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       ***
                  ***********************
ZOISITE

8, t-zoisite, f-epidote, at 7.766 GPa

Ca(2)Al(3)[Si(3)O(12)]OH


Orthorhombic  P nma  Z = 4

Pnma

24 .1 .13

Ref.Str.:

         Alvaro M., Angel R.J., Camara F. (2012)

         * Amer. Mineral., 97, 1165-1176

         R: from Merelani Hills, Tanzania. N.A.D.

                   Initial data from BDM-file 

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

             a =  16.0271   alpha =   90.0 
             b =   5.4473   beta  =   90.0 
             c =   9.8119   gamma =   90.0 

    Unit cell volume (cub. angs.) =   856.62

    Molar volume ( cub.cm/mol.) =   128.99

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

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

   1 0.4104  0.75    0.2788   0.0    Si    = 1.00
   2 0.0799  0.25    0.1048   0.0    Si    = 1.00
   3 0.16    0.25    0.4353   0.0    Si    = 1.00
   4 0.2485  0.9985  0.1865   0.0    Al    = 1.00
   5 0.1053  0.75    0.2999   0.0    Al    = 1.00
   6 0.3651  0.25    0.4353   0.0    Ca    = 1.00
   7 0.4554  0.25    0.1094   0.0    Ca    = 1.00
   8 0.1278  0.9933  0.1466   0.0    O     = 1.00
   9 0.1015  0.0116  0.4328   0.0    O     = 1.00
  10 0.3586  0.9958  0.239    0.0    O     = 1.00
  11 0.2191  0.75    0.3038   0.0    O     = 1.00
  12 0.2275  0.25    0.3113   0.0    O     = 1.00
  13 0.269   0.75    0.0576   0.0    O     = 1.00
  14 0.9899  0.25    0.1712   0.0    O     = 1.00
  15 0.9947  0.75    0.305    0.0    O     = 1.00
  16 0.4204  0.75    0.442    0.0    O     = 1.00
  17 0.2605  0.25    0.0646   0.0    OH    = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.4104     0.75       0.2788
     2       2     0.0799     0.25       0.1048
     3       3     0.16       0.25       0.4353
     4       4     0.2485     0.9985     0.1865
     5       5     0.1053     0.75       0.2999
     6       6     0.3651     0.25       0.4353
     7       7     0.4554     0.25       0.1094
     8       8     0.1278     0.9933     0.1466
     9       9     0.1015     0.0116     0.4328
    10      10     0.3586     0.9958     0.239 
    11      11     0.2191     0.75       0.3038
    12      12     0.2275     0.25       0.3113
    13      13     0.269      0.75       0.0576
    14      14     0.9899     0.25       0.1712
    15      15     0.9947     0.75       0.305 
    16      16     0.4204     0.75       0.442 
    17      17     0.2605     0.25       0.0646
    18       1     0.0896     0.25       0.7788
    19       2     0.4201     0.75       0.6048
    20       3     0.34       0.75       0.9353
    21       4     0.2515     0.0015     0.6865
    22       5     0.3947     0.25       0.7999
    23       6     0.1349     0.75       0.9353
    24       7     0.0446     0.75       0.6094
    25       8     0.3722     0.0067     0.6466
    26       9     0.3985     0.9884     0.9328
    27      10     0.1414     0.0042     0.739 
    28      11     0.2809     0.25       0.8038
    29      12     0.2725     0.75       0.8113
    30      13     0.231      0.25       0.5576
    31      14     0.5101     0.75       0.6712
    32      15     0.5053     0.25       0.805 
    33      16     0.0796     0.25       0.942 
    34      17     0.2395     0.75       0.5646
    35       4     0.2515     0.4985     0.6865
    36       8     0.3722     0.4933     0.6466
    37       9     0.3985     0.5116     0.9328
    38      10     0.1414     0.4958     0.739 
    39       4     0.2485     0.5015     0.1865
    40       8     0.1278     0.5067     0.1466
    41       9     0.1015     0.4884     0.4328
    42      10     0.3586     0.5042     0.239 
    43       1     0.9104     0.75       0.2212
    44       2     0.5799     0.25       0.3952
    45       3     0.66       0.25       0.0647
    46       4     0.7485     0.9985     0.3135
    47       5     0.6053     0.75       0.2001
    48       6     0.8651     0.25       0.0647
    49       7     0.9554     0.25       0.3906
    50       8     0.6278     0.9933     0.3534
    51       9     0.6015     0.0116     0.0672
    52      10     0.8586     0.9958     0.261 
    53      11     0.7191     0.75       0.1962
    54      12     0.7275     0.25       0.1887
    55      13     0.769      0.75       0.4424
    56      14     0.4899     0.25       0.3288
    57      15     0.4947     0.75       0.195 
    58      16     0.9204     0.75       0.058 
    59      17     0.7605     0.25       0.4354
    60       1     0.5896     0.25       0.7212
    61       2     0.9201     0.75       0.8952
    62       3     0.84       0.75       0.5647
    63       4     0.7515     0.0015     0.8135
    64       5     0.8947     0.25       0.7001
    65       6     0.6349     0.75       0.5647
    66       7     0.5446     0.75       0.8906
    67       8     0.8722     0.0067     0.8534
    68       9     0.8985     0.9884     0.5672
    69      10     0.6414     0.0042     0.761 
    70      11     0.7809     0.25       0.6962
    71      12     0.7725     0.75       0.6887
    72      13     0.731      0.25       0.9424
    73      14     0.0101     0.75       0.8288
    74      15     0.0053     0.25       0.695 
    75      16     0.5796     0.25       0.558 
    76      17     0.7395     0.75       0.9354
    77       4     0.7515     0.4985     0.8135
    78       8     0.8722     0.4933     0.8534
    79       9     0.8985     0.5116     0.5672
    80      10     0.6414     0.4958     0.761 
    81       4     0.7485     0.5015     0.3135
    82       8     0.6278     0.5067     0.3534
    83       9     0.6015     0.4884     0.0672
    84      10     0.8586     0.5042     0.261 


X-ray density (g/cm cub.)   =      3.52

MU (1/cm) =     189.36     Mass attenuation coefficient (cm**2/g) =     53.767

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

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

    1    Si                  2.148        4
                                                 1.6234      10
                                                 1.6093      16
                                                 1.6234      10
                                                 1.5812      15
    2    Si                  2.148        4
                                                 1.6471       8
                                                 1.5828      14
                                                 1.5974      16
                                                 1.6471       8
    3    Si                  2.148        4
                                                 1.6022       9
                                                 1.6278      12
                                                 1.6534      13
                                                 1.6022       9
    4    Al                  2.364        6
                                                 1.9745       8
                                                 1.8377      10
                                                 1.8384      11
                                                 1.8682      12
                                                 1.8814      13
                                                 1.8287      17
    5    Al                  2.364        6
                                                 2.0369       8
                                                 1.9326       9
                                                 1.8243      11
                                                 1.7733      15
                                                 2.0369       8
                                                 1.9326       9
    6    Ca                  2.928        9
                                                 2.3744      10
                                                 2.5184      12
                                                 2.8651      16
                                                 2.8651      16
                                                 2.4633       8
                                                 2.4613      13
                                                 2.4633       8
                                                 2.3744      10
                                                 2.257       14
    7    Ca                  2.928        9
                                                 2.4378      10
                                                 2.4219       9
                                                 2.4219       9
                                                 2.4378      10
                                                 2.709        9
                                                 2.2225      14
                                                 2.9189      15
                                                 2.9189      15
                                                 2.709        9
    8    O                   3.312       10
                                                 2.8414       9
                                                 2.5053      11
                                                 2.6684      12
                                                 2.7641      13
                                                 2.6265      14
                                                 2.9534      15
                                                 2.6694      17
                                                 2.5656      16
                                                 2.7966       8
                                                 2.6507       8
    9    O                   3.312       10
                                                 2.8414       8
                                                 2.6805      11
                                                 2.6806      12
                                                 2.556       15
                                                 3.072       10
                                                 2.7375      13
                                                 2.9317      17
                                                 2.5973       9
                                                 2.85         9
                                                 3.2684      15
   10    O                   3.312       10
                                                 2.6825      11
                                                 2.6145      12
                                                 2.6501      13
                                                 2.5964      16
                                                 2.7051      17
                                                 3.072        9
                                                 2.7694      10
                                                 2.6779      10
                                                 2.6687      14
                                                 2.5956      15
   11    O                   3.312       10
                                                 2.5053       8
                                                 2.6805       9
                                                 2.6825      10
                                                 2.728       12
                                                 2.728       12
                                                 2.5446      13
                                                 2.5797      17
                                                 2.5053       8
                                                 2.6805       9
                                                 2.6825      10
   12    O                   3.312       10
                                                 2.6684       8
                                                 2.6806       9
                                                 2.6145      10
                                                 2.728       11
                                                 2.728       11
                                                 2.4777      17
                                                 2.4173      13
                                                 2.6684       8
                                                 2.6806       9
                                                 2.6145      10
   13    O                   3.312       10
                                                 2.7641       8
                                                 2.6501      10
                                                 2.5446      11
                                                 2.7279      17
                                                 2.7279      17
                                                 2.7375       9
                                                 2.4173      12
                                                 2.7375       9
                                                 2.7641       8
                                                 2.6501      10
   14    O                   3.312        9
                                                 2.6265       8
                                                 3.0245      15
                                                 3.0245      15
                                                 2.6691      16
                                                 2.6265       8
                                                 2.6687      10
                                                 3.1453      16
                                                 3.1453      16
                                                 2.6687      10
   15    O                   3.312       11
                                                 2.9534       8
                                                 2.556        9
                                                 3.0245      14
                                                 3.0245      14
                                                 2.9534       8
                                                 2.556        9
                                                 2.5956      10
                                                 2.7003      16
                                                 3.2684       9
                                                 3.2684       9
                                                 2.5956      10
   16    O                   3.312        9
                                                 2.5964      10
                                                 2.5656       8
                                                 2.6691      14
                                                 3.139       17
                                                 2.5656       8
                                                 2.5964      10
                                                 3.1453      14
                                                 3.1453      14
                                                 2.7003      15
   17    OH                  3.36        11
                                                 2.6694       8
                                                 2.7051      10
                                                 2.4777      12
                                                 2.7279      13
                                                 2.7279      13
                                                 2.9317       9
                                                 2.5797      11
                                                 3.139       16
                                                 2.9317       9
                                                 2.6694       8
                                                 2.7051      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   0   1  5.281  10.563   0.06   233.07    4        4.5        2.5
    2   2   0   0  5.516  11.032   0.062  213.49    2       40.5       95.3
    3   2   0   1  7.129  14.258   0.081  126.89    4        4.2        1.2
    4   0   0   2  9.033  18.067   0.102   78.2     2       91.1      177.0
    5   0   1   1  9.308  18.615   0.105   73.53    4       16.5       10.8
    6   3   0   1  9.449  18.898   0.107   71.28    4       13.3        6.9
    7   1   0   2  9.451  18.902   0.107   71.25    4       25.4       25.0
    8   1   1   1  9.714  19.428   0.11    67.33    8       32.8       78.9
    9   2   1   0  9.845  19.69    0.111   65.49    4        4.6        0.8
   10   2   0   2 10.608  21.217   0.119   56.11    4       28.6       25.0
   11   2   1   1 10.844  21.689   0.122   53.6     8        3.2        0.6
   12   4   0   0 11.084  22.168   0.125   51.22    2       81.4       92.5
   13   4   0   1 11.985  23.97    0.135   43.5     4       49.9       59.2
   14   3   0   2 12.308  24.616   0.138   41.14    4       62.8       88.6
   15   3   1   1 12.514  25.027   0.141   39.73    8       72.8      229.4
   16   1   1   2 12.515  25.03    0.141   39.72    8       17.7       13.6
   17   2   1   2 13.423  26.846   0.151   34.27    8        4.4        0.7
   18   4   1   0 13.807  27.614   0.155   32.28    4        0.0        0.0
   19   1   0   3 13.908  27.817   0.156   31.78    4        0.1        0.0
   20   4   0   2 14.372  28.744   0.161   29.64    4       67.1       72.7
   21   4   1   1 14.55   29.101   0.163   28.87    8       38.5       46.7
   22   5   0   1 14.643  29.287   0.164   28.47    4       90.1      126.0
   23   2   0   3 14.737  29.473   0.165   28.09    4       69.7       74.4
   24   3   1   2 14.821  29.643   0.166   27.75    8       19.0       10.9
   25   0   1   3 15.944  31.889   0.178   23.72    4      244.1      770.3
   26   3   0   3 16.03   32.06    0.179   23.44    4       19.2        4.7
   27   1   1   3 16.193  32.386   0.181   22.94    8       66.0      109.0
   28   0   2   0 16.428  32.856   0.184   22.23    2      230.2      321.2
   29   4   1   2 16.599  33.197   0.185   21.74    8       16.8        6.7
   30   5   0   2 16.682  33.363   0.186   21.51    4      158.4      294.2
   31   6   0   0 16.76   33.52    0.187   21.29    2      174.6      176.8
   32   5   1   1 16.838  33.676   0.188   21.08    8      158.9      580.1
   33   2   1   3 16.92   33.84    0.189   20.85    8       57.2       74.3
   34   1   2   1 17.302  34.605   0.193   19.86    8       28.3       17.4
   35   2   2   0 17.38   34.759   0.194   19.67    4      117.1      146.9
   36   6   0   1 17.389  34.778   0.194   19.65    4       26.7        7.6
   37   4   0   3 17.699  35.398   0.197   18.9     4        5.3        0.3
   38   2   2   1 17.99   35.979   0.2     18.24    8       19.2        7.4
   39   3   1   3 18.074  36.148   0.201   18.05    8       81.6      131.0
   40   0   0   4 18.302  36.603   0.204   17.57    2       50.1       12.0
   41   1   0   4 18.522  37.045   0.206   17.11    4       74.8       52.2
   42   5   1   2 18.662  37.325   0.208   16.83    8       25.2       11.7
   43   6   1   0 18.734  37.468   0.208   16.69    4       10.2        1.0
   44   0   2   2 18.873  37.746   0.21    16.42    4       85.1       64.8
   45   3   2   1 19.087  38.175   0.212   16.01    8        4.8        0.4
   46   1   2   2 19.088  38.176   0.212   16.01    8      116.3      236.0
   47   6   0   2 19.168  38.336   0.213   15.86    4       34.5       10.3
   48   2   0   4 19.172  38.344   0.213   15.86    4       63.1       34.4
   49   6   1   1 19.307  38.614   0.215   15.61    8       53.1       48.0
   50   4   1   3 19.59   39.181   0.218   15.11    8       89.7      132.6
   51   5   0   3 19.662  39.324   0.218   14.99    4       36.3       10.7
   52   2   2   2 19.722  39.443   0.219   14.89    8      111.8      202.9
   53   4   2   0 19.997  39.993   0.222   14.44    4       22.1        3.9
   54   7   0   1 20.21   40.42    0.224   14.1     4       52.8       21.4
   55   3   0   4 20.215  40.429   0.224   14.1     4       28.4        6.2
   56   1   1   4 20.348  40.697   0.226   13.89    8       53.4       43.2
   57   4   2   1 20.54   41.08    0.228   13.6     8       83.5      103.4
   58   3   2   2 20.741  41.483   0.23    13.31    8       49.9       36.1
   59   6   1   2 20.946  41.893   0.232   13.02    8       17.1        4.2
   60   2   1   4 20.95   41.9     0.232   13.02    8       19.9        5.6
   61   5   1   3 21.406  42.812   0.237   12.4     8       10.6        1.5
   62   4   0   4 21.604  43.208   0.239   12.15    4       30.3        6.1
   63   1   2   3 21.787  43.574   0.241   11.92    8       64.0       53.3
   64   7   0   2 21.793  43.587   0.241   11.91    4        4.8        0.1
   65   6   0   3 21.859  43.718   0.242   11.83    4      102.8       68.1
   66   7   1   1 21.918  43.837   0.242   11.76    8        3.5        0.2
   67   3   1   4 21.923  43.845   0.242   11.76    8       49.0       30.7
   68   4   2   2 22.104  44.208   0.244   11.54    8        9.2        1.1
   69   5   2   1 22.292  44.585   0.246   11.32    8      120.1      178.0
   70   2   2   3 22.357  44.714   0.247   11.25    8      120.7      178.5
   71   8   0   0 22.612  45.224   0.25    10.96    2      203.8      124.1
   72   8   0   1 23.105  46.211   0.255   10.44    4      107.3       65.6
   73   4   1   4 23.229  46.459   0.256   10.32    8       37.0       15.4
   74   3   2   3 23.283  46.566   0.257   10.26    8       34.1       13.0
   75   5   0   4 23.292  46.584   0.257   10.25    4      121.3       82.3
   76   1   0   5 23.294  46.589   0.257   10.25    4        3.8        0.1
   77   7   1   2 23.408  46.816   0.258   10.14    8       44.8       22.2
   78   6   1   3 23.47   46.94    0.259   10.08    8       10.6        1.2
   79   5   2   2 23.764  47.527   0.262    9.8     8      107.3      122.9
   80   6   2   0 23.822  47.645   0.262    9.74    4        8.1        0.3
   81   2   0   5 23.836  47.672   0.262    9.73    4       97.4       50.3
   82   8   1   0 24.184  48.368   0.266    9.41    4       88.2       39.9
   83   7   0   3 24.247  48.494   0.267    9.36    4       19.7        2.0
   84   6   2   1 24.297  48.593   0.267    9.32    8       13.4        1.8
   85   4   2   3 24.533  49.066   0.27     9.11    8        6.3        0.4
   86   8   0   2 24.539  49.078   0.27     9.11    4       84.0       35.0
   87   8   1   1 24.653  49.306   0.271    9.01    8       20.2        4.0
   88   0   1   5 24.659  49.318   0.271    9.01    4        3.9        0.1
   89   3   0   5 24.719  49.438   0.271    8.96    4       56.5       15.6
   90   5   1   4 24.831  49.662   0.273    8.87    8       57.2       31.6
   91   1   1   5 24.833  49.666   0.273    8.86    8       29.2        8.3
   92   0   2   4 24.999  49.998   0.274    8.73    4       39.8        7.5
   93   1   2   4 25.171  50.342   0.276    8.6     8      148.8      207.4
   94   6   0   4 25.235  50.471   0.277    8.55    4       13.6        0.9
   95   2   1   5 25.35   50.7     0.278    8.46    8       58.5       31.6
   96   0   3   1 25.558  51.115   0.28     8.3     4       19.0        1.6
   97   6   2   2 25.68   51.36    0.281    8.21    8       26.1        6.1
   98   2   2   4 25.683  51.366   0.281    8.21    8       43.1       16.7
   99   1   3   1 25.727  51.455   0.282    8.18    8       14.9        2.0
  100   7   1   3 25.743  51.486   0.282    8.17    8       22.2        4.4
  101   2   3   0 25.783  51.567   0.282    8.14    4        8.0        0.3
  102   4   0   5 25.917  51.835   0.284    8.04    4       17.1        1.3
  103   8   1   2 26.023  52.045   0.285    7.97    8       15.7        2.2
  104   5   2   3 26.075  52.149   0.285    7.93    8       24.2        5.1
  105   9   0   1 26.079  52.159   0.285    7.93    4        8.9        0.3
  106   3   1   5 26.195  52.39    0.287    7.85    8        0.1        0.0
  107   2   3   1 26.231  52.463   0.287    7.82    8        1.4        0.0
  108   7   2   1 26.517  53.034   0.29     7.63    8        1.9        0.0
  109   3   2   4 26.521  53.041   0.29     7.63    8       45.8       17.5
  110   6   1   4 26.691  53.382   0.292    7.52    8       41.2       13.9
  111   8   0   3 26.801  53.601   0.293    7.45    4       13.5        0.7
  112   3   3   1 27.057  54.114   0.295    7.29    8       62.8       31.4
  113   1   3   2 27.058  54.115   0.295    7.29    8       20.8        3.4
  114   4   1   5 27.347  54.694   0.298    7.12    8       61.1       29.0
  115   9   0   2 27.398  54.795   0.299    7.09    4       79.1       24.2
  116   7   0   4 27.401  54.801   0.299    7.09    4       35.5        4.9
  117   5   0   5 27.403  54.805   0.299    7.08    4       24.9        2.4
  118   9   1   1 27.503  55.006   0.3      7.03    8       86.8       57.7
  119   2   3   2 27.545  55.09    0.3      7.0     8        2.4        0.0
  120   4   2   4 27.663  55.326   0.301    6.93    8       28.7        6.2
  121   4   3   0 27.758  55.517   0.302    6.88    4        6.8        0.2
  122   7   2   2 27.821  55.642   0.303    6.84    8       87.3       56.9
  123   6   2   3 27.875  55.751   0.303    6.81    8       34.0        8.6
  124   0   0   6 28.101  56.202   0.306    6.69    2       92.7       15.7
  125   4   3   1 28.185  56.369   0.307    6.65    8       27.8        5.6
  126   8   1   3 28.199  56.399   0.307    6.64    8       11.3        0.9
  127   1   0   6 28.26   56.52    0.307    6.61    4       80.5       23.3
  128   3   3   2 28.344  56.688   0.308    6.56    8       23.6        4.0
  129   8   2   0 28.509  57.018   0.31     6.48    4       84.9       25.5
  130  10   0   0 28.725  57.451   0.312    6.37    2       79.7       11.0
  131   2   0   6 28.733  57.467   0.312    6.36    4       50.5        8.8
  132   9   1   2 28.777  57.554   0.312    6.34    8       98.1       66.5
  133   7   1   4 28.78   57.559   0.313    6.34    8       16.7        1.9
  134   5   1   5 28.782  57.563   0.313    6.34    8      108.2       80.9
  135   8   2   1 28.928  57.856   0.314    6.27    8       19.3        2.5
  136   0   3   3 29.026  58.052   0.315    6.22    4      182.0      112.3
  137   5   2   4 29.088  58.175   0.316    6.19    8      184.8      230.3
  138   1   2   5 29.09   58.179   0.316    6.19    8       12.3        1.0
  139  10   0   1 29.142  58.285   0.316    6.16    4        4.3        0.1
  140   6   0   5 29.148  58.295   0.316    6.16    4       67.7       15.4
  141   1   3   3 29.182  58.364   0.316    6.14    8       58.3       22.8
  142   4   3   2 29.439  58.878   0.319    6.02    8       19.6        2.5
  143   9   0   3 29.506  59.011   0.32     5.99    4        1.8        0.0
  144   3   0   6 29.512  59.023   0.32     5.99    4      208.5      142.0
  145   2   2   5 29.554  59.109   0.32     5.97    8       13.9        1.3
  146   5   3   1 29.593  59.186   0.321    5.95    8      121.9       96.5
  147   1   1   6 29.613  59.226   0.321    5.94    8       30.3        6.0
  148   2   3   3 29.646  59.292   0.321    5.93    8       44.8       13.0
  149   8   0   4 29.764  59.528   0.322    5.88    4       31.3        3.1
  150   7   2   3 29.909  59.819   0.324    5.81    8        6.1        0.2
  151  10   1   0 30.065  60.13    0.325    5.75    4      147.5       68.1
  152   2   1   6 30.073  60.146   0.325    5.74    8       28.9        5.2
  153   8   2   2 30.163  60.326   0.326    5.7     8       54.3       18.3
  154   3   2   5 30.32   60.639   0.328    5.64    8       39.9        9.8
  155  10   0   2 30.372  60.743   0.328    5.62    4       29.6        2.7
  156   3   3   3 30.41   60.819   0.329    5.6     8       67.4       27.8
  157  10   1   1 30.471  60.941   0.329    5.58    8      107.8       70.6
  158   6   1   5 30.476  60.952   0.329    5.57    8       74.5       33.7
  159   4   0   6 30.581  61.161   0.33     5.53    4      138.6       57.9
  160   6   2   4 30.771  61.542   0.332    5.46    8       25.0        3.7
  161   5   3   2 30.811  61.622   0.332    5.44    8       37.1        8.2
  162   9   1   3 30.824  61.649   0.333    5.44    8       18.9        2.1
  163   3   1   6 30.83   61.66    0.333    5.43    8       20.8        2.6
  164   6   3   0 30.86   61.721   0.333    5.42    4       11.9        0.4
  165   8   1   4 31.076  62.152   0.335    5.34    8       42.4       10.5
  166   7   0   5 31.129  62.258   0.336    5.32    4       12.2        0.4
  167   6   3   1 31.26   62.52    0.337    5.27    8       47.6       13.0
  168   4   2   5 31.372  62.744   0.338    5.23    8       44.2       11.1
  169   4   3   3 31.46   62.92    0.339    5.2     8       69.7       27.6
  170   9   2   1 31.515  63.031   0.339    5.18    8       31.8        5.7
  171  10   1   2 31.669  63.338   0.341    5.12    8       27.2        4.1
  172   4   1   6 31.873  63.746   0.343    5.05    8       14.1        1.1
  173   5   0   6 31.923  63.847   0.343    5.03    4       34.4        3.2
  174   1   3   4 32.004  64.008   0.344    5.0     8       31.1        5.3
  175   8   2   3 32.157  64.314   0.345    4.95    8       12.0        0.8
  176  11   0   1 32.308  64.616   0.347    4.9     4       17.7        0.8
  177   9   0   4 32.311  64.622   0.347    4.9     4      117.4       36.8
  178  10   0   3 32.358  64.717   0.347    4.89    4      107.0       30.5
  179   7   1   5 32.409  64.818   0.348    4.87    8       71.2       26.9
  180   6   3   2 32.442  64.883   0.348    4.86    8       13.9        1.0
  181   2   3   4 32.444  64.888   0.348    4.86    8        8.6        0.4
  182   9   2   2 32.692  65.384   0.351    4.78    8       90.9       43.1
  183   7   2   4 32.695  65.389   0.351    4.78    8      162.3      137.2
  184   5   2   5 32.696  65.393   0.351    4.78    8       40.3        8.4
  185   5   3   3 32.783  65.566   0.351    4.75    8        8.6        0.4
  186   7   3   1 33.168  66.335   0.355    4.63    8       14.1        1.0
  187   3   3   4 33.171  66.341   0.355    4.63    8       34.4        6.0
  188   5   1   6 33.187  66.373   0.355    4.63    8       35.0        6.2
  189   0   2   6 33.326  66.653   0.357    4.59    4      115.2       33.2
  190   8   0   5 33.33   66.66    0.357    4.59    4       37.8        3.6
  191  11   0   2 33.47   66.939   0.358    4.55    4       67.1       11.2
  192   1   2   6 33.47   66.941   0.358    4.55    8      124.7       77.1
  193   1   0   7 33.479  66.958   0.358    4.54    4       32.5        2.6
  194   6   0   6 33.524  67.048   0.358    4.53    4        7.5        0.1
  195  11   1   1 33.563  67.127   0.359    4.52    8        3.1        0.0
  196   9   1   4 33.566  67.133   0.359    4.52    8       12.1        0.7
  197  10   1   3 33.613  67.226   0.359    4.51    8       35.6        6.2
  198  10   2   0 33.893  67.786   0.362    4.43    4       46.3        5.2
  199   2   2   6 33.901  67.801   0.362    4.43    8       42.8        8.8
  200   2   0   7 33.909  67.818   0.362    4.42    4       47.5        5.4
  201   4   3   4 34.175  68.349   0.365    4.35    8       30.8        4.5
  202  10   2   1 34.274  68.547   0.366    4.33    8       23.7        2.7
  203   6   2   5 34.279  68.557   0.366    4.32    8        2.4        0.0
  204   7   3   2 34.314  68.629   0.366    4.32    8       32.2        4.9
  205   6   3   3 34.363  68.726   0.366    4.3     8        7.7        0.3
  206   0   4   0 34.446  68.891   0.367    4.28    2      439.9      225.8
  207   8   1   5 34.567  69.133   0.368    4.25    8       46.5       10.0
  208   0   1   7 34.572  69.143   0.368    4.25    4       65.3        9.9
  209   9   2   3 34.606  69.213   0.369    4.24    8       56.1       14.5
  210   3   2   6 34.612  69.224   0.369    4.24    8       68.2       21.5
  211   3   0   7 34.62   69.24    0.369    4.24    4       45.7        4.8
  212  11   1   2 34.704  69.408   0.37     4.22    8       39.6        7.2
  213   1   1   7 34.713  69.426   0.37     4.21    8       14.9        1.0
  214   6   1   6 34.757  69.515   0.37     4.2     8        4.2        0.1
  215   8   2   4 34.843  69.687   0.371    4.18    8       45.2        9.3
  216   8   3   0 34.927  69.854   0.372    4.16    4       64.4        9.4
  217   1   4   1 34.964  69.928   0.372    4.15    8        1.6        0.0
  218   2   4   0 35.011  70.022   0.372    4.14    4       20.2        0.9
  219  10   0   4 35.037  70.074   0.373    4.14    4       38.2        3.3
  220   2   1   7 35.136  70.272   0.374    4.11    8       57.7       14.9
  221  12   0   0 35.221  70.442   0.374    4.09    2       73.4        6.0
  222   8   3   1 35.302  70.604   0.375    4.07    8       12.5        0.7
  223   0   3   5 35.307  70.614   0.375    4.07    4        2.7        0.0
  224  11   0   3 35.363  70.726   0.376    4.06    4       39.6        3.5
  225   7   0   6 35.369  70.737   0.376    4.06    4        2.4        0.0
  226   2   4   1 35.386  70.772   0.376    4.05    8        1.7        0.0
  227  10   2   2 35.403  70.807   0.376    4.05    8      190.7      160.5
  228   5   3   4 35.445  70.891   0.376    4.04    8       53.0       12.4
  229   1   3   5 35.447  70.894   0.376    4.04    8       26.0        3.0
  230  12   0   1 35.595  71.19    0.378    4.01    4       20.8        0.9
  231   4   2   6 35.596  71.193   0.378    4.01    8        0.3        0.0
  232   4   0   7 35.605  71.209   0.378    4.01    4        7.3        0.1
  233   9   0   5 35.74   71.479   0.379    3.98    4       70.2       10.7
  234   3   1   7 35.836  71.672   0.38     3.95    8       29.4        3.7
  235   2   3   5 35.866  71.733   0.38     3.95    8       49.5       10.5
  236   0   4   2 35.945  71.89    0.381    3.93    4       50.7        5.5
  237   3   4   1 36.084  72.167   0.382    3.9     8       10.0        0.4
  238   1   4   2 36.084  72.169   0.382    3.9     8       14.9        0.9
  239   7   2   5 36.105  72.211   0.383    3.9     8       24.2        2.5
  240   7   3   3 36.188  72.375   0.383    3.88    8       22.0        2.0
  241  10   1   4 36.247  72.493   0.384    3.87    8       27.5        3.2
  242   8   3   2 36.418  72.836   0.385    3.83    8        3.3        0.0
  243  12   1   0 36.428  72.856   0.385    3.83    4       12.9        0.3
  244   2   4   2 36.5    73.001   0.386    3.82    8       18.9        1.5
  245   3   3   5 36.56   73.121   0.387    3.8     8        4.4        0.1
  246  11   1   3 36.568  73.137   0.387    3.8     8        1.9        0.0
  247   7   1   6 36.574  73.148   0.387    3.8     8       50.9       10.8
  248   4   4   0 36.684  73.368   0.388    3.78    4       46.8        4.5
  249  12   0   2 36.707  73.414   0.388    3.78    4       37.0        2.8
  250  12   1   1 36.797  73.594   0.389    3.76    8       30.0        3.7
  251   4   1   7 36.807  73.613   0.389    3.76    8        8.9        0.3
  252   5   2   6 36.846  73.692   0.389    3.75    8       53.3       11.6
  253   5   0   7 36.854  73.708   0.389    3.75    4       29.5        1.8
  254   9   1   5 36.94   73.879   0.39     3.73    8       17.0        1.2
  255   6   3   4 36.973  73.945   0.39     3.72    8       39.1        6.2
  256   4   4   1 37.052  74.104   0.391    3.71    8       29.5        3.5
  257   3   4   2 37.19   74.38    0.392    3.68    8       37.8        5.7
  258  11   2   1 37.206  74.412   0.393    3.68    8       76.2       23.3
  259   9   2   4 37.209  74.418   0.393    3.68    8        9.8        0.4
  260  10   2   3 37.253  74.507   0.393    3.67    8      144.4       83.5
  261   8   0   6 37.447  74.894   0.395    3.64    4       60.6        7.3
  262   4   3   5 37.524  75.048   0.395    3.62    8       44.2        7.7
  263   9   3   1 37.656  75.312   0.397    3.6     8       73.4       21.2
  264  12   1   2 37.895  75.791   0.399    3.56    8       17.4        1.2
  265   1   4   3 37.921  75.843   0.399    3.56    8        3.7        0.1
  266  11   0   4 37.945  75.889   0.399    3.55    4       77.2       11.5
  267   5   1   7 38.041  76.081   0.4      3.54    8       73.6       20.9
  268   4   4   2 38.148  76.295   0.401    3.52    8       43.0        7.1
  269   8   2   5 38.168  76.336   0.401    3.52    8      111.8       48.0
  270   8   3   3 38.249  76.498   0.402    3.5     8        3.1        0.0
  271   5   4   1 38.283  76.566   0.402    3.5     8       56.8       12.3
  272  11   2   2 38.3    76.6     0.402    3.5     8       17.6        1.2
  273   1   2   7 38.309  76.618   0.402    3.49    8       58.0       12.8
  274   2   4   3 38.33   76.66    0.403    3.49    8       35.9        4.9
  275   6   2   6 38.352  76.704   0.403    3.49    8       63.8       15.5
  276  10   0   5 38.355  76.71    0.403    3.49    4       66.7        8.4
  277   6   0   7 38.36   76.72    0.403    3.49    4       12.2        0.3
  278  12   0   3 38.533  77.066   0.404    3.46    4       42.8        3.5
  279   8   1   6 38.628  77.255   0.405    3.44    8       46.7        8.2
  280   2   2   7 38.716  77.433   0.406    3.43    8       17.3        1.1
  281   9   3   2 38.746  77.492   0.406    3.43    8       88.6       29.3
  282   7   3   4 38.748  77.497   0.406    3.43    8       17.7        1.2
  283   5   3   5 38.75   77.5     0.406    3.43    8       89.6       30.0
  284   0   0   8 38.905  77.811   0.408    3.4     2      167.9       26.2
  285   3   4   3 39.008  78.017   0.409    3.39    8       10.6        0.4
  286  13   0   1 39.029  78.057   0.409    3.39    4       23.5        1.0
  287   1   0   8 39.041  78.082   0.409    3.38    4       28.8        1.5
  288  11   1   4 39.12   78.24    0.41     3.37    8       45.5        7.6
  289   5   4   2 39.368  78.735   0.412    3.34    8      117.3       50.0
  290   3   2   7 39.393  78.785   0.412    3.33    8       27.6        2.8
  291   6   4   0 39.412  78.824   0.412    3.33    4      115.3       24.2
  292   2   0   8 39.446  78.892   0.412    3.33    4      107.8       21.1
  293   1   3   6 39.473  78.947   0.413    3.32    8       23.9        2.1
  294  10   1   5 39.527  79.054   0.413    3.32    8       57.2       11.8
  295   6   1   7 39.532  79.063   0.413    3.32    8       54.9       10.9
  296  12   1   3 39.703  79.407   0.415    3.29    8        8.5        0.3
  297   9   0   6 39.755  79.51    0.415    3.29    4       64.6        7.5
  298   6   4   1 39.771  79.543   0.415    3.28    8       18.5        1.2
  299  10   2   4 39.79   79.581   0.415    3.28    8       71.1       18.1
  300  10   3   0 39.87   79.741   0.416    3.27    4      125.1       27.9
  301   2   3   6 39.877  79.755   0.416    3.27    8       15.5        0.9
  302   4   4   3 39.952  79.904   0.417    3.26    8        2.0        0.0
  303  12   2   0 39.967  79.933   0.417    3.26    4       13.3        0.3
  304  11   2   3 40.103  80.206   0.418    3.24    8       63.9       14.4
  305  13   0   2 40.107  80.214   0.418    3.24    4        4.9        0.0
  306   7   2   6 40.108  80.216   0.418    3.24    8       31.0        3.4
  307   7   0   7 40.116  80.232   0.418    3.24    4       27.3        1.3
  308   3   0   8 40.119  80.238   0.418    3.24    4        0.8        0.0
  309  13   1   1 40.195  80.39    0.419    3.23    8       25.0        2.2
  310   1   1   8 40.207  80.414   0.419    3.23    8       16.4        0.9
  311  10   3   1 40.229  80.457   0.419    3.23    8       99.7       35.0
  312   6   3   5 40.233  80.467   0.419    3.23    8       71.3       17.9
  313   0   4   4 40.312  80.623   0.42     3.22    4       33.7        2.0
  314  12   2   1 40.325  80.65    0.42     3.21    8       24.6        2.1
  315   4   2   7 40.334  80.668   0.42     3.21    8        9.9        0.3
  316   1   4   4 40.446  80.891   0.421    3.2     8       56.8       11.3
  317   9   2   5 40.464  80.927   0.421    3.2     8       92.7       30.0
  318   9   3   3 40.543  81.086   0.422    3.19    8        9.8        0.3
  319   3   3   6 40.548  81.097   0.422    3.19    8       19.2        1.3
  320   2   1   8 40.609  81.218   0.423    3.18    8       23.7        1.9
  321   8   3   4 40.768  81.535   0.424    3.16    8       33.0        3.8
  322   6   4   2 40.845  81.69    0.425    3.16    8       46.7        7.5
  323   2   4   4 40.847  81.695   0.425    3.15    8       39.8        5.4
  324   9   1   6 40.916  81.832   0.425    3.15    8       35.1        4.2
  325  12   0   4 41.047  82.094   0.426    3.13    4       37.0        2.3
  326   4   0   8 41.056  82.113   0.426    3.13    4       37.0        2.3
  327   5   4   3 41.158  82.316   0.427    3.12    8       17.4        1.0
  328  11   0   5 41.182  82.365   0.427    3.12    4       11.3        0.2
  329  13   1   2 41.266  82.532   0.428    3.11    8       31.1        3.3
  330   7   1   7 41.275  82.55    0.428    3.11    8       56.9       11.0
  331   3   1   8 41.278  82.555   0.428    3.11    8       25.6        2.2
  332  10   3   2 41.3    82.6     0.428    3.11    8       23.2        1.8
  333  12   2   2 41.396  82.791   0.429    3.1     8        5.7        0.1
  334   4   3   6 41.484  82.968   0.43     3.09    8        9.9        0.3
  335   7   4   1 41.512  83.024   0.43     3.08    8       24.5        2.0
  336   3   4   4 41.515  83.03    0.43     3.08    8       12.9        0.6
  337   5   2   7 41.538  83.075   0.43     3.08    8      107.9       39.1
  338  13   0   3 41.89   83.781   0.433    3.05    4       33.3        1.8
  339   7   3   5 41.97   83.94    0.434    3.04    8       60.2       12.0
  340   8   2   6 42.112  84.224   0.435    3.03    8       11.1        0.4
  341   8   0   7 42.12   84.24    0.435    3.03    4       27.7        1.3
  342  12   1   4 42.201  84.402   0.436    3.02    8        1.8        0.0
  343   4   1   8 42.21   84.42    0.436    3.02    8        5.4        0.1
  344   5   0   8 42.256  84.512   0.436    3.02    4       42.7        3.0
  345  14   0   0 42.288  84.576   0.437    3.01    2       12.2        0.1
  346  10   0   6 42.295  84.589   0.437    3.01    4       25.0        1.0
  347  11   1   5 42.336  84.671   0.437    3.01    8       30.0        3.0
  348   4   4   4 42.447  84.893   0.438    3.0     8       22.4        1.6
  349   7   4   2 42.577  85.154   0.439    2.99    8        0.7        0.0
  350  11   2   4 42.596  85.191   0.439    2.99    8        6.5        0.1
  351   6   4   3 42.622  85.245   0.44     2.98    8       55.8       10.1
  352  14   0   1 42.642  85.285   0.44     2.98    4       13.3        0.3
  353   5   3   6 42.681  85.363   0.44     2.98    8       27.1        2.4
  354  10   2   5 42.996  85.991   0.443    2.95    8        3.2        0.0
  355   6   2   7 43.0    86.0     0.443    2.95    8       50.5        8.2
  356  11   3   1 43.028  86.057   0.443    2.95    8        3.6        0.0
  357   9   3   4 43.031  86.063   0.443    2.95    8       16.5        0.9
  358  13   1   3 43.041  86.081   0.443    2.95    8        5.5        0.1
  359  10   3   3 43.074  86.148   0.443    2.95    8       34.3        3.8
  360   8   4   0 43.152  86.303   0.444    2.94    4      123.9       24.6
  361  12   2   3 43.169  86.339   0.444    2.94    8       37.8        4.6
  362   8   1   7 43.269  86.539   0.445    2.93    8       47.2        7.1
  363   5   1   8 43.405  86.81    0.446    2.92    8       19.6        1.2
  364  14   1   0 43.437  86.874   0.446    2.92    4      133.9       28.6
  365  10   1   6 43.444  86.887   0.446    2.92    8       69.0       15.2
  366   8   4   1 43.505  87.011   0.447    2.92    8       64.6       13.3
  367   0   2   8 43.533  87.067   0.447    2.92    4       66.8        7.1
  368   5   4   4 43.641  87.281   0.448    2.91    8       75.2       17.9
  369   1   4   5 43.642  87.285   0.448    2.91    8        2.5        0.0
  370  13   2   1 43.654  87.308   0.448    2.91    8       16.6        0.9
  371   1   2   8 43.666  87.332   0.448    2.91    8        5.5        0.1
  372  14   0   2 43.704  87.408   0.448    2.9     4       23.3        0.9
  373   6   0   8 43.715  87.431   0.449    2.9     4       54.6        4.7
  374  14   1   1 43.79   87.581   0.449    2.9     8       17.6        1.0
  375   8   3   5 43.961  87.922   0.451    2.89    8       35.5        4.0
  376   0   3   7 43.965  87.931   0.451    2.89    4       57.8        5.2
  377   2   4   5 44.04   88.08    0.451    2.88    8       60.5       11.5
  378   2   2   8 44.063  88.126   0.451    2.88    8       18.7        1.1
  379  11   3   2 44.089  88.178   0.452    2.88    8       34.9        3.8
  380   1   3   7 44.098  88.196   0.452    2.88    8       11.3        0.4
  381   6   3   6 44.139  88.279   0.452    2.88    8        3.4        0.0
  382  12   0   5 44.238  88.475   0.453    2.87    4       76.1        9.1
  383   7   4   3 44.346  88.691   0.454    2.86    8        6.4        0.1
  384   9   2   6 44.367  88.734   0.454    2.86    8       15.2        0.7
  385  13   0   4 44.368  88.737   0.454    2.86    4        5.7        0.1
  386   9   0   7 44.375  88.749   0.454    2.86    4       45.2        3.2
  387   2   3   7 44.495  88.99    0.455    2.86    8       52.7        8.6
  388   8   4   2 44.565  89.131   0.455    2.85    8       56.9       10.1
  389   3   4   5 44.702  89.403   0.457    2.84    8       37.8        4.4
  390  13   2   2 44.714  89.427   0.457    2.84    8        8.4        0.2
  391   7   2   7 44.722  89.444   0.457    2.84    8       19.1        1.1
  392   3   2   8 44.725  89.45    0.457    2.84    8       18.3        1.0
  393  14   1   2 44.85   89.7     0.458    2.84    8       27.3        2.3
  394   6   1   8 44.861  89.723   0.458    2.84    8       68.6       14.5


  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   2   0   0   5.516  11.032  8.01355       95.3     12.4     12.6     5.6
    2   0   0   2   9.033  18.067  4.90595      177.0     23.0     23.2     5.6
    3   0   1   1   9.308  18.615  4.76257       10.8      1.4      1.4     5.6
    4   1   0   2   9.451  18.902  4.69109       31.8      4.1      4.2     5.6
    5   1   1   1   9.714  19.428  4.56527       78.9     10.2     10.3     5.6
    6   2   0   2  10.608  21.217  4.18412       25.0      3.2      3.3     5.6
    7   4   0   0  11.084  22.168  4.00677       92.5     12.0     12.1     5.6
    8   4   0   1  11.985  23.97   3.70941       59.2      7.7      7.7     5.6
    9   3   0   2  12.308  24.616  3.61348       88.6     11.5     11.6     5.6
   10   3   1   1  12.514  25.027  3.55503      243.0     31.5     31.7     5.6
   11   4   0   2  14.372  28.744  3.1033        72.7      9.4      9.5     5.6
   12   4   1   1  14.55   29.101  3.06604       46.7      6.1      6.1     5.6
   13   5   0   1  14.643  29.287  3.04695      126.0     16.4     16.4     5.6
   14   2   0   3  14.737  29.473  3.02814       74.4      9.7      9.7     5.6
   15   3   1   2  14.821  29.643  3.0112        10.9      1.4      1.4     5.6
   16   0   1   3  15.944  31.889  2.80403      770.3    100.0    100.0     5.6
   17   1   1   3  16.193  32.386  2.76208      109.0     14.1     14.1     5.6
   18   0   2   0  16.428  32.856  2.72365      321.2     41.7     41.7     5.6
   19   5   0   2  16.682  33.363  2.68342      294.2     38.2     38.2     5.7
   20   6   0   0  16.76   33.52   2.67118      176.8     23.0     22.9     5.7
   21   5   1   1  16.838  33.676  2.65922      580.1     75.3     75.2     5.7
   22   2   1   3  16.92   33.84   2.64668       74.3      9.7      9.6     5.7
   23   1   2   1  17.302  34.605  2.58992       17.4      2.3      2.3     5.7
   24   2   2   0  17.38   34.759  2.57877      154.6     20.1     20.0     5.7
   25   3   1   3  18.074  36.148  2.48282      131.0     17.0     16.9     5.7
   26   0   0   4  18.302  36.603  2.45298       12.0      1.6      1.6     5.7
   27   1   0   4  18.522  37.045  2.42474       52.2      6.8      6.7     5.7
   28   5   1   2  18.662  37.325  2.40719       11.7      1.5      1.5     5.7
   29   0   2   2  18.873  37.746  2.38129       64.8      8.4      8.4     5.7
   30   1   2   2  19.088  38.176  2.35543      236.0     30.6     30.5     5.7
   31   2   0   4  19.172  38.344  2.34555       44.6      5.8      5.8     5.7
   32   6   1   1  19.307  38.614  2.32976       48.0      6.2      6.2     5.7
   33   4   1   3  19.59   39.181  2.29734      132.6     17.2     17.1     5.7
   34   5   0   3  19.662  39.324  2.28928       10.7      1.4      1.4     5.7
   35   2   2   2  19.722  39.443  2.28264      202.9     26.3     26.2     5.7
   36   7   0   1  20.21   40.42   2.22969       27.6      3.6      3.6     5.7
   37   1   1   4  20.348  40.697  2.21519       43.2      5.6      5.6     5.7
   38   4   2   1  20.54   41.08   2.1954       103.4     13.4     13.3     5.7
   39   3   2   2  20.741  41.483  2.175         36.1      4.7      4.6     5.7
   40   2   1   4  20.95   41.9    2.15432        9.8      1.3      1.3     5.7
   41   1   2   3  21.787  43.574  2.07534       53.4      6.9      6.9     5.7
   42   6   0   3  21.859  43.718  2.06887       68.1      8.8      8.7     5.7
   43   3   1   4  21.923  43.845  2.06314       30.7      4.0      3.9     5.7
   44   5   2   1  22.292  44.585  2.03063      178.0     23.1     22.8     5.7
   45   2   2   3  22.357  44.714  2.02503      178.5     23.2     22.9     5.7
   46   8   0   0  22.612  45.224  2.00339      124.1     16.1     15.9     5.7
   47   8   0   1  23.105  46.211  1.96289       65.6      8.5      8.4     5.7
   48   4   1   4  23.229  46.459  1.95298       15.4      2.0      2.0     5.7
   49   5   0   4  23.292  46.584  1.94802       95.4     12.4     12.2     5.7
   50   7   1   2  23.408  46.816  1.93889       22.2      2.9      2.8     5.7
   51   5   2   2  23.764  47.527  1.91153      122.9     16.0     15.7     5.7
   52   2   0   5  23.836  47.672  1.90606       50.3      6.5      6.4     5.7
   53   8   1   0  24.184  48.368  1.88026       39.9      5.2      5.1     5.7
   54   8   0   2  24.539  49.078  1.8547        35.0      4.5      4.5     5.7
   55   3   0   5  24.719  49.438  1.84204       15.6      2.0      2.0     5.7
   56   5   1   4  24.831  49.662  1.83426       39.9      5.2      5.1     5.7
   57   1   2   4  25.171  50.342  1.81105      207.4     26.9     26.4     5.8
   58   2   1   5  25.35   50.7    1.7991        31.6      4.1      4.0     5.8
   59   2   2   4  25.683  51.366  1.77732       22.8      3.0      2.9     5.8
   60   3   2   4  26.521  53.041  1.72508       17.5      2.3      2.2     5.8
   61   6   1   4  26.691  53.382  1.71488       13.9      1.8      1.8     5.8
   62   3   3   1  27.057  54.114  1.69338       34.8      4.5      4.4     5.8
   63   4   1   5  27.347  54.694  1.67679       29.0      3.8      3.7     5.8
   64   9   0   2  27.398  54.795  1.67392       31.4      4.1      4.0     5.8
   65   9   1   1  27.503  55.006  1.668         57.7      7.5      7.3     5.8
   66   7   2   2  27.821  55.642  1.65045       56.9      7.4      7.2     5.8
   67   6   2   3  27.875  55.751  1.64748        8.6      1.1      1.1     5.8
   68   0   0   6  28.101  56.202  1.63532       15.7      2.0      2.0     5.8
   69   1   0   6  28.26   56.52   1.62687       23.3      3.0      2.9     5.8
   70   8   2   0  28.509  57.018  1.61383       25.5      3.3      3.2     5.8
   71  10   0   0  28.725  57.451  1.60271       19.9      2.6      2.5     5.8
   72   5   1   5  28.782  57.563  1.59984      149.3     19.4     18.8     5.8
   73   0   3   3  29.026  58.052  1.58752      112.3     14.6     14.2     5.8
   74   5   2   4  29.088  58.175  1.58447      231.3     30.0     29.2     5.8
   75   6   0   5  29.148  58.295  1.58148       15.4      2.0      1.9     5.8
   76   1   3   3  29.182  58.364  1.57979       22.8      3.0      2.9     5.8
   77   3   0   6  29.512  59.023  1.5637       142.0     18.4     17.9     5.8
   78   5   3   1  29.593  59.186  1.5598       102.4     13.3     12.9     5.8
   79   2   3   3  29.646  59.292  1.55726       13.0      1.7      1.6     5.8
   80  10   1   0  30.065  60.13   1.53754       73.4      9.5      9.2     5.8
   81   8   2   2  30.163  60.326  1.53302       18.3      2.4      2.3     5.8
   82   3   2   5  30.32   60.639  1.52584        9.8      1.3      1.2     5.8
   83   3   3   3  30.41   60.819  1.52176       27.8      3.6      3.5     5.8
   84  10   1   1  30.471  60.941  1.519        104.3     13.5     13.1     5.8
   85   4   0   6  30.581  61.161  1.51407       57.9      7.5      7.3     5.8
   86   5   3   2  30.811  61.622  1.50384       12.9      1.7      1.6     5.8
   87   8   1   4  31.076  62.152  1.49229       10.5      1.4      1.3     5.8
   88   6   3   1  31.26   62.52   1.48439       13.0      1.7      1.6     5.8
   89   4   2   5  31.372  62.744  1.47963       11.1      1.4      1.4     5.9
   90   4   3   3  31.46   62.92   1.4759        27.6      3.6      3.4     5.9
   91   9   0   4  32.311  64.622  1.44108       36.8      4.8      4.6     5.9
   92  10   0   3  32.358  64.717  1.4392        30.5      4.0      3.8     5.9
   93   7   1   5  32.409  64.818  1.4372        26.9      3.5      3.4     5.9
   94   7   2   4  32.695  65.389  1.42602      188.7     24.5     23.5     5.9
   95   5   1   6  33.187  66.373  1.40725       13.2      1.7      1.6     5.9
   96   0   2   6  33.326  66.653  1.40202       36.8      4.8      4.6     5.9
   97   1   2   6  33.47   66.941  1.39668       90.9     11.8     11.3     5.9
   98   2   0   7  33.909  67.818  1.38074       19.5      2.5      2.4     5.9
   99   0   4   0  34.446  68.891  1.36182      225.8     29.3     28.0     5.9
  100   8   1   5  34.567  69.133  1.35765       19.9      2.6      2.5     5.9
  101   3   2   6  34.612  69.224  1.3561        40.9      5.3      5.1     5.9
  102  11   1   2  34.704  69.408  1.35295        8.2      1.1      1.0     5.9
  103   8   2   4  34.843  69.687  1.34821        9.3      1.2      1.2     5.9
  104   8   3   0  34.927  69.854  1.34539        9.4      1.2      1.2     5.9
  105   2   1   7  35.136  70.272  1.33841       14.9      1.9      1.8     5.9
  106  10   2   2  35.403  70.807  1.32961      160.5     20.8     19.8     5.9
  107   5   3   4  35.445  70.891  1.32824       15.3      2.0      1.9     5.9
  108   9   0   5  35.74   71.479  1.31874       10.7      1.4      1.3     5.9
  109   2   3   5  35.866  71.733  1.3147        10.5      1.4      1.3     5.9
  110   7   1   6  36.574  73.148  1.29272       10.8      1.4      1.3     6.0
  111   5   2   6  36.846  73.692  1.28452       13.4      1.7      1.6     6.0
  112  11   2   1  37.206  74.412  1.27386       29.4      3.8      3.6     6.0
  113  10   2   3  37.253  74.507  1.27248       83.5     10.8     10.2     6.0
  114   4   3   5  37.524  75.048  1.26464        7.7      1.0      0.9     6.0
  115   9   3   1  37.656  75.312  1.26085       21.2      2.7      2.6     6.0
  116  11   0   4  37.945  75.889  1.25269       11.5      1.5      1.4     6.0
  117   5   1   7  38.041  76.081  1.25001       20.9      2.7      2.6     6.0
  118   8   2   5  38.168  76.336  1.24647       55.1      7.1      6.7     6.0
  119   1   2   7  38.309  76.618  1.24258       26.3      3.4      3.2     6.0
  120  10   0   5  38.355  76.71   1.24132       29.1      3.8      3.6     6.0
  121   8   1   6  38.628  77.255  1.23392        8.2      1.1      1.0     6.0
  122   5   3   5  38.75   77.5    1.23063       61.6      8.0      7.5     6.0
  123   0   0   8  38.905  77.811  1.22649       26.2      3.4      3.2     6.0
  124   5   4   2  39.368  78.735  1.21439       52.8      6.9      6.4     6.0
  125   6   4   0  39.412  78.824  1.21325       24.2      3.1      2.9     6.0
  126   2   0   8  39.446  78.892  1.21237       23.1      3.0      2.8     6.0
  127  10   1   5  39.527  79.054  1.21029       22.7      2.9      2.8     6.0
  128   9   0   6  39.755  79.51   1.20449        8.7      1.1      1.1     6.0
  129  10   2   4  39.79   79.581  1.2036        18.1      2.3      2.2     6.0
  130  10   3   0  39.87   79.741  1.20159       28.8      3.7      3.5     6.0
  131  11   2   3  40.103  80.206  1.19579       19.2      2.5      2.3     6.0
  132  10   3   1  40.229  80.457  1.19268       52.9      6.9      6.4     6.0
  133   9   2   5  40.464  80.927  1.18693       41.2      5.4      5.0     6.1
  134   6   4   2  40.845  81.69   1.17777       12.9      1.7      1.6     6.1
  135   7   1   7  41.275  82.55   1.16767       18.3      2.4      2.2     6.1
  136   5   2   7  41.538  83.075  1.16162       41.7      5.4      5.0     6.1
  137   7   3   5  41.97   83.94   1.15183       12.0      1.6      1.4     6.1
  138   6   4   3  42.622  85.245  1.13751       10.4      1.4      1.2     6.1
  139   6   2   7  43.0    86.0    1.12944        8.3      1.1      1.0     6.1
  140   8   4   0  43.152  86.303  1.12625       29.2      3.8      3.5     6.1
  141  14   1   0  43.437  86.874  1.12032       43.7      5.7      5.2     6.1
  142   8   4   1  43.505  87.011  1.11891       20.4      2.6      2.4     6.1
  143   5   4   4  43.641  87.281  1.11613       18.9      2.5      2.3     6.2
  144   0   3   7  43.965  87.931  1.10956        9.2      1.2      1.1     6.2
  145   2   4   5  44.04   88.08   1.10807       12.6      1.6      1.5     6.2
  146  12   0   5  44.238  88.475  1.10413        9.1      1.2      1.1     6.2
  147   2   3   7  44.495  88.99   1.09907        8.6      1.1      1.0     6.2
  148   8   4   2  44.565  89.131  1.0977        10.1      1.3      1.2     6.2
  149   6   1   8  44.861  89.723  1.09198       16.8      2.2      2.0     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)