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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SCHUILINGITE_ND

1

PbCuNd[CO(3)](3)(OH).1.5H(2)O


Orthorhombic  P 2(1)cn  Z = 4

R =0.038          NR =1094

14 .11 .1901

Ref.Str.:

         M.Shindler, F.C. Hawthorne (1999)

         * Canad. Mineral., 37, 1463-1470

Reserv:

         In original - schuilingite[1].   There are U(iso) in the article. D.T.N.

                   Initial data from BDM-file 

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

             a =   7.419    alpha =   90.0 
             b =  18.859    beta  =   90.0 
             c =   6.395    gamma =   90.0 

    Unit cell volume (cub. angs.) =   894.76

    Molar volume ( cub.cm/mol.) =   134.74

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

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

   1 0.5     0.8602  0.382    0.0    Pb    = 1.00
   2 0.0011  0.6921  0.102    0.0    Nd    = 1.00
   3 0.2934  0.5587  0.3115   0.0    Cu    = 1.00
   4 0.159   0.84    0.108    0.0    C     = 1.00
   5 0.67    0.783   0.823    0.0    C     = 1.00
   6 0.933   0.542   0.012    0.0    C     = 1.00
   7 0.251   0.8955  0.082    0.0    O     = 1.00
   8 0.047   0.8172  0.974    0.0    O     = 1.00
   9 0.186   0.8038  0.276    0.0    O     = 1.00
  10 0.697   0.8401  0.72     0.0    O     = 1.00
  11 0.523   0.772   0.919    0.0    O     = 1.00
  12 0.796   0.7346  0.819    0.0    O     = 1.00
  13 0.008   0.5539  0.191    0.0    O     = 1.00
  14 0.905   0.5944  0.885    0.0    O     = 1.00
  15 0.902   0.477   0.949    0.0    O     = 1.00
  16 0.304   0.6517  0.166    0.0    O     = 1.00
  17 0.294   0.033   0.955    0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.5        0.8602     0.382 
     2       2     0.0011     0.6921     0.102 
     3       3     0.2934     0.5587     0.3115
     4       4     0.159      0.84       0.108 
     5       5     0.67       0.783      0.823 
     6       6     0.933      0.542      0.012 
     7       7     0.251      0.8955     0.082 
     8       8     0.047      0.8172     0.974 
     9       9     0.186      0.8038     0.276 
    10      10     0.697      0.8401     0.72  
    11      11     0.523      0.772      0.919 
    12      12     0.796      0.7346     0.819 
    13      13     0.008      0.5539     0.191 
    14      14     0.905      0.5944     0.885 
    15      15     0.902      0.477      0.949 
    16      16     0.304      0.6517     0.166 
    17      17     0.294      0.033      0.955 
    18       1     0.0        0.1398     0.618 
    19       2     0.5011     0.3079     0.898 
    20       3     0.7934     0.4413     0.6885
    21       4     0.659      0.16       0.892 
    22       5     0.17       0.217      0.177 
    23       6     0.433      0.458      0.988 
    24       7     0.751      0.1045     0.918 
    25       8     0.547      0.1828     0.026 
    26       9     0.686      0.1962     0.724 
    27      10     0.197      0.1599     0.28  
    28      11     0.023      0.228      0.081 
    29      12     0.296      0.2654     0.181 
    30      13     0.508      0.4461     0.809 
    31      14     0.405      0.4056     0.115 
    32      15     0.402      0.523      0.051 
    33      16     0.804      0.3483     0.834 
    34      17     0.794      0.967      0.045 
    35       1     0.0        0.3602     0.118 
    36       2     0.5011     0.1921     0.398 
    37       3     0.7934     0.0587     0.1885
    38       4     0.659      0.34       0.392 
    39       5     0.17       0.283      0.677 
    40       6     0.433      0.042      0.488 
    41       7     0.751      0.3955     0.418 
    42       8     0.547      0.3172     0.526 
    43       9     0.686      0.3038     0.224 
    44      10     0.197      0.3401     0.78  
    45      11     0.023      0.272      0.581 
    46      12     0.296      0.2346     0.681 
    47      13     0.508      0.0539     0.309 
    48      14     0.405      0.0944     0.615 
    49      15     0.402      0.977      0.551 
    50      16     0.804      0.1517     0.334 
    51      17     0.794      0.533      0.545 
    52       1     0.5        0.6398     0.882 
    53       2     0.0011     0.8079     0.602 
    54       3     0.2934     0.9413     0.8115
    55       4     0.159      0.66       0.608 
    56       5     0.67       0.717      0.323 
    57       6     0.933      0.958      0.512 
    58       7     0.251      0.6045     0.582 
    59       8     0.047      0.6828     0.474 
    60       9     0.186      0.6962     0.776 
    61      10     0.697      0.6599     0.22  
    62      11     0.523      0.728      0.419 
    63      12     0.796      0.7654     0.319 
    64      13     0.008      0.9461     0.691 
    65      14     0.905      0.9056     0.385 
    66      15     0.902      0.023      0.449 
    67      16     0.304      0.8483     0.666 
    68      17     0.294      0.467      0.455 


X-ray density (g/cm cub.)   =      4.65

MU (1/cm) =    1146.324    Mass attenuation coefficient (cm**2/g) =    246.36 

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

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

    1    Pb                  3.144        8
                                                 2.7453       7
                                                 2.6491       9
                                                 2.6367      10
                                                 2.559       15
                                                 2.5102      11
                                                 2.8603      12
                                                 3.1244      14
                                                 2.3374      16
    2    Nd                  2.82        10
                                                 2.5203       8
                                                 2.7491       9
                                                 2.4966      12
                                                 2.6682      13
                                                 2.4143      14
                                                 2.4079      16
                                                 2.4096       8
                                                 2.4968       9
                                                 2.4553      10
                                                 2.4803      12
    3    Cu                  2.808        5
                                                 2.2551      13
                                                 1.987       16
                                                 1.9692      15
                                                 1.9589       7
                                                 1.9578      17
    4    C                   1.872        3
                                                 1.2606       7
                                                 1.2687       8
                                                 1.2886       9
    5    C                   1.872        3
                                                 1.2781      10
                                                 1.2686      11
                                                 1.3068      12
    6    C                   1.872        3
                                                 1.2924      13
                                                 1.2959      14
                                                 1.3107      15
    7    O                   3.264        7
                                                 2.2244       8
                                                 2.1823       9
                                                 3.2532      11
                                                 2.736       17
                                                 3.2269      13
                                                 3.2218      14
                                                 2.8327      16
    8    O                   3.264        8
                                                 2.2244       7
                                                 2.2039       9
                                                 3.0931      10
                                                 2.6224      12
                                                 2.8061       9
                                                 3.0479      12
                                                 3.0444      13
                                                 2.8034      16
    9    O                   3.264        8
                                                 2.1823       7
                                                 2.2039       8
                                                 3.0805      16
                                                 2.8061       8
                                                 3.0217      11
                                                 2.9953      12
                                                 2.9185      14
                                                 2.7733      16
   10    O                   3.264        9
                                                 3.0931       8
                                                 2.2216      11
                                                 2.2133      12
                                                 3.2504      17
                                                 3.137       11
                                                 3.0167      12
                                                 3.0585      13
                                                 2.9149      14
                                                 2.9401      16
   11    O                   3.264        7
                                                 3.2532       7
                                                 2.2216      10
                                                 2.238       12
                                                 3.2066      16
                                                 3.0217       9
                                                 3.137       10
                                                 2.707       16
   12    O                   3.264        9
                                                 2.6224       8
                                                 2.2133      10
                                                 2.238       11
                                                 2.797       14
                                                 3.0479       8
                                                 2.9953       9
                                                 3.0167      10
                                                 3.2498      12
                                                 3.2498      12
   13    O                   3.264        9
                                                 2.2353      14
                                                 2.262       15
                                                 2.8723      16
                                                 3.1122      15
                                                 2.793       17
                                                 3.2269       7
                                                 3.0444       8
                                                 3.0585      10
                                                 3.1683      17
   14    O                   3.264        7
                                                 2.797       12
                                                 2.2353      13
                                                 2.2517      15
                                                 2.5974      17
                                                 3.2218       7
                                                 2.9185       9
                                                 2.9149      10
   15    O                   3.264        5
                                                 2.262       13
                                                 2.2517      14
                                                 3.1122      13
                                                 2.6383      16
                                                 2.9038      17
   16    O                   3.264        9
                                                 3.0805       9
                                                 3.2066      11
                                                 2.8723      13
                                                 2.6383      15
                                                 2.8327       7
                                                 2.8034       8
                                                 2.7733       9
                                                 2.9401      10
                                                 2.707       11
   17    O                   3.264        6
                                                 2.736        7
                                                 3.2504      10
                                                 2.793       13
                                                 2.5974      14
                                                 2.9038      15
                                                 3.1683      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   0   2   0  5.443  10.886   0.053  219.3     2      186.9     1914.6
    2   1   1   0  7.444  14.888   0.072  116.2     4       44.1      112.7
    3   0   1   1  8.493  16.986   0.083   88.75    4      190.5     1608.4
    4   0   2   1  9.73   19.459   0.094   67.1     4       34.2       39.3
    5   1   3   0 10.748  21.497   0.104   54.6     4      247.5     1671.3
    6   0   4   0 10.936  21.872   0.106   52.67    2      224.3      661.7
    7   1   1   1 10.991  21.982   0.107   52.12    8      163.9     1399.0
    8   0   3   1 11.509  23.018   0.112   47.35    4      314.4     2338.8
    9   1   2   1 11.982  23.963   0.116   43.53    8      113.0      555.8
   10   1   3   1 13.481  26.961   0.13    33.96    8      270.5     2483.2
   11   0   4   1 13.633  27.266   0.132   33.16    4       38.3       24.3
   12   2   0   0 13.953  27.906   0.135   31.56    2      381.7     1149.0
   13   2   2   0 15.018  30.035   0.145   26.98    4      275.5     1022.9
   14   1   4   1 15.352  30.704   0.148   25.73    8       52.9       71.9
   15   1   5   0 15.428  30.857   0.149   25.46    4      215.5      590.5
   16   0   5   1 15.981  31.962   0.154   23.6     4       80.2       75.8
   17   0   0   2 16.245  32.489   0.156   22.78    2       19.1        2.1
   18   2   1   1 16.425  32.85    0.158   22.24    8      283.1     1781.4
   19   0   1   2 16.483  32.966   0.159   22.07    4       84.3       78.3
   20   0   6   0 16.533  33.067   0.159   21.93    2      232.1      295.0
   21   2   2   1 17.125  34.25    0.165   20.31    8      157.3      502.5
   22   0   2   2 17.18   34.361   0.165   20.17    4       33.7       11.5
   23   1   5   1 17.491  34.982   0.168   19.4     8       62.2       75.1
   24   1   0   2 17.735  35.47    0.17    18.82    4      499.8     2349.2
   25   2   4   0 17.867  35.735   0.172   18.52    4      215.6      430.0
   26   1   1   2 17.956  35.911   0.172   18.32    8       50.0       45.8
   27   2   3   1 18.238  36.477   0.175   17.7     8      251.6     1119.4
   28   0   3   2 18.291  36.582   0.175   17.59    4      205.2      369.9
   29   0   6   1 18.487  36.974   0.177   17.18    4      350.3     1053.2
   30   1   2   2 18.605  37.21    0.178   16.94    8      209.7      744.5
   31   1   3   2 19.646  39.292   0.188   15.02    8       76.7       88.4
   32   2   4   1 19.706  39.412   0.188   14.92    8      111.8      186.2
   33   0   4   2 19.755  39.51    0.189   14.84    4        0.2        0.0
   34   1   6   1 19.83   39.661   0.19    14.71    8      321.9     1523.2
   35   1   7   0 20.684  41.368   0.197   13.39    4      232.0      360.0
   36   1   4   2 21.03   42.06    0.201   12.91    8      208.2      558.9
   37   0   7   1 21.116  42.233   0.201   12.79    4      163.6      171.0
   38   3   1   0 21.394  42.789   0.204   12.42    4       29.3        5.3
   39   2   5   1 21.468  42.936   0.205   12.32    8       42.8       22.5
   40   0   5   2 21.514  43.028   0.205   12.26    4      106.6       69.6
   41   2   0   2 21.674  43.347   0.206   12.06    4      196.4      232.5
   42   2   1   2 21.861  43.721   0.208   11.83    8       52.3       32.3
   43   2   6   0 21.9    43.801   0.209   11.78    4      287.4      486.4
   44   0   8   0 22.298  44.597   0.212   11.31    2      109.4       33.8
   45   1   7   1 22.327  44.655   0.212   11.28    8      153.2      264.5
   46   2   2   2 22.415  44.829   0.213   11.18    8       73.2       59.8
   47   1   5   2 22.708  45.416   0.216   10.86    8       80.3       70.0
   48   3   3   0 22.872  45.744   0.217   10.68    4      148.8      118.2
   49   3   1   1 22.997  45.994   0.218   10.55    8      282.4      841.0
   50   2   3   2 23.315  46.629   0.221   10.23    8      190.5      370.9
   51   2   6   1 23.475  46.951   0.223   10.07    8      241.2      585.4
   52   0   6   2 23.518  47.037   0.223   10.03    4       88.4       39.2
   53   3   2   1 23.53   47.06    0.223   10.02    8       93.6       87.6
   54   0   8   1 23.853  47.706   0.226    9.71    4       68.3       22.6
   55   3   3   1 24.398  48.796   0.231    9.23    8      279.3      719.4
   56   2   4   2 24.532  49.063   0.232    9.11    8       17.0        2.6
   57   1   6   2 24.636  49.273   0.233    9.03    8      220.0      436.4
   58   1   8   1 24.96   49.919   0.236    8.76    8      221.7      430.6
   59   0   1   3 24.978  49.957   0.236    8.75    4       83.4       30.4
   60   0   2   3 25.48   50.96    0.24     8.36    4      159.5      106.2
   61   3   4   1 25.576  51.152   0.241    8.29    8       86.4       61.8
   62   3   5   0 25.626  51.253   0.242    8.25    4      247.1      251.8
   63   2   7   1 25.69   51.381   0.242    8.21    8       91.7       68.9
   64   0   7   2 25.731  51.461   0.243    8.18    4      207.1      175.2
   65   2   5   2 26.034  52.067   0.245    7.96    8      299.7      714.5
   66   1   1   3 26.05   52.1     0.245    7.95    8      174.4      241.5
   67   0   3   3 26.3    52.6     0.248    7.78    4      282.8      310.7
   68   1   9   0 26.331  52.662   0.248    7.76    4      482.1      901.0
   69   1   2   3 26.537  53.073   0.25     7.62    8       91.8       64.2
   70   0   9   1 26.692  53.384   0.251    7.52    4        9.6        0.3
   71   2   8   0 26.716  53.432   0.251    7.51    4       64.9       15.8
   72   1   7   2 26.78   53.561   0.252    7.46    8       97.3       70.7
   73   3   5   1 27.036  54.073   0.254    7.3     8       66.7       32.5
   74   3   0   2 27.209  54.419   0.256    7.2     4      427.1      656.2
   75   1   3   3 27.334  54.669   0.257    7.12    8      347.2      858.2
   76   3   1   2 27.368  54.735   0.257    7.1     8       14.9        1.6
   77   0   4   3 27.419  54.839   0.257    7.07    4      173.6      106.5
   78   1   9   1 27.716  55.432   0.26     6.9     8       83.8       48.4
   79   2   6   2 27.79   55.581   0.261    6.86    8       51.6       18.2
   80   3   2   2 27.838  55.677   0.261    6.83    8      230.6      363.2
   81   2   8   1 28.088  56.175   0.263    6.7     8      190.3      242.4
   82   0   8   2 28.125  56.251   0.264    6.68    4       46.4        7.2
   83   0  10   0 28.313  56.626   0.265    6.58    2      155.1       39.5
   84   1   4   3 28.426  56.852   0.266    6.52    8      111.0       80.3
   85   3   3   2 28.612  57.223   0.268    6.42    8      110.4       78.2
   86   3   6   1 28.751  57.502   0.269    6.35    8      268.5      457.7
   87   0   5   3 28.815  57.63    0.269    6.32    4       40.4        5.1
   88   4   0   0 28.833  57.665   0.27     6.31    2      522.6      430.7
   89   2   1   3 29.096  58.192   0.272    6.18    8      185.1      211.8
   90   1   8   2 29.116  58.232   0.272    6.17    8       91.5       51.7
   91   3   7   0 29.404  58.808   0.274    6.04    4      252.8      192.9
   92   4   2   0 29.439  58.878   0.275    6.02    4      166.0       82.9
   93   2   2   3 29.549  59.097   0.276    5.97    8       41.5       10.3
   94   0  10   1 29.636  59.271   0.276    5.93    4      200.9      119.6
   95   3   4   2 29.672  59.345   0.277    5.92    8      214.4      271.9
   96   2   7   2 29.776  59.552   0.278    5.87    8      213.0      266.3
   97   1   5   3 29.791  59.581   0.278    5.86    8      109.5       70.3
   98   4   1   1 30.289  60.578   0.282    5.65    8      137.5      106.7
   99   2   3   3 30.294  60.588   0.282    5.65    8      154.9      135.5
  100   0   6   3 30.464  60.929   0.283    5.58    4      322.3      289.5
  101   1  10   1 30.595  61.19    0.285    5.53    8      169.8      159.2
  102   2   9   1 30.652  61.303   0.285    5.5     8       62.6       21.6
  103   0   9   2 30.687  61.375   0.285    5.49    4      356.6      348.8
  104   3   7   1 30.697  61.394   0.285    5.49    8       68.0       25.3
  105   4   2   1 30.731  61.462   0.286    5.47    8       88.3       42.6
  106   3   5   2 31.003  62.006   0.288    5.37    8       55.4       16.5
  107   4   4   0 31.213  62.427   0.29     5.29    4      206.1      112.2
  108   2   4   3 31.32   62.639   0.291    5.25    8       65.4       22.5
  109   1   6   3 31.409  62.817   0.291    5.21    8      237.5      294.0
  110   4   3   1 31.46   62.919   0.292    5.2     8      297.7      460.1
  111   1   9   2 31.628  63.256   0.293    5.14    8       84.8       36.9
  112   2   8   2 31.971  63.942   0.296    5.02    8       96.6       46.8
  113   2  10   0 32.145  64.29    0.297    4.96    4       57.0        8.0
  114   0   7   3 32.348  64.697   0.299    4.89    4      180.6       79.7
  115   1  11   0 32.376  64.751   0.299    4.88    4      188.6       86.8
  116   4   4   1 32.464  64.928   0.3      4.85    8       65.4       20.7
  117   3   6   2 32.586  65.172   0.301    4.81    8      234.7      265.0
  118   2   5   3 32.611  65.222   0.301    4.81    8       22.4        2.4
  119   0  11   1 32.693  65.386   0.302    4.78    4       61.8        9.1
  120   3   8   1 32.857  65.714   0.303    4.73    8      124.4       73.1
  121   1   7   3 33.263  66.526   0.307    4.61    8      110.9       56.6
  122   2  10   1 33.377  66.753   0.308    4.57    8       93.4       39.8
  123   0  10   2 33.411  66.822   0.308    4.56    4      100.1       22.9
  124   1  11   1 33.603  67.206   0.309    4.51    8      103.9       48.7
  125   4   5   1 33.732  67.464   0.31     4.47    8       78.3       27.4
  126   3   1   3 33.78   67.56    0.311    4.46    8      162.5      117.6
  127   4   0   2 33.884  67.768   0.312    4.43    4       46.1        4.7
  128   0   0   4 34.019  68.039   0.313    4.39    2      369.5      149.9
  129   3   9   0 34.021  68.041   0.313    4.39    4      418.7      384.9
  130   4   1   2 34.023  68.046   0.313    4.39    8       50.8       11.3
  131   4   6   0 34.053  68.105   0.313    4.38    4      187.2       76.8
  132   2   6   3 34.154  68.308   0.314    4.36    8      316.6      436.5
  133   0   1   4 34.158  68.317   0.314    4.36    4       85.5       15.9
  134   3   2   3 34.197  68.394   0.314    4.35    8      133.5       77.4
  135   1  10   2 34.311  68.622   0.315    4.32    8      110.0       52.2
  136   2   9   2 34.364  68.728   0.316    4.3     8      411.0      726.4
  137   3   7   2 34.407  68.814   0.316    4.29    8       62.3       16.6
  138   4   2   2 34.439  68.878   0.316    4.28    8      108.5       50.4
  139   0   8   3 34.452  68.904   0.316    4.28    4      187.5       75.2
  140   0   2   4 34.573  69.146   0.317    4.25    4      155.6       51.4
  141   0  12   0 34.691  69.381   0.318    4.22    2      189.5       37.9
  142   3   3   3 34.887  69.774   0.32     4.17    8      293.4      358.8
  143   1   0   4 34.912  69.824   0.32     4.17    4      130.7       35.6
  144   1   1   4 35.049  70.098   0.321    4.13    8       67.2       18.6
  145   4   3   2 35.127  70.253   0.322    4.11    8      173.5      123.8
  146   3   9   1 35.219  70.439   0.322    4.09    8      122.5       61.4
  147   4   6   1 35.251  70.502   0.323    4.09    8      259.9      275.8
  148   0   3   4 35.26   70.52    0.323    4.08    4       14.3        0.4
  149   1   8   3 35.34   70.679   0.323    4.07    8      122.9       61.3
  150   1   2   4 35.459  70.919   0.324    4.04    8      145.3       85.2
  151   3   4   3 35.843  71.685   0.327    3.95    8       82.8       27.1
  152   0  12   1 35.879  71.759   0.328    3.95    4      108.3       23.1
  153   2   7   3 35.936  71.873   0.328    3.93    8       44.3        7.7
  154   4   4   2 36.08   72.159   0.329    3.9     8       24.3        2.3
  155   1   3   4 36.139  72.277   0.33     3.89    8      159.1       98.3
  156   0   4   4 36.211  72.423   0.33     3.88    4      227.9      100.6
  157   2  11   1 36.265  72.53    0.331    3.86    8       92.4       33.0
  158   0  11   2 36.298  72.595   0.331    3.86    4      193.8       72.4
  159   3   8   2 36.454  72.907   0.332    3.83    8       90.6       31.4
  160   1  12   1 36.752  73.504   0.334    3.77    8      237.0      211.5
  161   0   9   3 36.767  73.534   0.335    3.76    4       40.6        3.1
  162   2  10   2 36.95   73.9     0.336    3.73    8       37.9        5.4
  163   4   7   1 37.01   74.021   0.336    3.72    8      126.1       59.0
  164   3   5   3 37.056  74.113   0.337    3.71    8       84.2       26.3
  165   1   4   4 37.081  74.162   0.337    3.7     8       36.4        4.9
  166   1  11   2 37.167  74.333   0.338    3.69    8       34.5        4.4
  167   5   1   0 37.206  74.412   0.338    3.68    4       74.0       10.1
  168   4   5   2 37.29   74.581   0.339    3.67    8      168.9      104.5
  169   0   5   4 37.42   74.841   0.34     3.64    4      137.0       34.2
  170   2   0   4 37.533  75.067   0.341    3.62    4      363.2      238.8
  171   1   9   3 37.632  75.264   0.341    3.61    8       58.0       12.1
  172   2   1   4 37.667  75.333   0.342    3.6     8       25.4        2.3
  173   3  10   1 37.781  75.562   0.342    3.58    8      132.7       63.0
  174   4   8   0 37.852  75.704   0.343    3.57    4       67.7        8.2
  175   2   8   3 37.949  75.898   0.344    3.55    8      148.4       78.2
  176   2   2   4 38.066  76.131   0.345    3.53    8      146.4       75.7
  177   2  12   0 38.179  76.358   0.346    3.51    4      147.8       38.4
  178   5   3   0 38.271  76.542   0.346    3.5     4      267.0      124.7
  179   1   5   4 38.28   76.56    0.346    3.5     8      178.1      110.9
  180   5   1   1 38.363  76.727   0.347    3.49    8       62.9       13.8
  181   3   6   3 38.52   77.041   0.348    3.46    8      117.2       47.5
  182   3   9   2 38.721  77.441   0.35     3.43    8       85.9       25.3
  183   2   3   4 38.728  77.455   0.35     3.43    8      127.0       55.3
  184   4   6   2 38.751  77.503   0.35     3.43    8       75.2       19.3
  185   5   2   1 38.76   77.52    0.35     3.42    8       81.9       22.9
  186   0   6   4 38.88   77.76    0.351    3.41    4      160.5       43.9
  187   1  13   0 38.921  77.842   0.351    3.4     4      254.1      109.7
  188   4   8   1 39.003  78.006   0.352    3.39    8      110.7       41.5
  189   0  13   1 39.216  78.431   0.353    3.36    4       47.8        3.8
  190   0  10   3 39.291  78.582   0.354    3.35    4      139.6       32.6
  191   2  12   1 39.327  78.654   0.354    3.34    8      301.0      302.8
  192   0  12   2 39.359  78.718   0.355    3.34    4       19.1        0.6
  193   3  11   0 39.407  78.815   0.355    3.33    4       93.3       14.5
  194   5   3   1 39.418  78.837   0.355    3.33    8      204.7      139.5
  195   2   4   4 39.649  79.298   0.357    3.3     8      189.7      118.7
  196   1   6   4 39.729  79.459   0.357    3.29    8       90.5       26.9
  197   2  11   2 39.733  79.465   0.357    3.29    8      118.8       46.4
  198   4   1   3 39.867  79.734   0.358    3.27    8      105.5       36.4
  199   1  13   1 40.063  80.126   0.36     3.25    8       56.4       10.3
  200   1  10   3 40.138  80.277   0.36     3.24    8      124.7       50.3
  201   2   9   3 40.189  80.377   0.361    3.23    8      102.2       33.7
  202   1  12   2 40.206  80.412   0.361    3.23    8      177.7      101.9
  203   3   7   3 40.229  80.458   0.361    3.23    8      146.4       69.1
  204   4   2   3 40.259  80.519   0.361    3.22    8       99.3       31.8
  205   5   4   1 40.335  80.67    0.362    3.21    8       42.3        5.7
  206   5   5   0 40.375  80.75    0.362    3.21    4      149.5       35.8
  207   4   7   2 40.457  80.915   0.363    3.2     8      130.3       54.3
  208   3  11   1 40.546  81.092   0.363    3.19    8      144.4       66.5
  209   0   7   4 40.584  81.169   0.364    3.18    4      112.7       20.2
  210   2   5   4 40.825  81.65    0.365    3.16    8      120.2       45.6
  211   4   3   3 40.911  81.823   0.366    3.15    8      186.0      108.8
  212   3  10   2 41.209  82.417   0.368    3.12    8       41.9        5.5
  213   4   9   1 41.227  82.454   0.368    3.11    8       49.5        7.6
  214   1   7   4 41.425  82.851   0.37     3.09    8      116.0       41.6
  215   5   5   1 41.507  83.014   0.37     3.09    8       28.4        2.5
  216   0  14   0 41.606  83.212   0.371    3.08    2      163.3       20.5
  217   5   0   2 41.649  83.297   0.371    3.07    4      449.4      309.9
  218   3   0   4 41.775  83.55    0.372    3.06    4      149.9       34.4
  219   5   1   2 41.778  83.557   0.372    3.06    8       41.2        5.2
  220   4   4   3 41.821  83.642   0.373    3.05    8      129.3       51.0
  221   3   1   4 41.905  83.809   0.373    3.05    8       66.9       13.6
  222   0  11   3 42.03   84.06    0.374    3.04    4       43.9        2.9
  223   5   2   2 42.167  84.334   0.375    3.02    8       78.1       18.4
  224   3   8   3 42.18   84.359   0.375    3.02    8       82.3       20.4
  225   2   6   4 42.253  84.507   0.376    3.02    8      185.1      103.2
  226   3   2   4 42.293  84.587   0.376    3.01    8       47.1        6.7
  227   4   8   2 42.406  84.812   0.377    3.0     8       24.2        1.8
  228   0   8   4 42.532  85.064   0.378    2.99    4       73.9        8.2
  229   4  10   0 42.563  85.126   0.378    2.99    4      129.5       25.0
  230   2  13   1 42.583  85.166   0.378    2.99    8       84.8       21.4
  231   0  13   2 42.615  85.229   0.378    2.98    4      270.2      108.9
  232   2  10   3 42.657  85.315   0.379    2.98    8      171.4       87.5
  233   2  12   2 42.724  85.448   0.379    2.98    8       25.1        1.9
  234   0  14   1 42.732  85.465   0.379    2.98    4      108.5       17.5
  235   5   3   2 42.814  85.628   0.38     2.97    8       41.9        5.2
  236   1  11   3 42.866  85.732   0.38     2.96    8       60.5       10.9
  237   5   6   1 42.932  85.863   0.381    2.96    8      281.8      234.8
  238   3   3   4 42.94   85.88    0.381    2.96    8      169.7       85.2
  239   4   5   3 42.986  85.972   0.381    2.96    8       60.2       10.7
  240   1   8   4 43.367  86.734   0.384    2.93    8       84.7       21.0
  241   1  13   2 43.45   86.899   0.384    2.92    8       76.4       17.1
  242   5   7   0 43.487  86.975   0.385    2.92    4      143.5       30.0
  243   3  12   1 43.527  87.055   0.385    2.92    8      265.4      205.3
  244   1  14   1 43.567  87.134   0.385    2.91    8       79.9       18.6
  245   4  10   1 43.686  87.373   0.386    2.9     8      177.4       91.4
  246   5   4   2 43.718  87.436   0.386    2.9     8      171.5       85.3
  247   3   4   4 43.844  87.687   0.387    2.89    8       27.1        2.1
  248   3  11   2 43.926  87.852   0.388    2.89    8       89.8       23.3
  249   2   7   4 43.933  87.866   0.388    2.89    8       57.5        9.5
  250   3   9   3 44.375  88.751   0.391    2.86    8       14.9        0.6
  251   4   6   3 44.405  88.81    0.391    2.86    8      255.1      186.0
  252   0   1   5 44.503  89.006   0.392    2.85    4      215.1       66.0
  253   4   9   2 44.601  89.201   0.393    2.85    8      374.7      399.6
  254   5   7   1 44.609  89.218   0.393    2.85    8      154.9       68.3
  255   0   9   4 44.726  89.452   0.393    2.84    4      121.9       21.1
  256   5   5   2 44.878  89.757   0.394    2.83    8       51.1        7.4
  257   0   2   5 44.89   89.78    0.395    2.83    4       88.1       11.0
  258   2  14   0 44.945  89.89    0.395    2.83    4      126.6       22.7
  259   0  12   3 45.0    90.0     0.395    2.83    4      316.4      141.5


  X-ray diffraction powder data (I)...X-Ray wave length =  1.78892 (angs.):

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

    1   0   2   0   5.443  10.886  9.4295      1914.6     77.1     77.9     5.6
    2   1   1   0   7.444  14.888  6.90399      112.7      4.5      4.6     5.6
    3   0   1   1   8.493  16.986  6.05628     1608.4     64.8     65.2     5.6
    4   0   2   1   9.73   19.459  5.29264       39.3      1.6      1.6     5.6
    5   1   3   0  10.748  21.497  4.79612     1671.3     67.3     67.6     5.6
    6   0   4   0  10.936  21.872  4.71475      661.7     26.6     26.7     5.6
    7   1   1   1  10.991  21.982  4.69158     1399.0     56.3     56.5     5.6
    8   0   3   1  11.509  23.018  4.48303     2338.8     94.2     94.5     5.6
    9   1   2   1  11.982  23.963  4.30863      555.8     22.4     22.4     5.6
   10   1   3   1  13.481  26.961  3.83693     2483.2    100.0    100.0     5.6
   11   2   0   0  13.953  27.906  3.7095      1149.0     46.3     46.2     5.6
   12   2   2   0  15.018  30.035  3.45199     1022.9     41.2     41.1     5.6
   13   1   4   1  15.352  30.704  3.37855       71.9      2.9      2.9     5.6
   14   1   5   0  15.428  30.857  3.36223      590.5     23.8     23.7     5.6
   15   0   5   1  15.981  31.962  3.24881       75.8      3.1      3.0     5.6
   16   2   1   1  16.425  32.85   3.16329     1781.4     71.7     71.4     5.6
   17   0   1   2  16.483  32.966  3.15251       78.3      3.2      3.1     5.6
   18   0   6   0  16.533  33.067  3.14317      295.0     11.9     11.8     5.6
   19   2   2   1  17.125  34.25   3.03769      502.5     20.2     20.1     5.7
   20   1   5   1  17.491  34.982  2.97598       75.1      3.0      3.0     5.7
   21   1   0   2  17.735  35.47   2.93639     2349.2     94.6     93.9     5.7
   22   2   4   0  17.867  35.735  2.91533      430.0     17.3     17.2     5.7
   23   1   1   2  17.956  35.911  2.90143       45.8      1.8      1.8     5.7
   24   2   3   1  18.238  36.477  2.85796     1119.4     45.1     44.7     5.7
   25   0   3   2  18.291  36.582  2.85001      369.9     14.9     14.8     5.7
   26   0   6   1  18.487  36.974  2.82085     1053.2     42.4     42.1     5.7
   27   1   2   2  18.605  37.21   2.8036       744.5     30.0     29.7     5.7
   28   1   3   2  19.646  39.292  2.66046       88.4      3.6      3.5     5.7
   29   2   4   1  19.706  39.412  2.65269      186.2      7.5      7.4     5.7
   30   1   6   1  19.83   39.661  2.6367      1523.2     61.3     60.7     5.7
   31   1   7   0  20.684  41.368  2.53234      360.0     14.5     14.3     5.7
   32   1   4   2  21.03   42.06   2.49251      558.9     22.5     22.2     5.7
   33   0   7   1  21.116  42.233  2.48281      171.0      6.9      6.8     5.7
   34   0   5   2  21.514  43.028  2.43902       69.6      2.8      2.8     5.7
   35   2   0   2  21.674  43.347  2.42193      232.5      9.4      9.2     5.7
   36   2   1   2  21.861  43.721  2.4022        32.3      1.3      1.3     5.7
   37   2   6   0  21.9    43.801  2.39806      486.4     19.6     19.3     5.7
   38   0   8   0  22.298  44.597  2.35737       33.8      1.4      1.3     5.7
   39   1   7   1  22.327  44.655  2.35446      264.5     10.7     10.5     5.7
   40   2   2   2  22.415  44.829  2.34579       59.8      2.4      2.4     5.7
   41   1   5   2  22.708  45.416  2.31702       70.0      2.8      2.8     5.7
   42   3   3   0  22.872  45.744  2.30133      118.2      4.8      4.7     5.7
   43   3   1   1  22.997  45.994  2.28948      841.0     33.9     33.3     5.7
   44   2   3   2  23.315  46.629  2.26         370.9     14.9     14.7     5.7
   45   2   6   1  23.475  46.951  2.24538      585.4     23.6     23.1     5.7
   46   3   2   1  23.53   47.06   2.24049      126.8      5.1      5.0     5.7
   47   3   3   1  24.398  48.796  2.16539      719.4     29.0     28.4     5.7
   48   1   6   2  24.636  49.273  2.14572      436.4     17.6     17.2     5.7
   49   1   8   1  24.96   49.919  2.11968      460.9     18.6     18.1     5.7
   50   0   2   3  25.48   50.96   2.0792       106.2      4.3      4.2     5.8
   51   3   4   1  25.576  51.152  2.07189       61.8      2.5      2.4     5.8
   52   3   5   0  25.626  51.253  2.06811      251.8     10.1      9.9     5.8
   53   2   7   1  25.69   51.381  2.0633        68.9      2.8      2.7     5.8
   54   0   7   2  25.731  51.461  2.0603       175.2      7.1      6.9     5.8
   55   2   5   2  26.034  52.067  2.03796      956.0     38.5     37.5     5.8
   56   0   3   3  26.3    52.6    2.01876      310.7     12.5     12.2     5.8
   57   1   9   0  26.331  52.662  2.01655      901.0     36.3     35.4     5.8
   58   1   2   3  26.537  53.073  2.00206       64.2      2.6      2.5     5.8
   59   1   7   2  26.78   53.561  1.98517       70.7      2.8      2.8     5.8
   60   3   5   1  27.036  54.073  1.96777       32.5      1.3      1.3     5.8
   61   3   0   2  27.209  54.419  1.9562       656.2     26.4     25.7     5.8
   62   1   3   3  27.334  54.669  1.94793      858.2     34.6     33.6     5.8
   63   0   4   3  27.419  54.839  1.94236      106.5      4.3      4.2     5.8
   64   1   9   1  27.716  55.432  1.9232        48.4      1.9      1.9     5.8
   65   3   2   2  27.838  55.677  1.91541      363.2     14.6     14.2     5.8
   66   2   8   1  28.088  56.175  1.89979      242.4      9.8      9.5     5.8
   67   0  10   0  28.313  56.626  1.8859        39.5      1.6      1.5     5.8
   68   1   4   3  28.426  56.852  1.87903       80.3      3.2      3.1     5.8
   69   3   3   2  28.612  57.223  1.86785       78.2      3.1      3.0     5.8
   70   3   6   1  28.751  57.502  1.85957      457.7     18.4     17.8     5.8
   71   4   0   0  28.833  57.665  1.85475      435.8     17.6     17.0     5.8
   72   2   1   3  29.096  58.192  1.83942      263.5     10.6     10.3     5.8
   73   3   7   0  29.404  58.808  1.82185      192.9      7.8      7.5     5.8
   74   4   2   0  29.439  58.878  1.81988       82.9      3.3      3.2     5.8
   75   0  10   1  29.636  59.271  1.80888      119.6      4.8      4.7     5.8
   76   3   4   2  29.672  59.345  1.80684      271.9     11.0     10.6     5.8
   77   2   7   2  29.776  59.552  1.80114      336.6     13.6     13.1     5.8
   78   2   3   3  30.294  60.588  1.77318      242.2      9.8      9.4     5.8
   79   0   6   3  30.464  60.929  1.76421      289.5     11.7     11.2     5.8
   80   1  10   1  30.595  61.19   1.7574       159.2      6.4      6.2     5.8
   81   0   9   2  30.687  61.375  1.75262      374.1     15.1     14.5     5.8
   82   4   2   1  30.731  61.462  1.75038       42.6      1.7      1.7     5.8
   83   4   4   0  31.213  62.427  1.726        112.2      4.5      4.3     5.8
   84   1   6   3  31.409  62.817  1.71635      294.0     11.8     11.4     5.9
   85   4   3   1  31.46   62.919  1.71386      460.1     18.5     17.8     5.9
   86   1   9   2  31.628  63.256  1.70568       36.9      1.5      1.4     5.9
   87   2   8   2  31.971  63.942  1.68928       46.8      1.9      1.8     5.9
   88   1  11   0  32.376  64.751  1.67043      166.5      6.7      6.4     5.9
   89   3   6   2  32.586  65.172  1.66081      267.4     10.8     10.3     5.9
   90   3   8   1  32.857  65.714  1.64865       73.1      2.9      2.8     5.9
   91   1   7   3  33.263  66.526  1.6308        56.6      2.3      2.2     5.9
   92   2  10   1  33.377  66.753  1.62588       39.8      1.6      1.5     5.9
   93   1  11   1  33.603  67.206  1.6162        48.7      2.0      1.9     5.9
   94   4   5   1  33.732  67.464  1.61074       27.4      1.1      1.1     5.9
   95   3   1   3  33.78   67.56   1.60873      117.6      4.7      4.5     5.9
   96   3   9   0  34.021  68.041  1.59871      546.1     22.0     20.9     5.9
   97   4   6   0  34.053  68.105  1.59738       76.8      3.1      2.9     5.9
   98   2   6   3  34.154  68.308  1.59321      452.4     18.2     17.3     5.9
   99   3   2   3  34.197  68.394  1.59146       77.4      3.1      3.0     5.9
  100   1  10   2  34.311  68.622  1.58682       52.2      2.1      2.0     5.9
  101   2   9   2  34.364  68.728  1.58466      726.4     29.3     27.8     5.9
  102   0   8   3  34.452  68.904  1.58111      125.6      5.1      4.8     5.9
  103   0   2   4  34.573  69.146  1.57625       51.4      2.1      2.0     5.9
  104   0  12   0  34.691  69.381  1.57158       37.9      1.5      1.4     5.9
  105   3   3   3  34.887  69.774  1.56386      394.4     15.9     15.1     5.9
  106   4   3   2  35.127  70.253  1.55454      123.8      5.0      4.7     5.9
  107   3   9   1  35.219  70.439  1.55098       61.4      2.5      2.3     5.9
  108   4   6   1  35.251  70.502  1.54976      276.3     11.1     10.5     5.9
  109   1   8   3  35.34   70.679  1.54638       61.3      2.5      2.3     5.9
  110   1   2   4  35.459  70.919  1.54184       85.2      3.4      3.3     5.9
  111   3   4   3  35.843  71.685  1.52753       27.1      1.1      1.0     5.9
  112   1   3   4  36.139  72.277  1.5167        98.3      4.0      3.7     5.9
  113   0   4   4  36.211  72.423  1.51407      100.6      4.1      3.8     5.9
  114   2  11   1  36.265  72.53   1.51214       33.0      1.3      1.3     5.9
  115   0  11   2  36.298  72.595  1.51096       72.4      2.9      2.8     6.0
  116   3   8   2  36.454  72.907  1.50539       31.4      1.3      1.2     6.0
  117   1  12   1  36.752  73.504  1.49487      214.6      8.6      8.1     6.0
  118   4   7   1  37.01   74.021  1.48591       59.0      2.4      2.2     6.0
  119   3   5   3  37.056  74.113  1.48434       31.2      1.3      1.2     6.0
  120   4   5   2  37.29   74.581  1.47636      104.5      4.2      4.0     6.0
  121   0   5   4  37.42   74.841  1.47198       34.2      1.4      1.3     6.0
  122   2   0   4  37.533  75.067  1.4682       238.8      9.6      9.0     6.0
  123   3  10   1  37.781  75.562  1.46          63.0      2.5      2.4     6.0
  124   2   8   3  37.949  75.898  1.4545        78.2      3.1      3.0     6.0
  125   2   2   4  38.066  76.131  1.45072       75.7      3.0      2.9     6.0
  126   2  12   0  38.179  76.358  1.44707       38.4      1.5      1.4     6.0
  127   5   3   0  38.271  76.542  1.44412      235.6      9.5      8.9     6.0
  128   3   6   3  38.52   77.041  1.43621       47.5      1.9      1.8     6.0
  129   2   3   4  38.728  77.455  1.42972       80.6      3.2      3.0     6.0
  130   5   2   1  38.76   77.52   1.42872       42.3      1.7      1.6     6.0
  131   0   6   4  38.88   77.76   1.425         43.9      1.8      1.7     6.0
  132   1  13   0  38.921  77.842  1.42373      109.7      4.4      4.1     6.0
  133   4   8   1  39.003  78.006  1.42121       41.5      1.7      1.6     6.0
  134   0  10   3  39.291  78.582  1.41247       32.6      1.3      1.2     6.0
  135   2  12   1  39.327  78.654  1.41139      302.8     12.2     11.4     6.0
  136   5   3   1  39.418  78.837  1.40865      154.0      6.2      5.8     6.0
  137   2   4   4  39.649  79.298  1.4018       118.7      4.8      4.5     6.0
  138   2  11   2  39.733  79.465  1.39933       73.3      3.0      2.7     6.0
  139   4   1   3  39.867  79.734  1.3954        36.4      1.5      1.4     6.0
  140   1  10   3  40.138  80.277  1.38755       50.3      2.0      1.9     6.0
  141   1  12   2  40.206  80.412  1.38561      204.7      8.2      7.7     6.0
  142   4   2   3  40.259  80.519  1.38408       31.8      1.3      1.2     6.1
  143   5   5   0  40.375  80.75   1.3808        35.8      1.4      1.3     6.1
  144   4   7   2  40.457  80.915  1.37847       54.3      2.2      2.0     6.1
  145   3  11   1  40.546  81.092  1.37598       66.5      2.7      2.5     6.1
  146   2   5   4  40.825  81.65   1.3682        45.6      1.8      1.7     6.1
  147   4   3   3  40.911  81.823  1.36581      108.8      4.4      4.1     6.1
  148   1   7   4  41.425  82.851  1.35188       41.6      1.7      1.5     6.1
  149   5   0   2  41.649  83.297  1.34594      309.9     12.5     11.5     6.1
  150   3   0   4  41.775  83.55   1.34262       39.6      1.6      1.5     6.1
  151   4   4   3  41.821  83.642  1.34141       51.0      2.1      1.9     6.1
  152   3   8   3  42.18   84.359  1.33212       38.9      1.6      1.4     6.1
  153   2   6   4  42.253  84.507  1.33023      103.2      4.2      3.8     6.1
  154   4  10   0  42.563  85.126  1.32238       46.5      1.9      1.7     6.1
  155   0  13   2  42.615  85.229  1.32108      108.9      4.4      4.0     6.1
  156   2  10   3  42.657  85.315  1.32001       87.5      3.5      3.2     6.1
  157   5   6   1  42.932  85.863  1.31321      320.0     12.9     11.8     6.1
  158   5   7   0  43.487  86.975  1.29972       30.0      1.2      1.1     6.1
  159   3  12   1  43.527  87.055  1.29876      205.3      8.3      7.6     6.1
  160   4  10   1  43.686  87.373  1.29499       91.4      3.7      3.4     6.2
  161   5   4   2  43.718  87.436  1.29424       85.3      3.4      3.1     6.2
  162   3  11   2  43.926  87.852  1.28935       32.8      1.3      1.2     6.2
  163   4   6   3  44.405  88.81   1.2783       186.0      7.5      6.8     6.2
  164   0   1   5  44.503  89.006  1.27607       66.0      2.7      2.4     6.2
  165   4   9   2  44.601  89.201  1.27387      468.0     18.8     17.1     6.2
  166   0  12   3  45.0    90.0    1.26496      141.5      5.7      5.2     6.2

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