 39.917  79.833   0.359    3.27    4       45.5        2.9
  368   8   1  -6 39.926  79.851   0.359    3.26    4       23.9        0.8
  369   1   2  -7 39.936  79.872   0.359    3.26    4       40.8        2.3
  370   9   2  -3 39.941  79.881   0.359    3.26    4       39.4        2.2
  371   7   3   1 39.978  79.956   0.359    3.26    4       62.3        5.5
  372   4   2  -7 40.026  80.051   0.36     3.25    4       13.7        0.3
  373   8   2  -5 40.028  80.057   0.36     3.25    4       40.1        2.2
  374   3   3  -6 40.064  80.129   0.36     3.25    4       23.2        0.8
  375   7   3  -4 40.067  80.133   0.36     3.25    4       15.7        0.3
  376   7   0   4 40.095  80.191   0.36     3.24    2        4.8        0.0
  377   1   3  -6 40.158  80.317   0.36     3.24    4       55.0        4.2
  378   9   1  -5 40.163  80.326   0.361    3.23    4       75.5        8.0
  379   6   3  -5 40.184  80.368   0.361    3.23    4       46.3        3.0
  380   0   4   4 40.276  80.551   0.361    3.22    4       52.6        3.8
  381   7   2   3 40.317  80.633   0.362    3.22    4       22.2        0.7
  382   3   4  -4 40.435  80.871   0.363    3.2     4       15.5        0.3
  383   7   2  -6 40.476  80.952   0.363    3.2     4        5.0        0.0
  384   6   2   4 40.481  80.962   0.363    3.2     4       55.0        4.2
  385   4   1   6 40.49   80.979   0.363    3.2     4       38.0        2.0
  386  10   1  -2 40.612  81.224   0.364    3.18    4       36.2        1.8
  387   4   4   2 40.724  81.448   0.365    3.17    4       69.9        6.7
  388   4   3  -6 40.778  81.556   0.365    3.16    4       35.2        1.7
  389   3   0  -8 40.848  81.696   0.366    3.15    2       21.4        0.3
  390   0   2   7 40.921  81.841   0.366    3.15    4       48.1        3.1
  391  10   1  -3 40.936  81.872   0.366    3.15    4       27.4        1.0
  392   3   2   6 40.945  81.889   0.366    3.14    4       38.4        2.0
  393   9   2   0 40.949  81.897   0.366    3.14    4       39.2        2.1
  394   0   3   6 40.965  81.931   0.366    3.14    4       14.8        0.3
  395   8   3  -2 40.969  81.938   0.367    3.14    4       28.6        1.1
  396   2   0  -8 40.995  81.989   0.367    3.14    2       73.2        3.6
  397  10   0  -4 41.0    81.999   0.367    3.14    2        7.1        0.0
  398   5   4  -3 41.031  82.061   0.367    3.13    4       10.9        0.2
  399   5   2  -7 41.069  82.138   0.367    3.13    4       13.6        0.3
  400   2   1   7 41.119  82.237   0.368    3.13    4       13.9        0.3
  401  10   1  -1 41.124  82.247   0.368    3.12    4       38.3        2.0
  402   8   3  -1 41.128  82.255   0.368    3.12    4       28.6        1.1
  403   8   2   2 41.142  82.283   0.368    3.12    4       93.9       11.9
  404   7   1   4 41.191  82.383   0.368    3.12    4       28.1        1.1
  405   4   0  -8 41.207  82.413   0.368    3.12    2       23.7        0.4
  406   3   4   3 41.218  82.435   0.368    3.11    4       10.0        0.1
  407   5   4   1 41.219  82.437   0.368    3.11    4       25.2        0.9
  408   1   4   4 41.235  82.47    0.368    3.11    4       24.7        0.8
  409   9   2  -4 41.278  82.555   0.369    3.11    4       18.8        0.5
  410   3   3   5 41.295  82.59    0.369    3.11    4       86.9       10.1
  411   8   1   3 41.357  82.713   0.369    3.1     4        6.7        0.1
  412  10   0   0 41.375  82.751   0.369    3.1     2       49.4        1.6
  413   7   1  -7 41.385  82.771   0.37     3.1     4       64.8        5.6
  414   9   0   2 41.415  82.831   0.37     3.09    2       19.9        0.3
  415   4   4  -4 41.5    83.0     0.37     3.09    4      103.0       14.1
  416   5   2   5 41.632  83.264   0.371    3.07    4       28.1        1.0
  417   8   3  -3 41.644  83.288   0.371    3.07    4       14.5        0.3
  418   1   0  -8 41.646  83.292   0.371    3.07    2       25.4        0.4
  419   3   1  -8 41.94   83.88    0.374    3.04    4        1.8        0.0
  420   6   3   3 41.97   83.941   0.374    3.04    4       17.8        0.4
  421   5   3  -6 41.993  83.986   0.374    3.04    4        9.2        0.1
  422   6   1   5 42.011  84.023   0.374    3.04    4       34.1        1.5
  423   6   4  -1 42.057  84.115   0.374    3.03    4       42.1        2.3
  424   5   0  -8 42.069  84.138   0.375    3.03    2       20.8        0.3
  425   9   0  -6 42.072  84.144   0.375    3.03    2        6.6        0.0
  426   2   1  -8 42.086  84.172   0.375    3.03    4        4.0        0.0
  427  10   1  -4 42.091  84.182   0.375    3.03    4        6.2        0.0
  428   8   3   0 42.118  84.236   0.375    3.03    4       27.9        1.0
  429   6   4  -2 42.25   84.501   0.376    3.02    4       99.6       12.9
  430   1   3   6 42.273  84.545   0.376    3.01    4        0.1        0.0
  431   4   1  -8 42.297  84.594   0.376    3.01    4       41.0        2.2
  432   1   2   7 42.404  84.807   0.377    3.0     4       28.2        1.0
  433   5   3   4 42.461  84.922   0.377    3.0     4       14.1        0.3
  434   7   3   2 42.462  84.924   0.377    3.0     4       33.6        1.5
  435  10   1   0 42.465  84.93    0.377    3.0     4        0.7        0.0
  436   9   1   2 42.505  85.01    0.378    2.99    4       53.1        3.6
  437   7   3  -5 42.585  85.17    0.378    2.99    4       77.6        7.7
  438   6   2  -7 42.61   85.22    0.378    2.99    4        9.4        0.1
  439   2   4   4 42.693  85.385   0.379    2.98    4       73.9        7.0
  440   6   4   0 42.694  85.389   0.379    2.98    4       25.8        0.9
  441   5   0   6 42.723  85.446   0.379    2.98    2        9.7        0.1
  442   1   1  -8 42.734  85.469   0.379    2.97    4        1.9        0.0
  443   0   0   8 42.798  85.596   0.38     2.97    2       28.6        0.5
  444   9   2   1 42.945  85.89    0.381    2.96    4        5.7        0.0
  445   5   4  -4 43.062  86.123   0.382    2.95    4       53.2        3.6
  446   8   3  -4 43.146  86.292   0.382    2.94    4       13.2        0.2
  447   5   1  -8 43.156  86.312   0.382    2.94    4        1.5        0.0
  448   9   1  -6 43.159  86.318   0.382    2.94    4       24.0        0.7
  449   8   2  -6 43.201  86.402   0.383    2.94    4       61.7        4.8
  450   2   4  -5 43.27   86.541   0.383    2.93    4       15.3        0.3
  451   6   4  -3 43.272  86.544   0.383    2.93    4        0.2        0.0
  452   5   4   2 43.341  86.683   0.384    2.93    4       19.3        0.5
  453   1   4  -5 43.393  86.785   0.384    2.92    4        9.5        0.1
  454   6   0  -8 43.43   86.86    0.384    2.92    2      117.5        8.7
  455   9   2  -5 43.435  86.87    0.384    2.92    4        6.8        0.1
  456   4   4   3 43.504  87.008   0.385    2.92    4        1.9        0.0
  457   3   1   7 43.604  87.208   0.386    2.91    4       44.9        2.5
  458   3   4  -5 43.649  87.299   0.386    2.91    4        5.4        0.0
  459   1   5   0 43.685  87.369   0.386    2.9     4       47.8        2.9
  460   6   3  -6 43.704  87.409   0.386    2.9     4        5.0        0.0
  461   4   2   6 43.758  87.516   0.387    2.9     4      127.7       20.4
  462   5   1   6 43.809  87.617   0.387    2.9     4        9.3        0.1
  463   0   5   1 43.848  87.695   0.387    2.89    4       18.9        0.4
  464  10   2  -2 43.879  87.758   0.387    2.89    4       93.3       10.8
  465   0   1   8 43.883  87.766   0.387    2.89    4        2.9        0.0
  466   1   5  -1 43.923  87.847   0.388    2.89    4       14.5        0.3
  467   8   1  -7 43.927  87.855   0.388    2.89    4       41.0        2.1
  468   4   3   5 43.93   87.86    0.388    2.89    4        2.9        0.0
  469   8   3   1 43.933  87.866   0.388    2.89    4        4.4        0.0
  470   0   4   5 44.016  88.032   0.388    2.88    4       48.3        2.9
  471  10   1  -5 44.069  88.138   0.389    2.88    4       12.2        0.2
  472   2   3   6 44.075  88.15    0.389    2.88    4       18.9        0.4
  473   6   4   1 44.158  88.315   0.389    2.87    4        2.5        0.0
  474  10   2  -3 44.199  88.398   0.39     2.87    4        9.0        0.1
  475   1   5   1 44.273  88.546   0.39     2.87    4       28.9        1.0
  476   2   2   7 44.38   88.761   0.391    2.86    4       10.7        0.1
  477  10   2  -1 44.385  88.771   0.391    2.86    4        8.7        0.1
  478   2   5   0 44.436  88.872   0.391    2.86    4       42.7        2.2
  479   1   0   8 44.447  88.894   0.391    2.86    2       15.5        0.1
  480   7   2   4 44.452  88.905   0.391    2.86    4       11.0        0.1
  481  11   0  -2 44.454  88.907   0.391    2.86    2       45.0        1.2
  482   2   5  -1 44.5    89.0     0.392    2.85    4        9.3        0.1
  483   6   1  -8 44.514  89.028   0.392    2.85    4        9.5        0.1
  484   4   4  -5 44.529  89.058   0.392    2.85    4        1.1        0.0
  485   8   0   4 44.573  89.145   0.392    2.85    2        7.6        0.0
  486   8   2   3 44.616  89.233   0.393    2.85    4       22.2        0.6
  487  10   1   1 44.628  89.255   0.393    2.85    4       39.2        1.9
  488   7   2  -7 44.645  89.29    0.393    2.85    4       24.0        0.7
  489   3   4   4 44.645  89.29    0.393    2.85    4       40.0        2.0
  490   9   3  -2 44.889  89.777   0.395    2.83    4        6.5        0.1
  491   2   3  -7 44.908  89.816   0.395    2.83    4       16.6        0.3
  492   3   3  -7 44.937  89.874   0.395    2.83    4       59.3        4.3
  493   1   5  -2 44.989  89.978   0.395    2.83    4        0.6        0.0


  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   2   0   0   7.597  15.193  6.76606       31.5      4.3      4.3     5.6
    2   1   1   0   8.776  17.551  5.86279       14.9      2.0      2.0     5.6
    3   0   1   1   9.301  18.601  5.53448       57.8      7.9      7.9     5.6
    4   1   0  -2   9.479  18.959  5.43103       91.1     12.4     12.4     5.6
    5   1   1  -1   9.535  19.07   5.39956       21.4      2.9      2.9     5.6
    6   0   0   2   9.779  19.559  5.26607       42.7      5.8      5.8     5.6
    7   1   1   1  10.552  21.104  4.88431      735.4    100.0    100.0     5.6
    8   2   0  -2  10.647  21.294  4.84118      383.8     52.2     52.2     5.6
    9   1   0   2  11.436  22.873  4.51114       76.0     10.3     10.3     5.6
   10   2   1   1  12.88   25.761  4.01256       78.5     10.7     10.6     5.6
   11   3   1  -1  13.726  27.451  3.76973      422.7     57.5     57.2     5.6
   12   2   0   2  13.999  27.998  3.69762      130.3     17.7     17.6     5.6
   13   4   0   0  15.331  30.662  3.38303       41.3      5.6      5.6     5.6
   14   3   1   1  15.849  31.698  3.2752        32.7      4.4      4.4     5.6
   15   0   2   0  15.962  31.925  3.2525       168.0     22.8     22.6     5.6
   16   1   1  -3  16.329  32.658  3.18141      105.0     14.3     14.2     5.6
   17   2   1  -3  16.745  33.491  3.1045        64.8      8.8      8.7     5.7
   18   0   1   3  16.829  33.658  3.08949       15.1      2.0      2.0     5.7
   19   1   2  -1  16.864  33.729  3.08319        9.7      1.3      1.3     5.7
   20   3   0   2  17.1    34.199  3.04201       31.6      4.3      4.3     5.7
   21   4   1   0  17.338  34.677  3.0014        46.9      6.4      6.3     5.7
   22   4   1  -2  17.784  35.567  2.9286        35.5      4.8      4.8     5.7
   23   3   1  -3  18.022  36.043  2.89116       12.2      1.7      1.6     5.7
   24   1   1   3  18.179  36.357  2.86704        7.9      1.1      1.1     5.7
   25   1   2  -2  18.696  37.393  2.79038       45.1      6.1      6.0     5.7
   26   3   1   2  18.941  37.882  2.75559       28.6      3.9      3.8     5.7
   27   1   0  -4  19.147  38.294  2.72707       69.7      9.5      9.3     5.7
   28   4   1   1  19.206  38.411  2.71905       90.0     12.2     12.1     5.7
   29   2   2  -2  19.348  38.696  2.69978        9.0      1.2      1.2     5.7
   30   1   2   2  19.818  39.636  2.63827       87.6     11.9     11.7     5.7
   31   0   0   4  19.859  39.718  2.63304       34.8      4.7      4.7     5.7
   32   4   1  -3  20.016  40.032  2.61324       48.0      6.5      6.4     5.7
   33   3   0  -4  20.104  40.209  2.60219       14.2      1.9      1.9     5.7
   34   4   0   2  20.543  41.086  2.549         15.8      2.2      2.1     5.7
   35   3   2  -2  20.749  41.499  2.52471       10.9      1.5      1.5     5.7
   36   5   1  -2  20.835  41.67   2.51478       17.8      2.4      2.4     5.7
   37   5   1   0  20.975  41.95   2.49878       16.4      2.2      2.2     5.7
   38   3   2   1  21.245  42.491  2.46842       27.1      3.7      3.6     5.7
   39   1   0   4  21.301  42.601  2.4623        46.3      6.3      6.2     5.7
   40   2   2   2  21.485  42.97   2.44215        8.0      1.1      1.1     5.7
   41   4   0  -4  21.686  43.372  2.42059       23.1      3.1      3.1     5.7
   42   3   1  -4  21.729  43.458  2.41605       22.4      3.1      3.0     5.7
   43   0   2   3  22.017  44.035  2.38593       38.9      5.3      5.2     5.7
   44   4   2   0  22.426  44.852  2.34465       14.0      1.9      1.9     5.7
   45   5   1  -3  22.572  45.144  2.33028       10.3      1.4      1.4     5.7
   46   6   0  -2  22.752  45.503  2.31283       29.9      4.1      4.0     5.7
   47   4   2  -2  22.787  45.574  2.30945       23.9      3.3      3.2     5.7
   48   5   1   1  22.833  45.667  2.305         39.8      5.4      5.3     5.7
   49   3   2  -3  22.981  45.963  2.29096        8.3      1.1      1.1     5.7
   50   2   0   4  23.363  46.726  2.25557       17.2      2.3      2.3     5.7
   51   5   0  -4  23.864  47.728  2.21089        9.0      1.2      1.2     5.7
   52   6   1  -2  24.233  48.467  2.17918       23.3      3.2      3.1     5.7
   53   1   3  -1  25.007  50.014  2.11592       11.8      1.6      1.6     5.7
   54   1   3   1  25.46   50.919  2.08074       30.2      4.1      4.0     5.8
   55   1   1  -5  25.721  51.443  2.06099       23.6      3.2      3.1     5.8
   56   0   2   4  25.917  51.834  2.0465        10.2      1.4      1.4     5.8
   57   3   1  -5  26.048  52.096  2.03692       20.8      2.8      2.7     5.8
   58   1   3  -2  26.37   52.741  2.01377       26.6      3.6      3.5     5.8
   59   4   2   2  26.476  52.953  2.00628       43.7      5.9      5.8     5.8
   60   0   1   5  26.509  53.018  2.00398       46.4      6.3      6.1     5.8
   61   2   3  -2  26.872  53.744  1.97891        7.5      1.0      1.0     5.8
   62   1   2   4  27.105  54.21   1.96318      104.3     14.2     13.7     5.8
   63   4   2  -4  27.427  54.855  1.94184       17.0      2.3      2.2     5.8
   64   7   1  -1  27.894  55.788  1.9119        66.1      9.0      8.7     5.8
   65   6   0   2  28.159  56.318  1.89537        9.3      1.3      1.2     5.8
   66   6   2  -2  28.33   56.66   1.88487       29.4      4.0      3.9     5.8
   67   3   3   1  28.374  56.748  1.88217       37.8      5.1      5.0     5.8
   68   1   3  -3  28.679  57.358  1.86385       12.6      1.7      1.6     5.8
   69   5   1  -5  28.812  57.624  1.85598       23.6      3.2      3.1     5.8
   70   2   2   4  28.854  57.708  1.85349       72.7      9.9      9.5     5.8
   71   7   1  -3  28.923  57.847  1.84943       42.2      5.7      5.5     5.8
   72   5   1   3  29.251  58.501  1.83055       24.1      3.3      3.1     5.8
   73   2   0  -6  29.371  58.743  1.82369       15.8      2.1      2.1     5.8
   74   3   0  -6  29.609  59.219  1.81034       25.6      3.5      3.3     5.8
   75   3   3  -3  29.799  59.599  1.79985       24.1      3.3      3.1     5.8
   76   1   3   3  29.907  59.813  1.79399       12.3      1.7      1.6     5.8
   77   4   0  -6  30.423  60.845  1.76639       11.8      1.6      1.5     5.8
   78   4   3   1  30.623  61.246  1.75596       16.0      2.2      2.1     5.8
   79   7   1   1  30.758  61.515  1.74902       30.1      4.1      3.9     5.8
   80   6   2  -4  31.639  63.279  1.70512       38.0      5.2      4.9     5.9
   81   8   0   0  31.924  63.848  1.69151       15.1      2.1      2.0     5.9
   82   3   1   5  32.219  64.438  1.67767       29.4      4.0      3.8     5.9
   83   7   2   0  32.565  65.129  1.66179       10.1      1.4      1.3     5.9
   84   8   0  -4  33.055  66.109  1.6399         7.7      1.0      1.0     5.9
   85   5   3  -3  33.123  66.246  1.6369        14.0      1.9      1.8     5.9
   86   1   3   4  33.344  66.687  1.6273        37.7      5.1      4.9     5.9
   87   7   1  -5  33.625  67.25   1.61527       19.1      2.6      2.5     5.9
   88   2   2  -6  34.215  68.431  1.5907        15.5      2.1      2.0     5.9
   89   2   4   0  34.449  68.899  1.58122        8.6      1.2      1.1     5.9
   90   4   2  -6  35.186  70.372  1.55225       12.6      1.7      1.6     5.9
   91   0   2   6  35.383  70.765  1.54475       35.7      4.9      4.6     5.9
   92   2   4  -2  35.466  70.932  1.5416        14.2      1.9      1.8     5.9
   93   1   3  -5  35.645  71.29   1.53487       12.6      1.7      1.6     5.9
   94   1   4   2  35.779  71.558  1.52988       17.1      2.3      2.2     5.9
   95   3   1  -7  36.13   72.259  1.51702       23.8      3.2      3.0     5.9
   96   6   3   1  36.448  72.896  1.50558        8.1      1.1      1.0     6.0
   97   9   1  -3  36.597  73.194  1.50031       41.0      5.6      5.2     6.0
   98   8   0   2  36.705  73.409  1.49653       11.8      1.6      1.5     6.0
   99   2   4   2  36.931  73.863  1.48864        9.0      1.2      1.1     6.0
  100   7   1  -6  37.147  74.294  1.48123       10.9      1.5      1.4     6.0
  101   1   3   5  37.47   74.94   1.47031       11.2      1.5      1.4     6.0
  102   4   4   0  37.609  75.217  1.4657        18.0      2.4      2.3     6.0
  103   8   2  -4  37.651  75.301  1.4643        11.9      1.6      1.5     6.0
  104   5   3   3  38.646  77.293  1.43225       10.1      1.4      1.3     6.0
  105   1   1   7  39.116  78.232  1.41777       14.6      2.0      1.8     6.0
  106   4   0   6  39.389  78.778  1.40952       11.8      1.6      1.5     6.0
  107   5   4   0  39.917  79.833  1.39395        8.2      1.1      1.0     6.0
  108   9   1  -5  40.163  80.326  1.38684       15.2      2.1      1.9     6.0
  109   0   2   7  40.921  81.841  1.36556        8.2      1.1      1.0     6.1
  110   8   2   2  41.142  82.283  1.35952       14.9      2.0      1.9     6.1
  111   3   3   5  41.295  82.59   1.35538       10.1      1.4      1.3     6.1
  112   4   4  -4  41.5    83.0    1.34989       14.1      1.9      1.8     6.1
  113   6   4  -2  42.25   84.501  1.33031       12.9      1.8      1.6     6.1
  114   7   3  -5  42.585  85.17   1.32183        7.9      1.1      1.0     6.1
  115   2   4   4  42.693  85.385  1.31914        7.9      1.1      1.0     6.1
  116   6   0  -8  43.43   86.86   1.3011         8.7      1.2      1.1     6.1
  117   4   2   6  43.758  87.516  1.2933        20.4      2.8      2.5     6.2
  118  10   2  -2  43.879  87.758  1.29045       10.9      1.5      1.3     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)