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       ***
                  ***********************
AMICITE

1, f-zeolites, sf-thomsonite, ZL

K(4)Na(4)[Al(8)Si(8)O(32)].10H(2)O


Monoclinic  I 2  Z = 1

R =0.041          NR =1245

15 .5 .1990

Ref.Str.:

         A. Alberti, G. Vezzalini (1979)

         * Acta Cryst.., B 35, 2866-2869

                   Initial data from BDM-file 

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

             a =  10.226    alpha =   90.0 
             b =  10.422    beta  =   88.32
             c =   9.884    gamma =   90.0 

    Unit cell volume (cub. angs.) =  1052.94

    Molar volume ( cub.cm/mol.) =   634.22

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

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

   1 0.1523  0.9867  0.3261   0.46   Si    = 1.00
   2 0.1534  0.2615  0.8263   0.4    Si    = 1.00
   3 0.1546  0.2491  0.1546   0.43   Al    = 1.00
   4 0.1582  0.0027  0.6512   0.44   Al    = 1.00
   5 0.001   0.9529  0.3037   1.21   O     = 1.00
   6 0.997   0.2956  0.2047   1.14   O     = 1.00
   7 0.2031  0.1401  0.7354   0.96   O     = 1.00
   8 0.181   0.0304  0.4785   1.18   O     = 1.00
   9 0.1712  0.2264  0.9833   1.13   O     = 1.00
  10 0.1989  0.1018  0.2263   1.0    O     = 1.00
  11 0.262   0.361   0.2184   1.09   O     = 1.00
  12 0.7558  0.3812  0.2177   0.73   O     = 1.00
  13 0.4312  0.2559  0.6716   2.53   Na    = 1.00
  14 0.3071  0.996   0.9692   2.09   K     = 1.00
  15 0.3435  0.2507  0.4539   2.65   H(2)O = 1.00
  16 0.4779  0.0682  0.2179   2.76   H(2)O = 1.00
  17 0.0     0.3191  0.5      2.7    H(2)O = 1.00
  18 0.5     0.4729  0.5      2.35   H(2)O = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1523     0.9867     0.3261
     2       2     0.1534     0.2615     0.8263
     3       3     0.1546     0.2491     0.1546
     4       4     0.1582     0.0027     0.6512
     5       5     0.001      0.9529     0.3037
     6       6     0.997      0.2956     0.2047
     7       7     0.2031     0.1401     0.7354
     8       8     0.181      0.0304     0.4785
     9       9     0.1712     0.2264     0.9833
    10      10     0.1989     0.1018     0.2263
    11      11     0.262      0.361      0.2184
    12      12     0.7558     0.3812     0.2177
    13      13     0.4312     0.2559     0.6716
    14      14     0.3071     0.996      0.9692
    15      15     0.3435     0.2507     0.4539
    16      16     0.4779     0.0682     0.2179
    17      17     0.0        0.3191     0.5   
    18      18     0.5        0.4729     0.5   
    19       1     0.8477     0.9867     0.6739
    20       2     0.8466     0.2615     0.1737
    21       3     0.8454     0.2491     0.8454
    22       4     0.8418     0.0027     0.3488
    23       5     0.999      0.9529     0.6963
    24       6     0.003      0.2956     0.7953
    25       7     0.7969     0.1401     0.2646
    26       8     0.819      0.0304     0.5215
    27       9     0.8288     0.2264     0.0167
    28      10     0.8011     0.1018     0.7737
    29      11     0.738      0.361      0.7816
    30      12     0.2442     0.3812     0.7823
    31      13     0.5688     0.2559     0.3284
    32      14     0.6929     0.996      0.0308
    33      15     0.6565     0.2507     0.5461
    34      16     0.5221     0.0682     0.7821
    35       1     0.6523     0.4867     0.8261
    36       2     0.6534     0.7615     0.3263
    37       3     0.6546     0.7491     0.6546
    38       4     0.6582     0.5027     0.1512
    39       5     0.501      0.4529     0.8037
    40       6     0.497      0.7956     0.7047
    41       7     0.7031     0.6401     0.2354
    42       8     0.681      0.5304     0.9785
    43       9     0.6712     0.7264     0.4833
    44      10     0.6989     0.6018     0.7263
    45      11     0.762      0.861      0.7184
    46      12     0.2558     0.8812     0.7177
    47      13     0.9312     0.7559     0.1716
    48      14     0.8071     0.496      0.4692
    49      15     0.8435     0.7507     0.9539
    50      16     0.9779     0.5682     0.7179
    51      17     0.5        0.8191     0.0   
    52      18     0.0        0.9729     0.0   
    53       1     0.3477     0.4867     0.1739
    54       2     0.3466     0.7615     0.6737
    55       3     0.3454     0.7491     0.3454
    56       4     0.3418     0.5027     0.8488
    57       5     0.499      0.4529     0.1963
    58       6     0.503      0.7956     0.2953
    59       7     0.2969     0.6401     0.7646
    60       8     0.319      0.5304     0.0215
    61       9     0.3288     0.7264     0.5167
    62      10     0.3011     0.6018     0.2737
    63      11     0.238      0.861      0.2816
    64      12     0.7442     0.8812     0.2823
    65      13     0.0688     0.7559     0.8284
    66      14     0.1929     0.496      0.5308
    67      15     0.1565     0.7507     0.0461
    68      16     0.0221     0.5682     0.2821


X-ray density (g/cm cub.)   =      2.23

MU (1/cm) =      90.828    Mass attenuation coefficient (cm**2/g) =     40.657

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

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

    1    Si                  2.268        4
                                                 1.6084       5
                                                 1.6089       8
                                                 1.616       10
                                                 1.6294      11
    2    Si                  2.268        4
                                                 1.6247       7
                                                 1.6098       9
                                                 1.6165       6
                                                 1.6075      12
    3    Al                  2.484        4
                                                 1.7409       6
                                                 1.7131       9
                                                 1.7558      10
                                                 1.7334      11
    4    Al                  2.484        4
                                                 1.7252       7
                                                 1.7401       8
                                                 1.7538       5
                                                 1.7522      12
    5    O                   3.432        7
                                                 2.6855       8
                                                 2.6454      10
                                                 2.8912       7
                                                 2.9181       8
                                                 3.0093      18
                                                 2.6092      11
                                                 2.7444      12
    6    O                   3.432        8
                                                 2.8729       9
                                                 2.9006      10
                                                 2.8014      11
                                                 2.6225      12
                                                 2.9301      17
                                                 2.6633       7
                                                 2.6681       9
                                                 2.9554      16
    7    O                   3.432        8
                                                 2.7999       8
                                                 2.6215       9
                                                 3.3011      15
                                                 2.8912       5
                                                 2.6633       6
                                                 2.5917      12
                                                 3.3918      16
                                                 2.7561      12
    8    O                   3.432        7
                                                 2.6855       5
                                                 2.7999       7
                                                 2.6027      10
                                                 2.8405      15
                                                 2.9181       5
                                                 2.9494      12
                                                 2.6791      11
    9    O                   3.432        7
                                                 2.8729       6
                                                 2.6215       7
                                                 2.7523      10
                                                 2.8907      11
                                                 2.6681       6
                                                 2.6495      12
                                                 3.171       18
   10    O                   3.432        9
                                                 2.6454       5
                                                 2.9006       6
                                                 2.6027       8
                                                 2.7523       9
                                                 2.7779      11
                                                 3.1385      15
                                                 2.8732      16
                                                 3.3484      18
                                                 2.6018      11
   11    O                   3.432        8
                                                 2.8014       6
                                                 2.8907       9
                                                 2.7779      10
                                                 2.7473      15
                                                 2.6092       5
                                                 2.6791       8
                                                 2.6018      10
                                                 3.3147      16
   12    O                   3.432        7
                                                 2.6225       6
                                                 2.5917       7
                                                 2.6495       9
                                                 2.7561       7
                                                 2.9494       8
                                                 2.7444       5
                                                 3.4236      16
   13    Na                  2.976        7
                                                 2.6849       7
                                                 2.3559      15
                                                 2.9011      18
                                                 2.537       12
                                                 2.585       15
                                                 2.4379      16
                                                 2.5464       5
   14    K                   3.396        9
                                                 2.9784       7
                                                 2.7758       9
                                                 2.9551      10
                                                 3.1482      16
                                                 2.9294      16
                                                 2.8218      12
                                                 2.7236      17
                                                 3.1554      18
                                                 3.0686      15
   15    H(2)O               3.6          7
                                                 3.3011       7
                                                 2.8405       8
                                                 3.1385      10
                                                 2.7473      11
                                                 3.2802      16
                                                 2.8591      18
                                                 3.3535      15
   16    H(2)O               3.6          7
                                                 2.8732      10
                                                 3.2802      15
                                                 3.3918       7
                                                 3.3765      17
                                                 2.9554       6
                                                 3.3147      11
                                                 3.4236      12
   17    H(2)O               3.6          6
                                                 2.9301       6
                                                 3.5357       8
                                                 2.9301       6
                                                 3.5357       8
                                                 3.3765      16
                                                 3.3765      16
   18    H(2)O               3.6          8
                                                 2.8591      15
                                                 2.8591      15
                                                 3.0093       5
                                                 3.171        9
                                                 3.3484      10
                                                 3.0093       5
                                                 3.171        9
                                                 3.3484      10

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.54056(angs.):

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

    1   1   1   0  6.059  12.118   0.069  176.54    4       79.4      401.1
    2   1   0   1  6.133  12.265   0.069  172.27    2       20.6       13.2
    3   0   1   1  6.167  12.334   0.07   170.32    4       34.1       71.6
    4   1   0  -1  6.316  12.632   0.071  162.3     2       13.2        5.1
    5   0   2   0  8.501  17.001   0.096   88.59    2       35.4       20.1
    6   2   0   0  8.668  17.337   0.098   85.11    2      131.6      266.0
    7   0   0   2  8.971  17.942   0.101   79.32    2      120.9      209.2
    8   1   2   1 10.509  21.017   0.118   57.22    4      141.5      413.3
    9   2   1   1 10.557  21.114   0.119   56.68    4       38.3       30.0
   10   1   2  -1 10.618  21.236   0.12    56.0     4      105.3      223.9
   11   1   1   2 10.746  21.492   0.121   54.62    4       22.3        9.8
   12   2   1  -1 10.774  21.548   0.121   54.33    4       50.4       49.9
   13   1   1  -2 10.96   21.919   0.123   52.43    4       39.8       29.9
   14   2   2   0 12.187  24.374   0.137   42.0     4       46.9       33.3
   15   2   0   2 12.337  24.674   0.139   40.94    2       15.7        1.8
   16   0   2   2 12.407  24.815   0.139   40.45    4       47.5       32.9
   17   2   0  -2 12.71   25.42    0.143   38.45    2       14.5        1.4
   18   1   3   0 13.543  27.087   0.152   33.62    4       98.8      118.4
   19   0   3   1 13.594  27.187   0.153   33.36    4       27.7        9.2
   20   3   0   1 13.708  27.416   0.154   32.77    2       35.1        7.3
   21   3   1   0 13.76   27.519   0.154   32.51    4      130.7      200.2
   22   3   0  -1 13.963  27.926   0.157   31.52    2       17.1        1.7
   23   1   0   3 14.101  28.201   0.158   30.86    2        9.1        0.5
   24   0   1   3 14.199  28.399   0.159   30.41    4      192.7      407.5
   25   1   0  -3 14.349  28.698   0.161   29.74    2       38.0        7.7
   26   2   2   2 15.059  30.118   0.169   26.82    4       65.8       41.9
   27   2   2  -2 15.371  30.741   0.172   25.67    4       10.2        1.0
   28   2   3   1 16.139  32.278   0.18    23.1     4       59.8       29.8
   29   3   2   1 16.218  32.436   0.181   22.86    4      144.4      172.0
   30   1   3   2 16.267  32.535   0.182   22.71    4       29.2        7.0
   31   2   3  -1 16.286  32.573   0.182   22.65    4       14.1        1.6
   32   3   1   2 16.305  32.61    0.182   22.6     4       92.7       70.1
   33   1   3  -2 16.414  32.827   0.183   22.28    4       77.0       47.7
   34   3   2  -1 16.438  32.875   0.184   22.21    4      227.9      415.9
   35   2   1   3 16.516  33.032   0.185   21.98    4       56.3       25.1
   36   1   2   3 16.557  33.113   0.185   21.86    4      188.5      280.3
   37   3   1  -2 16.739  33.478   0.187   21.35    4      120.8      112.5
   38   1   2  -3 16.772  33.544   0.187   21.26    4       67.5       34.9
   39   2   1  -3 16.946  33.891   0.189   20.78    4       39.0       11.4
   40   0   4   0 17.196  34.391   0.192   20.13    2      230.8      193.5
   41   4   0   0 17.544  35.087   0.196   19.27    2        2.9        0.0
   42   0   0   4 18.171  36.343   0.202   17.84    2      105.1       35.6
   43   1   4   1 18.321  36.643   0.204   17.52    4       39.1        9.6
   44   1   4  -1 18.387  36.775   0.205   17.39    4        6.4        0.3
   45   3   3   0 18.461  36.922   0.206   17.23    4       23.6        3.5
   46   4   1   1 18.533  37.065   0.206   17.09    4       93.4       53.8
   47   3   0   3 18.693  37.386   0.208   16.77    2       21.3        1.4
   48   4   1  -1 18.793  37.586   0.209   16.57    4       24.0        3.4
   49   0   3   3 18.801  37.603   0.209   16.55    4       63.6       24.2
   50   1   1   4 19.095  38.191   0.212   16.0     4       59.6       20.5
   51   3   0  -3 19.27   38.541   0.214   15.68    2       37.9        4.1
   52   1   1  -4 19.349  38.699   0.215   15.54    4       79.9       35.8
   53   2   4   0 19.38   38.761   0.215   15.48    4       19.6        2.1
   54   0   4   2 19.526  39.052   0.217   15.23    4       81.6       36.6
   55   4   0   2 19.59   39.18    0.218   15.12    2       17.4        0.8
   56   4   2   0 19.617  39.233   0.218   15.07    4       60.4       19.8
   57   2   0   4 20.021  40.043   0.222   14.4     2      105.7       29.0
   58   4   0  -2 20.085  40.17    0.223   14.3     2       98.9       25.2
   59   0   2   4 20.189  40.378   0.224   14.14    4       44.4       10.1
   60   3   3   2 20.489  40.978   0.227   13.68    4       40.1        7.9
   61   2   0  -4 20.507  41.015   0.227   13.65    2       23.2        1.3
   62   2   3   3 20.663  41.326   0.229   13.42    4       47.2       10.8
   63   3   2   3 20.667  41.335   0.229   13.42    4       21.9        2.3
   64   3   3  -2 20.848  41.695   0.231   13.16    4       57.6       15.7
   65   2   3  -3 21.019  42.039   0.233   12.92    4       18.3        1.6
   66   3   2  -3 21.2    42.399   0.235   12.68    4        7.1        0.2
   67   2   4   2 21.393  42.786   0.237   12.42    4      108.4       52.7
   68   4   2   2 21.496  42.991   0.238   12.29    4       26.7        3.2
   69   2   4  -2 21.624  43.249   0.239   12.12    4      105.6       48.8
   70   2   2   4 21.896  43.791   0.242   11.79    4       15.5        1.0
   71   4   2  -2 21.955  43.91    0.243   11.72    4       19.9        1.7
   72   1   5   0 22.157  44.315   0.245   11.48    4       35.2        5.1
   73   0   5   1 22.19   44.38    0.245   11.44    4       17.6        1.3
   74   3   4   1 22.265  44.53    0.246   11.35    4       59.4       14.5
   75   2   2  -4 22.348  44.697   0.247   11.26    4       44.7        8.1
   76   4   3   1 22.36   44.72    0.247   11.24    4       78.4       25.0
   77   3   4  -1 22.433  44.866   0.248   11.16    4       24.0        2.3
   78   5   0   1 22.49   44.981   0.248   11.1     2       37.2        2.8
   79   1   4   3 22.525  45.05    0.249   11.06    4       43.1        7.4
   80   4   1   3 22.537  45.073   0.249   11.05    4        7.1        0.2
   81   5   1   0 22.58   45.16    0.249   11.0     4       72.1       20.6
   82   4   3  -1 22.584  45.167   0.249   10.99    4       33.5        4.4
   83   1   4  -3 22.692  45.383   0.25    10.88    4       77.4       23.5
   84   3   1   4 22.762  45.524   0.251   10.8     4       33.6        4.4
   85   5   0  -1 22.768  45.536   0.251   10.79    2       71.9       10.1
   86   1   3   4 22.844  45.689   0.252   10.71    4        6.4        0.2
   87   1   3  -4 23.064  46.128   0.254   10.48    4       30.1        3.4
   88   4   1  -3 23.198  46.396   0.256   10.35    4       15.4        0.9
   89   1   0   5 23.258  46.516   0.256   10.29    2        8.8        0.1
   90   0   1   5 23.377  46.753   0.258   10.17    4       71.1       18.5
   91   3   1  -4 23.419  46.837   0.258   10.13    4       53.0       10.3
   92   1   0  -5 23.529  47.057   0.259   10.02    2       11.9        0.3
   93   2   5   1 23.941  47.882   0.263    9.63    4       22.3        1.7
   94   1   5   2 24.033  48.067   0.264    9.55    4       16.5        0.9
   95   2   5  -1 24.047  48.094   0.265    9.54    4        7.8        0.2
   96   1   5  -2 24.139  48.279   0.265    9.45    4       38.9        5.2
   97   5   2   1 24.211  48.421   0.266    9.39    4       85.2       24.6
   98   5   1   2 24.22   48.441   0.266    9.38    4       69.5       16.4
   99   5   2  -1 24.474  48.947   0.269    9.16    4       49.6        8.1
  100   5   1  -2 24.744  49.487   0.272    8.94    4       40.6        5.3
  101   2   1   5 24.857  49.714   0.273    8.84    4       22.7        1.6
  102   1   2   5 24.938  49.875   0.274    8.78    4       67.9       14.6
  103   4   4   0 24.974  49.948   0.274    8.75    4      138.1       60.2
  104   1   2  -5 25.195  50.389   0.276    8.58    4      103.6       33.2
  105   4   0   4 25.298  50.596   0.277    8.5     2      107.8       17.8
  106   2   1  -5 25.371  50.741   0.278    8.44    4       85.9       22.5
  107   0   4   4 25.45   50.899   0.279    8.38    4       65.5       13.0
  108   3   5   0 25.672  51.343   0.281    8.22    4       99.8       29.5
  109   3   4   3 25.851  51.701   0.283    8.09    4        2.4        0.0
  110   4   3   3 25.886  51.771   0.283    8.06    4       74.5       16.1
  111   5   3   0 25.925  51.849   0.284    8.04    4       35.0        3.5
  112   0   5   3 25.935  51.869   0.284    8.03    4      147.0       62.6
  113   5   0   3 25.952  51.904   0.284    8.02    2        6.0        0.1
  114   3   3   4 26.089  52.178   0.285    7.92    4      117.9       39.7
  115   4   0  -4 26.106  52.212   0.286    7.91    2      111.2       17.6
  116   3   4  -3 26.3    52.601   0.288    7.78    4       38.7        4.2
  117   0   6   0 26.324  52.649   0.288    7.76    2       38.1        2.0
  118   3   0   5 26.415  52.83    0.289    7.7     2       31.8        1.4
  119   4   3  -3 26.484  52.967   0.289    7.66    4       84.1       19.5
  120   4   4   2 26.552  53.104   0.29     7.61    4      106.0       30.9
  121   0   3   5 26.646  53.292   0.291    7.55    4       16.4        0.7
  122   3   3  -4 26.684  53.368   0.291    7.53    4      120.1       39.1
  123   5   0  -3 26.697  53.394   0.292    7.52    2       16.0        0.3
  124   6   0   0 26.882  53.763   0.293    7.4     2      189.9       48.1
  125   4   2   4 26.883  53.766   0.294    7.4     4       71.4       13.6
  126   2   4   4 26.894  53.789   0.294    7.39    4       29.2        2.3
  127   4   4  -2 26.945  53.89    0.294    7.36    4       33.2        2.9
  128   1   6   1 27.138  54.277   0.296    7.24    4       62.1       10.1
  129   3   0  -5 27.151  54.302   0.296    7.23    2       39.7        2.1
  130   1   6  -1 27.187  54.374   0.297    7.21    4       80.7       16.9
  131   3   5   2 27.269  54.538   0.297    7.16    4       19.1        0.9
  132   2   4  -4 27.284  54.568   0.298    7.15    4       90.9       21.3
  133   2   5   3 27.41   54.819   0.299    7.08    4       34.9        3.1
  134   5   3   2 27.415  54.831   0.299    7.08    4       48.5        6.0
  135   5   2   3 27.51   55.021   0.3      7.02    4       43.5        4.8
  136   6   1   1 27.549  55.098   0.3      7.0     4       36.2        3.3
  137   3   5  -2 27.559  55.118   0.3      6.99    4       48.1        5.8
  138   4   2  -4 27.658  55.317   0.301    6.94    4       20.5        1.1
  139   2   5  -3 27.698  55.397   0.302    6.91    4       16.8        0.7
  140   6   1  -1 27.837  55.674   0.303    6.84    4       35.7        3.1
  141   0   0   6 27.891  55.782   0.304    6.81    2      156.7       30.2
  142   5   3  -2 27.895  55.791   0.304    6.8     4       13.3        0.4
  143   2   6   0 27.928  55.857   0.304    6.78    4       60.5        9.0
  144   3   2   5 27.955  55.911   0.304    6.77    4       70.1       12.0
  145   2   3   5 28.0    55.999   0.305    6.75    4       66.1       10.6
  146   0   6   2 28.039  56.078   0.305    6.72    4       66.5       10.7
  147   5   2  -3 28.227  56.454   0.307    6.62    4       12.9        0.4
  148   6   0   2 28.29   56.581   0.308    6.59    2       12.8        0.2
  149   6   2   0 28.405  56.81    0.309    6.53    4       40.4        3.8
  150   2   3  -5 28.473  56.946   0.309    6.49    4       65.0        9.9
  151   1   1   6 28.515  57.031   0.31     6.47    4       95.8       21.4
  152   3   2  -5 28.664  57.329   0.311    6.4     4       54.9        7.0
  153   1   1  -6 28.797  57.594   0.313    6.33    4        6.7        0.1
  154   4   5   1 28.803  57.605   0.313    6.33    4       41.5        3.9
  155   6   0  -2 28.854  57.708   0.313    6.3     2       11.5        0.2
  156   5   4   1 28.911  57.822   0.314    6.27    4       45.0        4.6
  157   4   5  -1 28.989  57.979   0.315    6.24    4       37.0        3.1
  158   5   4  -1 29.144  58.288   0.316    6.16    4       51.9        6.0
  159   2   0   6 29.16   58.32    0.316    6.15    2       18.0        0.4
  160   5   1   4 29.186  58.372   0.317    6.14    4       31.2        2.2
  161   1   5   4 29.208  58.416   0.317    6.13    4       10.9        0.3
  162   0   2   6 29.38   58.759   0.318    6.05    4       28.6        1.8
  163   1   5  -4 29.393  58.786   0.319    6.04    4       61.0        8.1
  164   4   1   5 29.428  58.855   0.319    6.03    4       54.2        6.4
  165   2   6   2 29.488  58.976   0.32     6.0     4       18.9        0.8
  166   1   4   5 29.556  59.112   0.32     5.97    4       36.8        2.9
  167   2   6  -2 29.672  59.344   0.321    5.92    4       30.0        1.9
  168   2   0  -6 29.713  59.427   0.322    5.9     2       31.4        1.0
  169   6   2   2 29.766  59.532   0.322    5.88    4       37.8        3.0
  170   1   4  -5 29.786  59.571   0.322    5.87    4       53.1        6.0
  171   5   1  -4 30.105  60.209   0.326    5.73    4       15.7        0.5
  172   3   6   1 30.185  60.371   0.326    5.69    4       94.5       18.4
  173   6   2  -2 30.312  60.625   0.328    5.64    4       25.1        1.3
  174   3   6  -1 30.321  60.643   0.328    5.64    4      132.2       35.6
  175   4   1  -5 30.341  60.683   0.328    5.63    4       42.6        3.7
  176   1   6   3 30.396  60.791   0.328    5.61    4       84.1       14.3
  177   6   3   1 30.501  61.002   0.329    5.56    4       39.5        3.1
  178   1   6  -3 30.531  61.062   0.33     5.55    4       22.4        1.0
  179   6   1   3 30.553  61.106   0.33     5.54    4       99.9       19.9
  180   2   2   6 30.609  61.218   0.331    5.52    4       34.2        2.3
  181   6   3  -1 30.771  61.542   0.332    5.46    4       63.6        8.0
  182   2   2  -6 31.147  62.294   0.336    5.31    4       11.3        0.2
  183   3   1   6 31.255  62.51    0.337    5.27    4       57.4        6.3
  184   4   4   4 31.307  62.614   0.337    5.25    4       43.1        3.5
  185   6   1  -3 31.359  62.717   0.338    5.23    4      114.1       24.6
  186   1   3   6 31.41   62.82    0.338    5.21    4      128.4       31.0
  187   1   7   0 31.522  63.044   0.339    5.17    4       47.1        4.1
  188   0   7   1 31.547  63.095   0.34     5.16    4       38.7        2.8
  189   1   3  -6 31.676  63.351   0.341    5.12    4       14.8        0.4
  190   4   5   3 31.82   63.64    0.342    5.07    4       27.8        1.4
  191   5   5   0 31.854  63.709   0.343    5.06    4       38.1        2.6
  192   5   4   3 31.879  63.757   0.343    5.05    4       19.0        0.7
  193   3   5   4 31.999  63.998   0.344    5.01    4       50.8        4.7
  194   4   4  -4 32.014  64.028   0.344    5.0     4       27.1        1.3
  195   5   3   4 32.044  64.088   0.344    4.99    4       15.6        0.4
  196   3   1  -6 32.05   64.101   0.344    4.99    4       66.8        8.0
  197   7   0   1 32.071  64.142   0.345    4.98    2       21.0        0.4
  198   7   1   0 32.185  64.371   0.346    4.94    4       82.6       12.2
  199   4   3   5 32.273  64.545   0.347    4.91    4      105.3       19.7
  200   3   4   5 32.286  64.572   0.347    4.91    4        5.2        0.0
  201   5   0   5 32.287  64.574   0.347    4.91    2       39.8        1.4
  202   4   5  -3 32.347  64.693   0.347    4.89    4       77.5       10.6
  203   7   0  -1 32.377  64.755   0.348    4.88    2       24.7        0.5
  204   4   6   0 32.425  64.851   0.348    4.86    4       21.3        0.8
  205   0   5   5 32.49   64.98    0.349    4.84    4       27.2        1.3
  206   3   5  -4 32.524  65.047   0.349    4.83    4       54.4        5.2
  207   5   4  -3 32.535  65.07    0.349    4.83    4       49.1        4.2
  208   6   4   0 32.699  65.397   0.351    4.78    4      160.4       44.3
  209   6   0   4 32.799  65.598   0.352    4.75    2       10.8        0.1
  210   0   6   4 32.829  65.658   0.352    4.74    4       26.3        1.2
  211   5   3  -4 32.915  65.831   0.353    4.71    4       48.1        3.9
  212   3   4  -5 32.938  65.876   0.353    4.7     4       40.9        2.8
  213   2   7   1 32.946  65.892   0.353    4.7     4       55.5        5.2
  214   1   7   2 33.021  66.042   0.354    4.68    4       35.5        2.1
  215   2   7  -1 33.032  66.065   0.354    4.67    4        9.9        0.2
  216   1   7  -2 33.107  66.215   0.355    4.65    4       69.2        8.0
  217   4   3  -5 33.141  66.282   0.355    4.64    4       27.3        1.2
  218   3   6   3 33.171  66.343   0.355    4.63    4       75.1        9.4
  219   5   5   2 33.174  66.347   0.355    4.63    4       22.5        0.8
  220   1   0   7 33.281  66.562   0.356    4.6     2       28.4        0.7
  221   4   0   6 33.3    66.6     0.356    4.6     2       75.0        4.7
  222   6   3   3 33.343  66.685   0.357    4.58    4       52.5        4.5
  223   5   0  -5 33.37   66.74    0.357    4.57    2       18.9        0.3
  224   7   1   2 33.412  66.823   0.357    4.56    4       31.5        1.6
  225   0   1   7 33.418  66.836   0.357    4.56    4        9.4        0.1
  226   7   2   1 33.447  66.894   0.358    4.55    4       42.2        2.9
  227   3   6  -3 33.558  67.116   0.359    4.52    4       73.1        8.7
  228   1   0  -7 33.581  67.163   0.359    4.51    2       13.3        0.1
  229   0   4   6 33.599  67.199   0.359    4.51    4      175.8       50.3
  230   5   5  -2 33.603  67.206   0.359    4.51    4       31.3        1.6
  231   5   2   5 33.658  67.316   0.36     4.49    4       24.9        1.0
  232   2   5   5 33.697  67.393   0.36     4.48    4       42.6        2.9
  233   7   2  -1 33.747  67.493   0.361    4.47    4       28.6        1.3
  234   4   6   2 33.776  67.551   0.361    4.46    4       24.7        1.0
  235   6   0  -4 33.831  67.662   0.361    4.44    2        2.5        0.0
  236   6   4   2 33.958  67.916   0.363    4.41    4       16.7        0.4
  237   7   1  -2 34.01   68.021   0.363    4.4     4       26.5        1.1
  238   3   3   6 34.013  68.025   0.363    4.4     4       87.2       12.0
  239   2   6   4 34.072  68.145   0.364    4.38    4       10.3        0.2
  240   6   3  -3 34.112  68.224   0.364    4.37    4       93.0       13.6
  241   4   6  -2 34.116  68.233   0.364    4.37    4       35.9        2.0
  242   2   5  -5 34.123  68.246   0.364    4.37    4        6.5        0.1
  243   6   2   4 34.159  68.319   0.364    4.36    4       33.4        1.8
  244   4   0  -6 34.324  68.649   0.366    4.31    2       91.7        6.5
  245   3   7   0 34.375  68.749   0.366    4.3     4       60.0        5.6
  246   2   6  -4 34.412  68.824   0.367    4.29    4       53.8        4.5
  247   6   4  -2 34.468  68.935   0.367    4.28    4       19.7        0.6
  248   2   1   7 34.524  69.048   0.368    4.26    4       38.8        2.3
  249   0   7   3 34.595  69.191   0.369    4.24    4       62.6        6.0
  250   1   2   7 34.632  69.264   0.369    4.23    4       29.0        1.3
  251   4   2   6 34.651  69.301   0.369    4.23    4       31.1        1.5
  252   5   2  -5 34.72   69.439   0.37     4.21    4       54.1        4.5
  253   2   4   6 34.745  69.49    0.37     4.21    4       27.6        1.2
  254   3   3  -6 34.775  69.55    0.37     4.2     4       79.1        9.5
  255   7   0   3 34.801  69.603   0.37     4.19    2       60.2        2.7
  256   7   3   0 34.905  69.809   0.371    4.17    4      151.2       34.4
  257   1   2  -7 34.927  69.854   0.372    4.16    4       15.8        0.4
  258   2   1  -7 35.114  70.227   0.373    4.12    4       64.8        6.2
  259   6   2  -4 35.172  70.344   0.374    4.1     4       14.5        0.3
  260   2   4  -6 35.249  70.498   0.375    4.09    4       85.8       10.9
  261   4   2  -6 35.657  71.314   0.378    3.99    4       20.0        0.6
  262   7   0  -3 35.681  71.362   0.379    3.99    2       23.7        0.4
  263   3   7   2 35.73   71.461   0.379    3.98    4       71.8        7.4
  264   3   0   7 35.773  71.546   0.379    3.97    2       20.4        0.3
  265   5   6   1 35.848  71.697   0.38     3.95    4       58.0        4.8
  266   2   7   3 35.851  71.702   0.38     3.95    4       72.5        7.5
  267   6   5   1 35.971  71.942   0.381    3.93    4        6.7        0.1
  268   3   7  -2 35.98   71.96    0.381    3.92    4       89.8       11.4
  269   5   6  -1 36.056  72.112   0.382    3.91    4       28.5        1.1
  270   7   3   2 36.086  72.172   0.382    3.9     4       55.3        4.3
  271   0   3   7 36.092  72.184   0.382    3.9     4       89.1       11.2
  272   2   7  -3 36.1    72.2     0.382    3.9     4       50.1        3.5
  273   7   2   3 36.126  72.252   0.383    3.89    4      141.2       28.0
  274   6   5  -1 36.22   72.44    0.384    3.87    4       62.8        5.5
  275   0   8   0 36.247  72.495   0.384    3.87    2      162.6       18.4
  276   6   1   5 36.363  72.726   0.385    3.84    4       55.6        4.3
  277   1   6   5 36.426  72.851   0.385    3.83    4       21.1        0.6
  278   5   1   6 36.627  73.253   0.387    3.79    4       43.9        2.6
  279   1   6  -5 36.632  73.264   0.387    3.79    4       58.2        4.6
  280   3   0  -7 36.643  73.285   0.387    3.79    2       14.5        0.1
  281   7   3  -2 36.665  73.329   0.388    3.78    4       80.0        8.7
  282   1   5   6 36.811  73.621   0.389    3.76    4       98.5       13.2
  283   1   8   1 36.931  73.861   0.39     3.73    4       63.0        5.3
  284   1   8  -1 36.972  73.943   0.39     3.73    4       49.3        3.3
  285   7   2  -3 36.992  73.985   0.391    3.72    4       79.4        8.5
  286   1   5  -6 37.057  74.114   0.391    3.71    4       45.3        2.8
  287   4   7   1 37.062  74.125   0.391    3.71    4        5.2        0.0
  288   8   0   0 37.075  74.151   0.391    3.71    2       13.9        0.1
  289   3   2   7 37.083  74.166   0.391    3.7     4       68.5        6.3
  290   2   3   7 37.162  74.325   0.392    3.69    4       24.3        0.8
  291   4   7  -1 37.226  74.453   0.393    3.68    4       43.4        2.5
  292   5   5   4 37.4    74.8     0.394    3.65    4       50.1        3.3
  293   1   7   4 37.419  74.838   0.394    3.64    4       22.6        0.7
  294   7   4   1 37.425  74.85    0.394    3.64    4       36.1        1.7
  295   7   1   4 37.544  75.089   0.396    3.62    4       22.3        0.6
  296   1   7  -4 37.582  75.165   0.396    3.61    4       14.9        0.3
  297   6   1  -5 37.595  75.191   0.396    3.61    4       31.3        1.3
  298   8   1   1 37.597  75.194   0.396    3.61    4       20.3        0.5
  299   2   8   0 37.602  75.205   0.396    3.61    4      104.7       14.3
  300   4   5   5 37.613  75.226   0.396    3.61    4       35.9        1.7
  301   5   4   5 37.627  75.253   0.396    3.61    4       29.8        1.2
  302   0   8   2 37.697  75.394   0.397    3.59    4       29.6        1.1
  303   7   4  -1 37.711  75.422   0.397    3.59    4       11.2        0.2
  304   2   3  -7 37.735  75.47    0.397    3.59    4       71.3        6.6
  305   5   1  -6 37.856  75.712   0.398    3.57    4       62.1        5.0
  306   8   1  -1 37.923  75.847   0.399    3.56    4       26.8        0.9
  307   3   2  -7 37.941  75.883   0.399    3.55    4      132.3       22.4
  308   4   6   4 38.013  76.026   0.4      3.54    4       48.3        3.0
  309   6   4   4 38.106  76.211   0.401    3.53    4       16.1        0.3
  310   8   0   2 38.189  76.379   0.401    3.51    2       54.2        1.9
  311   5   5  -4 38.215  76.43    0.402    3.51    4       15.9        0.3
  312   4   1   7 38.324  76.648   0.403    3.49    4      126.0       20.0
  313   8   2   0 38.369  76.738   0.403    3.48    4       53.8        3.6
  314   4   5  -5 38.427  76.854   0.403    3.48    4       36.1        1.6
  315   5   6   3 38.538  77.075   0.404    3.46    4       46.7        2.7
  316   1   4   7 38.559  77.117   0.405    3.46    4       28.5        1.0
  317   4   4   6 38.576  77.153   0.405    3.45    4       68.7        5.9
  318   0   0   8 38.589  77.177   0.405    3.45    2       34.7        0.8
  319   6   5   3 38.617  77.233   0.405    3.45    4      105.7       13.9
  320   5   4  -5 38.643  77.285   0.405    3.44    4        9.8        0.1
  321   4   6  -4 38.662  77.324   0.406    3.44    4       23.0        0.7
  322   7   1  -4 38.682  77.365   0.406    3.44    4       69.5        6.0
  323   8   0  -2 38.838  77.675   0.407    3.41    2       46.6        1.3
  324   1   4  -7 38.842  77.683   0.407    3.41    4       35.9        1.6
  325   3   6   5 38.913  77.826   0.408    3.4     4       72.6        6.5
  326   6   3   5 38.952  77.905   0.408    3.4     4       57.0        4.0
  327   2   8   2 38.954  77.908   0.408    3.4     4       16.4        0.3
  328   6   4  -4 39.077  78.155   0.409    3.38    4        8.1        0.1
  329   1   1   8 39.08   78.161   0.409    3.38    4       36.3        1.6
  330   2   8  -2 39.115  78.23    0.41     3.37    4       40.9        2.0
  331   5   6  -3 39.144  78.287   0.41     3.37    4        1.7        0.0
  332   5   3   6 39.21   78.42    0.41     3.36    4        7.6        0.1
  333   3   5   6 39.249  78.498   0.411    3.35    4       98.2       11.7
  334   6   6   0 39.295  78.59    0.411    3.35    4       47.7        2.8
  335   6   5  -3 39.343  78.686   0.412    3.34    4      153.1       28.3
  336   1   1  -8 39.403  78.805   0.412    3.33    4       46.5        2.6
  337   4   1  -7 39.455  78.91    0.412    3.33    4       25.7        0.8
  338   8   2   2 39.471  78.942   0.413    3.32    4       35.7        1.5
  339   3   6  -5 39.517  79.035   0.413    3.32    4       70.3        5.9
  340   4   4  -6 39.545  79.089   0.413    3.31    4       44.9        2.4
  341   3   8   1 39.568  79.136   0.413    3.31    4       24.2        0.7
  342   2   0   8 39.596  79.191   0.414    3.31    2       27.0        0.4
  343   3   8  -1 39.688  79.377   0.415    3.29    4       17.9        0.4
  344   1   8   3 39.754  79.509   0.415    3.29    4       73.7        6.4
  345   4   7   3 39.763  79.525   0.415    3.29    4       31.6        1.2
  346   5   7   0 39.794  79.588   0.415    3.28    4       20.9        0.5
  347   6   0   6 39.866  79.731   0.416    3.27    2       78.7        3.7
  348   0   2   8 39.866  79.733   0.416    3.27    4       31.1        1.1
  349   1   8  -3 39.875  79.749   0.416    3.27    4       21.9        0.6
  350   3   7   4 39.926  79.851   0.417    3.26    4       58.6        4.0
  351   3   5  -6 39.973  79.945   0.417    3.26    4       66.0        5.1
  352   7   4   3 39.998  79.995   0.417    3.26    4       50.7        3.0
  353   7   5   0 40.096  80.192   0.418    3.24    4       60.5        4.3
  354   7   3   4 40.108  80.217   0.418    3.24    4       26.0        0.8
  355   8   2  -2 40.113  80.226   0.418    3.24    4       49.2        2.8
  356   8   1   3 40.126  80.253   0.418    3.24    4       45.4        2.4
  357   0   6   6 40.134  80.268   0.418    3.24    4       20.5        0.5
  358   6   3  -5 40.158  80.317   0.419    3.24    4       40.5        1.9
  359   8   3   1 40.16   80.32    0.419    3.23    4        8.5        0.1
  360   2   0  -8 40.237  80.475   0.419    3.23    2        5.2        0.0
  361   4   7  -3 40.244  80.487   0.419    3.22    4       54.1        3.4
  362   7   0   5 40.29   80.581   0.42     3.22    2        5.5        0.0
  363   0   7   5 40.375  80.75    0.42     3.21    4       27.2        0.9
  364   3   7  -4 40.406  80.812   0.421    3.21    4       70.6        5.8
  365   5   3  -6 40.414  80.828   0.421    3.2     4       77.4        6.9
  366   6   6   2 40.47   80.941   0.421    3.2     4       66.7        5.1
  367   8   3  -1 40.48   80.961   0.421    3.2     4       16.9        0.3
  368   7   4  -3 40.837  81.675   0.424    3.16    4       39.0        1.7
  369   5   0   7 40.847  81.694   0.425    3.15    2        5.9        0.0
  370   2   2   8 40.865  81.731   0.425    3.15    4       16.1        0.3
  371   4   3   7 40.874  81.747   0.425    3.15    4       48.1        2.6
  372   3   4   7 40.926  81.851   0.425    3.15    4        6.3        0.0
  373   6   6  -2 40.949  81.899   0.425    3.14    4       42.1        2.0
  374   5   7   2 41.005  82.011   0.426    3.14    4       74.3        6.2
  375   8   1  -3 41.085  82.17    0.427    3.13    4       44.6        2.2
  376   6   2   6 41.133  82.266   0.427    3.12    4       30.5        1.0
  377   2   6   6 41.211  82.422   0.428    3.12    4       15.6        0.3
  378   7   5   2 41.226  82.452   0.428    3.11    4       34.8        1.4
  379   7   3  -4 41.226  82.453   0.428    3.11    4        6.5        0.0
  380   0   5   7 41.231  82.463   0.428    3.11    4       23.0        0.6
  381   6   0  -6 41.304  82.608   0.428    3.11    2      130.2        9.5
  382   3   1   8 41.4    82.8     0.429    3.1     4       25.8        0.7
  383   5   7  -2 41.404  82.807   0.429    3.1     4       40.0        1.8
  384   2   7   5 41.49   82.981   0.43     3.09    4        8.8        0.1
  385   2   2  -8 41.503  83.005   0.43     3.09    4       25.7        0.7
  386   7   2   5 41.555  83.11    0.431    3.08    4       41.0        1.9
  387   4   8   0 41.581  83.161   0.431    3.08    4       73.4        6.0
  388   1   3   8 41.618  83.237   0.431    3.07    4       17.9        0.4
  389   7   0  -5 41.686  83.372   0.432    3.07    2        1.6        0.0
  390   2   6  -6 41.688  83.377   0.432    3.07    4       27.3        0.8
  391   3   4  -7 41.761  83.523   0.432    3.06    4       15.0        0.2
  392   7   5  -2 41.783  83.565   0.433    3.06    4       23.2        0.6
  393   2   7  -5 41.888  83.776   0.433    3.05    4       83.6        7.7
  394   1   3  -8 41.936  83.873   0.434    3.04    4       31.4        1.1
  395   0   8   4 41.95   83.899   0.434    3.04    4       26.9        0.8
  396   4   3  -7 41.988  83.975   0.434    3.04    4       35.9        1.4
  397   1   9   0 42.024  84.047   0.435    3.04    4       12.2        0.2
  398   0   9   1 42.047  84.093   0.435    3.03    4        5.1        0.0
  399   5   2   7 42.108  84.217   0.435    3.03    4       13.7        0.2
  400   8   0   4 42.112  84.224   0.435    3.03    2       30.5        0.5
  401   8   4   0 42.179  84.358   0.436    3.02    4       33.1        1.2
  402   5   0  -7 42.239  84.477   0.436    3.02    2       21.5        0.3
  403   2   5   7 42.263  84.527   0.437    3.01    4       14.3        0.2
  404   3   8   3 42.264  84.528   0.437    3.01    4       34.8        1.3
  405   3   1  -8 42.353  84.707   0.437    3.01    4       23.2        0.6
  406   6   2  -6 42.563  85.126   0.439    2.99    4       35.0        1.3
  407   3   8  -3 42.621  85.241   0.44     2.98    4       14.8        0.2
  408   8   3   3 42.651  85.302   0.44     2.98    4       19.5        0.4
  409   2   5  -7 42.818  85.636   0.441    2.97    4       89.1        8.5
  410   4   8   2 42.822  85.644   0.441    2.97    4       52.6        3.0
  411   9   0   1 42.876  85.752   0.442    2.96    2       29.0        0.4
  412   7   2  -5 42.943  85.887   0.442    2.96    4       31.7        1.1
  413   9   1   0 43.019  86.037   0.443    2.95    4       38.1        1.5
  414   2   8   4 43.098  86.195   0.444    2.95    4       56.9        3.4
  415   4   8  -2 43.139  86.277   0.444    2.94    4        6.0        0.0
  416   4   0   8 43.215  86.43    0.444    2.94    2       43.0        1.0
  417   9   0  -1 43.232  86.464   0.445    2.94    2        9.0        0.0
  418   8   4   2 43.26   86.52    0.445    2.93    4       37.1        1.5
  419   2   9   1 43.313  86.626   0.445    2.93    4       31.9        1.1
  420   8   2   4 43.368  86.736   0.446    2.93    4       38.7        1.6
  421   8   0  -4 43.379  86.758   0.446    2.93    2        2.9        0.0
  422   1   9   2 43.382  86.763   0.446    2.93    4       26.7        0.8
  423   2   9  -1 43.392  86.784   0.446    2.93    4       25.9        0.7
  424   2   8  -4 43.414  86.828   0.446    2.92    4        2.5        0.0
  425   1   9  -2 43.461  86.922   0.446    2.92    4       24.0        0.6
  426   5   2  -7 43.494  86.988   0.447    2.92    4       21.0        0.5
  427   8   3  -3 43.6    87.201   0.448    2.91    4       32.9        1.1
  428   6   7   1 43.631  87.262   0.448    2.91    4       27.7        0.8
  429   0   4   8 43.649  87.298   0.448    2.91    4       45.6        2.2
  430   7   6   1 43.772  87.545   0.449    2.9     4        5.9        0.0
  431   6   7  -1 43.868  87.736   0.45     2.89    4       36.5        1.4
  432   8   4  -2 43.892  87.785   0.45     2.89    4       23.0        0.6
  433   3   3   8 43.913  87.826   0.45     2.89    4       13.2        0.2
  434   5   6   5 43.967  87.934   0.451    2.89    4        8.5        0.1
  435   6   5   5 44.005  88.009   0.451    2.88    4       68.3        4.9
  436   7   6  -1 44.049  88.098   0.451    2.88    4       50.1        2.6
  437   9   1   2 44.058  88.116   0.451    2.88    4       12.7        0.2
  438   9   2   1 44.13   88.26    0.452    2.88    4       58.8        3.6
  439   5   5   6 44.257  88.514   0.453    2.87    4       15.1        0.2
  440   7   1   6 44.317  88.635   0.453    2.87    4      110.0       12.5
  441   6   6   4 44.432  88.863   0.454    2.86    4       24.8        0.6
  442   1   7   6 44.433  88.866   0.454    2.86    4       66.3        4.5
  443   4   2   8 44.468  88.936   0.455    2.86    4       19.2        0.4
  444   4   0  -8 44.48   88.959   0.455    2.86    2        2.1        0.0
  445   9   2  -1 44.485  88.97    0.455    2.86    4       69.3        4.9
  446   6   1   7 44.615  89.23    0.456    2.85    4       43.8        2.0
  447   3   9   0 44.632  89.264   0.456    2.85    4       59.7        3.7
  448   8   2  -4 44.632  89.264   0.456    2.85    4       33.5        1.2
  449   2   4   8 44.635  89.271   0.456    2.85    4       18.3        0.3
  450   1   7  -6 44.67   89.34    0.456    2.85    4       18.5        0.4
  451   1   0   9 44.71   89.421   0.457    2.84    2        8.2        0.0
  452   5   8   1 44.767  89.534   0.457    2.84    4       22.8        0.5
  453   9   1  -2 44.769  89.537   0.457    2.84    4       13.7        0.2
  454   0   9   3 44.838  89.676   0.458    2.84    4       96.7        9.6
  455   3   3  -8 44.861  89.722   0.458    2.84    4       34.0        1.2
  456   1   6   7 44.872  89.745   0.458    2.83    4       50.2        2.6
  457   0   1   9 44.876  89.751   0.458    2.83    4       32.2        1.1
  458   4   6   6 44.89   89.779   0.458    2.83    4       25.7        0.7
  459   6   4   6 44.901  89.801   0.458    2.83    4       60.4        3.7
  460   5   6  -5 44.954  89.908   0.459    2.83    4       32.1        1.1
  461   5   8  -1 44.964  89.928   0.459    2.83    4       33.5        1.1


  X-ray diffraction powder data (I)...X-Ray wave length =  1.54056 (angs.):

  No   H   K   L   Theta 2*Theta    d           I int   I int.n.  I p.h.n.   H(Si)
                    ( degree )   (angstrem)     *100                         *100

    1   1   1   0   6.059  12.118  7.29759      401.1     86.5     87.8     5.6
    2   1   0   1   6.133  12.265  7.21024       13.2      2.8      2.9     5.6
    3   0   1   1   6.167  12.334  7.17008       71.6     15.4     15.7     5.6
    4   1   0  -1   6.316  12.632  7.00198        5.1      1.1      1.1     5.6
    5   0   2   0   8.501  17.001  5.211         20.1      4.3      4.4     5.6
    6   2   0   0   8.668  17.337  5.1108       266.0     57.4     58.0     5.6
    7   0   0   2   8.971  17.942  4.93988      209.2     45.1     45.6     5.6
    8   1   2   1  10.509  21.017  4.22345      413.3     89.2     90.0     5.6
    9   2   1   1  10.557  21.114  4.20426       30.0      6.5      6.5     5.6
   10   1   2  -1  10.618  21.236  4.18037      223.9     48.3     48.7     5.6
   11   2   1  -1  10.774  21.548  4.12053       59.7     12.9     13.0     5.6
   12   1   1  -2  10.96   21.919  4.05159       29.9      6.5      6.5     5.6
   13   2   2   0  12.187  24.374  3.64879       33.3      7.2      7.2     5.6
   14   0   2   2  12.407  24.815  3.58504       32.9      7.1      7.1     5.6
   15   1   3   0  13.543  27.087  3.28922      118.4     25.5     25.7     5.6
   16   0   3   1  13.594  27.187  3.2773         9.2      2.0      2.0     5.6
   17   3   0   1  13.708  27.416  3.25054        7.3      1.6      1.6     5.6
   18   3   1   0  13.76   27.519  3.23853      200.2     43.2     43.4     5.6
   19   0   1   3  14.199  28.399  3.14021      407.5     87.9     88.2     5.6
   20   1   0  -3  14.349  28.698  3.10809        7.7      1.7      1.7     5.6
   21   2   2   2  15.059  30.118  2.96477       41.9      9.0      9.1     5.6
   22   2   3   1  16.139  32.278  2.77108       29.8      6.4      6.4     5.6
   23   3   2   1  16.218  32.436  2.75796      172.0     37.1     37.1     5.6
   24   1   3   2  16.267  32.535  2.74982        8.6      1.9      1.9     5.6
   25   3   1   2  16.305  32.61   2.74367       70.1     15.1     15.1     5.6
   26   3   2  -1  16.438  32.875  2.72213      463.6    100.0    100.0     5.6
   27   2   1   3  16.516  33.032  2.70953       25.1      5.4      5.4     5.6
   28   1   2   3  16.557  33.113  2.7031       280.3     60.5     60.5     5.6
   29   3   1  -2  16.739  33.478  2.67443      112.5     24.3     24.2     5.7
   30   1   2  -3  16.772  33.544  2.66934       34.9      7.5      7.5     5.7
   31   2   1  -3  16.946  33.891  2.64278       11.4      2.5      2.5     5.7
   32   0   4   0  17.196  34.391  2.6055       193.5     41.7     41.7     5.7
   33   0   0   4  18.171  36.343  2.46994       35.6      7.7      7.6     5.7
   34   1   4   1  18.321  36.643  2.45042        9.6      2.1      2.1     5.7
   35   4   1   1  18.533  37.065  2.42346       53.8     11.6     11.6     5.7
   36   0   3   3  18.801  37.603  2.39003       27.6      6.0      5.9     5.7
   37   1   1   4  19.095  38.191  2.35458       20.5      4.4      4.4     5.7
   38   1   1  -4  19.349  38.699  2.32484       35.8      7.7      7.7     5.7
   39   0   4   2  19.526  39.052  2.30458       36.6      7.9      7.8     5.7
   40   4   2   0  19.617  39.233  2.29438       19.8      4.3      4.2     5.7
   41   2   0   4  20.021  40.043  2.24985       29.0      6.3      6.2     5.7
   42   4   0  -2  20.085  40.17   2.24302       25.2      5.4      5.4     5.7
   43   0   2   4  20.189  40.378  2.23192       10.1      2.2      2.2     5.7
   44   3   3   2  20.489  40.978  2.20062        9.3      2.0      2.0     5.7
   45   2   3   3  20.663  41.326  2.18289       13.1      2.8      2.8     5.7
   46   3   3  -2  20.848  41.695  2.16441       15.7      3.4      3.4     5.7
   47   2   4   2  21.393  42.786  2.11172       52.7     11.4     11.3     5.7
   48   2   4  -2  21.624  43.249  2.09019       48.8     10.5     10.4     5.7
   49   1   5   0  22.157  44.315  2.04237        5.1      1.1      1.1     5.7
   50   3   4   1  22.265  44.53   2.03301       14.5      3.1      3.1     5.7
   51   4   3   1  22.36   44.72   2.02478       33.1      7.1      7.1     5.7
   52   1   4   3  22.525  45.05   2.01073        7.6      1.6      1.6     5.7
   53   5   1   0  22.58   45.16   2.00609       25.1      5.4      5.3     5.7
   54   1   4  -3  22.692  45.383  1.99672       23.5      5.1      5.0     5.7
   55   5   0  -1  22.768  45.536  1.99037       14.5      3.1      3.1     5.7
   56   0   1   5  23.377  46.753  1.94137       18.5      4.0      3.9     5.7
   57   3   1  -4  23.419  46.837  1.93807       10.3      2.2      2.2     5.7
   58   1   5  -2  24.139  48.279  1.88352        5.2      1.1      1.1     5.7
   59   5   2   1  24.211  48.421  1.8783        40.9      8.8      8.7     5.7
   60   5   2  -1  24.474  48.947  1.85935        8.1      1.8      1.7     5.7
   61   5   1  -2  24.744  49.487  1.84031        5.3      1.1      1.1     5.7
   62   1   2   5  24.938  49.875  1.82691       14.6      3.1      3.1     5.7
   63   4   4   0  24.974  49.948  1.8244        60.2     13.0     12.8     5.7
   64   1   2  -5  25.195  50.389  1.80946       33.2      7.2      7.0     5.8
   65   4   0   4  25.298  50.596  1.80256       17.8      3.8      3.8     5.8
   66   2   1  -5  25.371  50.741  1.79774       22.5      4.8      4.8     5.8
   67   0   4   4  25.45   50.899  1.79252       13.0      2.8      2.7     5.8
   68   3   5   0  25.672  51.343  1.77806       29.5      6.4      6.2     5.8
   69   4   3   3  25.886  51.771  1.76437       16.1      3.5      3.4     5.8
   70   0   5   3  25.935  51.869  1.76126       66.2     14.3     14.0     5.8
   71   3   3   4  26.089  52.178  1.75156       57.4     12.4     12.1     5.8
   72   3   4  -3  26.3    52.601  1.73847        6.2      1.3      1.3     5.8
   73   4   3  -3  26.484  52.967  1.7273        19.5      4.2      4.1     5.8
   74   4   4   2  26.552  53.104  1.72317       30.9      6.7      6.5     5.8
   75   3   3  -4  26.684  53.368  1.71528       39.5      8.5      8.3     5.8
   76   6   0   0  26.882  53.763  1.7036        64.0     13.8     13.5     5.8
   77   1   6   1  27.138  54.277  1.68869       12.1      2.6      2.6     5.8
   78   1   6  -1  27.187  54.374  1.6859        16.9      3.7      3.6     5.8
   79   2   4  -4  27.284  54.568  1.68037       21.3      4.6      4.5     5.8
   80   5   3   2  27.415  54.831  1.67293        9.1      2.0      1.9     5.8
   81   5   2   3  27.51   55.021  1.6676         4.8      1.0      1.0     5.8
   82   3   5  -2  27.559  55.118  1.66489        9.2      2.0      1.9     5.8
   83   0   0   6  27.891  55.782  1.64663       30.6      6.6      6.4     5.8
   84   3   2   5  27.955  55.911  1.64315       21.0      4.5      4.4     5.8
   85   2   3   5  28.0    55.999  1.64076       10.6      2.3      2.2     5.8
   86   0   6   2  28.039  56.078  1.63865       10.7      2.3      2.3     5.8
   87   2   3  -5  28.473  56.946  1.6157         9.9      2.1      2.1     5.8
   88   1   1   6  28.515  57.031  1.61351       21.4      4.6      4.5     5.8
   89   3   2  -5  28.664  57.329  1.60582        7.0      1.5      1.5     5.8
   90   5   4  -1  29.144  58.288  1.58167        6.3      1.4      1.3     5.8
   91   1   5  -4  29.393  58.786  1.56946        9.9      2.1      2.1     5.8
   92   4   1   5  29.428  58.855  1.56776        6.4      1.4      1.3     5.8
   93   1   4  -5  29.786  59.571  1.55062        9.0      1.9      1.9     5.8
   94   3   6   1  30.185  60.371  1.53199       18.4      4.0      3.8     5.8
   95   4   1  -5  30.341  60.683  1.52485       40.5      8.7      8.5     5.8
   96   1   6   3  30.396  60.791  1.52239       14.3      3.1      3.0     5.8
   97   6   1   3  30.553  61.106  1.51529       21.0      4.5      4.4     5.8
   98   6   3  -1  30.771  61.542  1.5056         8.0      1.7      1.7     5.8
   99   3   1   6  31.255  62.51   1.4846         6.3      1.4      1.3     5.8
  100   6   1  -3  31.359  62.717  1.48019       24.6      5.3      5.1     5.8
  101   1   3   6  31.41   62.82   1.47802       31.0      6.7      6.5     5.9
  102   1   7   0  31.522  63.044  1.47331        6.9      1.5      1.4     5.9
  103   3   5   4  31.999  63.998  1.45362        6.0      1.3      1.2     5.9
  104   3   1  -6  32.05   64.101  1.45154        8.4      1.8      1.7     5.9
  105   7   1   0  32.185  64.371  1.4461        12.2      2.6      2.5     5.9
  106   4   3   5  32.273  64.545  1.44261       21.1      4.6      4.4     5.9
  107   4   5  -3  32.347  64.693  1.43967       10.6      2.3      2.2     5.9
  108   3   5  -4  32.524  65.047  1.43269        9.4      2.0      1.9     5.9
  109   6   4   0  32.699  65.397  1.42586       44.3      9.6      9.2     5.9
  110   5   3  -4  32.915  65.831  1.41752        6.8      1.5      1.4     5.9
  111   2   7   1  32.946  65.892  1.41635        5.2      1.1      1.1     5.9
  112   1   7  -2  33.107  66.215  1.41022        8.0      1.7      1.7     5.9
  113   3   6   3  33.171  66.343  1.40782       10.3      2.2      2.1     5.9
  114   4   0   6  33.3    66.6    1.40301        4.7      1.0      1.0     5.9
  115   6   3   3  33.343  66.685  1.40142        4.8      1.0      1.0     5.9
  116   3   6  -3  33.558  67.116  1.39346        8.9      1.9      1.8     5.9
  117   0   4   6  33.599  67.199  1.39195       51.9     11.2     10.7     5.9
  118   3   3   6  34.013  68.025  1.37703       13.2      2.8      2.7     5.9
  119   6   3  -3  34.112  68.224  1.37351       15.7      3.4      3.2     5.9
  120   4   0  -6  34.324  68.649  1.36604        6.5      1.4      1.3     5.9
  121   3   7   0  34.375  68.749  1.36429        5.6      1.2      1.2     5.9
  122   0   7   3  34.595  69.191  1.35666        6.0      1.3      1.2     5.9
  123   5   2  -5  34.72   69.439  1.35241        5.6      1.2      1.2     5.9
  124   3   3  -6  34.775  69.55   1.35053       12.2      2.6      2.5     5.9
  125   7   3   0  34.905  69.809  1.34615       34.8      7.5      7.2     5.9
  126   2   1  -7  35.114  70.227  1.33916        6.2      1.3      1.3     5.9
  127   2   4  -6  35.249  70.498  1.33467       10.9      2.3      2.2     5.9
  128   3   7   2  35.73   71.461  1.31904        7.4      1.6      1.5     5.9
  129   2   7   3  35.851  71.702  1.31519       12.3      2.7      2.5     5.9
  130   3   7  -2  35.98   71.96   1.31112       11.4      2.5      2.3     5.9
  131   0   3   7  36.092  72.184  1.3076        20.2      4.3      4.1     5.9
  132   7   2   3  36.126  72.252  1.30652       28.0      6.0      5.7     5.9
  133   0   8   0  36.247  72.495  1.30275       24.0      5.2      4.9     5.9
  134   1   6  -5  36.632  73.264  1.29096        7.4      1.6      1.5     6.0
  135   7   3  -2  36.665  73.329  1.28997        8.7      1.9      1.8     6.0
  136   1   5   6  36.811  73.621  1.28558       13.2      2.8      2.7     6.0
  137   1   8   1  36.931  73.861  1.28199        5.3      1.2      1.1     6.0
  138   7   2  -3  36.992  73.985  1.28015       11.7      2.5      2.4     6.0
  139   3   2   7  37.083  74.166  1.27747        9.2      2.0      1.9     6.0
  140   5   5   4  37.4    74.8    1.26821        5.7      1.2      1.2     6.0
  141   4   5   5  37.613  75.226  1.26207       18.9      4.1      3.9     6.0
  142   2   3  -7  37.735  75.47   1.25861        6.6      1.4      1.3     6.0
  143   5   1  -6  37.856  75.712  1.25519        5.0      1.1      1.0     6.0
  144   3   2  -7  37.941  75.883  1.25278       22.4      4.8      4.6     6.0
  145   4   1   7  38.324  76.648  1.24218       20.0      4.3      4.1     6.0
  146   4   4   6  38.576  77.153  1.2353         6.6      1.4      1.3     6.0
  147   6   5   3  38.617  77.233  1.23421       14.0      3.0      2.8     6.0
  148   7   1  -4  38.682  77.365  1.23244        6.0      1.3      1.2     6.0
  149   3   6   5  38.913  77.826  1.22629        6.5      1.4      1.3     6.0
  150   3   5   6  39.249  78.498  1.21746       11.7      2.5      2.4     6.0
  151   6   5  -3  39.343  78.686  1.21502       28.3      6.1      5.7     6.0
  152   3   6  -5  39.517  79.035  1.21054        8.3      1.8      1.7     6.0
  153   1   8   3  39.754  79.509  1.20451        7.6      1.6      1.5     6.0
  154   6   0   6  39.866  79.731  1.20171        5.4      1.2      1.1     6.0
  155   3   5  -6  39.973  79.945  1.19903        8.1      1.8      1.6     6.0
  156   7   5   0  40.096  80.192  1.19596        7.9      1.7      1.6     6.0
  157   5   3  -6  40.414  80.828  1.18814       12.7      2.7      2.6     6.1
  158   6   6   2  40.47   80.941  1.18677        5.5      1.2      1.1     6.1
  159   5   7   2  41.005  82.011  1.17398        6.2      1.3      1.3     6.1
  160   6   0  -6  41.304  82.608  1.167          9.5      2.0      1.9     6.1
  161   4   8   0  41.581  83.161  1.16063        7.9      1.7      1.6     6.1
  162   2   7  -5  41.888  83.776  1.15367        7.7      1.7      1.5     6.1
  163   2   5  -7  42.818  85.636  1.13331       11.5      2.5      2.3     6.1
  164   6   5   5  44.005  88.009  1.10877        4.9      1.0      1.0     6.2
  165   7   1   6  44.317  88.635  1.10255       12.5      2.7      2.5     6.2
  166   9   2  -1  44.485  88.97   1.09926        4.9      1.1      1.0     6.2
  167   3   9   0  44.632  89.264  1.09641        7.1      1.5      1.4     6.2
  168   0   9   3  44.838  89.676  1.09243       10.8      2.3      2.1     6.2
  169   6   4   6  44.901  89.801  1.09123        8.0      1.7      1.6     6.2

Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)