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       ***
                  ***********************
MANANDONITE

1, 2H2, f-Li-chlorite

LiAl(4)BSi(3)O(10)(OH)(8)


Triclinic  C 1  Z = 2

C1

21 .12 .1999

Ref.Str.:

         Zheng H., Bailey S.W. (1995)

         * Amer. Mineral., 80, 387-393

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =   5.07     alpha =   90.09
             b =   8.776    beta  =   90.12
             c =  13.778    gamma =   89.97

    Unit cell volume (cub. angs.) =   613.04

    Molar volume ( cub.cm/mol.) =   184.63

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

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

   1 0.1693  0.1705  0.225    0.0    Al    = 0.71, Li    = 0.29
   2 0.677   0.0003  0.2256   0.0    Al    = 0.71, Li    = 0.28
   3 0.6739  0.3347  0.2247   0.0    Al    = 0.6 , Li    = 0.39
   4 0.012   0.0002  0.0298   0.0    Si    = 0.62, Al    = 0.29, B     = 0.09
   5 0.0149  0.3328  0.0298   0.0    Si    = 0.4 , Al    = 0.14, B     = 0.46
   6 0.0099  0.0006  0.1506   0.0    O     = 1.00
   7 0.0166  0.3345  0.1456   0.0    O     = 1.00
   8 0.1109  0.1703  0.9903   0.0    O     = 1.00
   9 0.2106  0.4612  0.9886   0.0    O     = 1.00
  10 0.2212  0.8668  0.9904   0.0    O     = 1.00
  11 0.5106  0.1632  0.1498   0.0    OH    = 1.00
  12 0.3458  0.0099  0.2936   0.0    OH    = 1.00
  13 0.3385  0.3392  0.2954   0.0    OH    = 1.00
  14 0.8489  0.1665  0.2977   0.0    OH    = 1.00
  15 0.3377  0.3244  0.7244   0.0    Al    = 0.58, Li    = 0.41
  16 0.8388  0.4972  0.7261   0.0    Al    = 0.72, Li    = 0.28
  17 0.8444  0.1633  0.7265   0.0    Al    = 0.73, Li    = 0.26
  18 0.0131  0.9989  0.5305   0.0    Si    = 0.6 , Al    = 0.27, B     = 0.13
  19 0.5111  0.163   0.5304   0.0    Si    = 0.41, Al    = 0.15, B     = 0.44
  20 0.0218  0.0044  0.6517   0.0    O     = 1.00
  21 0.5109  0.1563  0.6464   0.0    O     = 1.00
  22 0.3134  0.0367  0.4874   0.0    O     = 1.00
  23 0.4127  0.3272  0.4948   0.0    O     = 1.00
  24 0.803   0.131   0.4907   0.0    O     = 1.00
  25 0.0032  0.3302  0.65     0.0    OH    = 1.00
  26 0.6824  0.323   0.7943   0.0    OH    = 1.00
  27 0.1619  0.4945  0.7945   0.0    OH    = 1.00
  28 0.1686  0.1556  0.7996   0.0    OH    = 1.00
  29 0.5271  0.189   0.0894   0.0    H     = 1.00
  30 0.3193  0.0192  0.3589   0.0    H     = 1.00
  31 0.3639  0.3464  0.3606   0.0    H     = 1.00
  32 0.8268  0.155   0.3621   0.0    H     = 1.00
  33 0.9866  0.3046  0.5903   0.0    H     = 1.00
  34 0.6961  0.3379  0.8601   0.0    H     = 1.00
  35 0.6895  0.9835  0.8598   0.0    H     = 1.00
  36 0.1443  0.1645  0.8648   0.0    H     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1693     0.1705     0.225 
     2       2     0.677      0.0003     0.2256
     3       3     0.6739     0.3347     0.2247
     4       4     0.012      0.0002     0.0298
     5       5     0.0149     0.3328     0.0298
     6       6     0.0099     0.0006     0.1506
     7       7     0.0166     0.3345     0.1456
     8       8     0.1109     0.1703     0.9903
     9       9     0.2106     0.4612     0.9886
    10      10     0.2212     0.8668     0.9904
    11      11     0.5106     0.1632     0.1498
    12      12     0.3458     0.0099     0.2936
    13      13     0.3385     0.3392     0.2954
    14      14     0.8489     0.1665     0.2977
    15      15     0.3377     0.3244     0.7244
    16      16     0.8388     0.4972     0.7261
    17      17     0.8444     0.1633     0.7265
    18      18     0.0131     0.9989     0.5305
    19      19     0.5111     0.163      0.5304
    20      20     0.0218     0.0044     0.6517
    21      21     0.5109     0.1563     0.6464
    22      22     0.3134     0.0367     0.4874
    23      23     0.4127     0.3272     0.4948
    24      24     0.803      0.131      0.4907
    25      25     0.0032     0.3302     0.65  
    26      26     0.6824     0.323      0.7943
    27      27     0.1619     0.4945     0.7945
    28      28     0.1686     0.1556     0.7996
    29      29     0.5271     0.189      0.0894
    30      30     0.3193     0.0192     0.3589
    31      31     0.3639     0.3464     0.3606
    32      32     0.8268     0.155      0.3621
    33      33     0.9866     0.3046     0.5903
    34      34     0.6961     0.3379     0.8601
    35      35     0.6895     0.9835     0.8598
    36      36     0.1443     0.1645     0.8648
    37       1     0.6693     0.6705     0.225 
    38       2     0.177      0.5003     0.2256
    39       3     0.1739     0.8347     0.2247
    40       4     0.512      0.5002     0.0298
    41       5     0.5149     0.8328     0.0298
    42       6     0.5099     0.5006     0.1506
    43       7     0.5166     0.8345     0.1456
    44       8     0.6109     0.6703     0.9903
    45       9     0.7106     0.9612     0.9886
    46      10     0.7212     0.3668     0.9904
    47      11     0.0106     0.6632     0.1498
    48      12     0.8458     0.5099     0.2936
    49      13     0.8385     0.8392     0.2954
    50      14     0.3489     0.6665     0.2977
    51      15     0.8377     0.8244     0.7244
    52      16     0.3388     0.9972     0.7261
    53      17     0.3444     0.6633     0.7265
    54      18     0.5131     0.4989     0.5305
    55      19     0.0111     0.663      0.5304
    56      20     0.5218     0.5044     0.6517
    57      21     0.0109     0.6563     0.6464
    58      22     0.8134     0.5367     0.4874
    59      23     0.9127     0.8272     0.4948
    60      24     0.303      0.631      0.4907
    61      25     0.5032     0.8302     0.65  
    62      26     0.1824     0.823      0.7943
    63      27     0.6619     0.9945     0.7945
    64      28     0.6686     0.6556     0.7996
    65      29     0.0271     0.689      0.0894
    66      30     0.8193     0.5192     0.3589
    67      31     0.8639     0.8464     0.3606
    68      32     0.3268     0.655      0.3621
    69      33     0.4866     0.8046     0.5903
    70      34     0.1961     0.8379     0.8601
    71      35     0.1895     0.4835     0.8598
    72      36     0.6443     0.6645     0.8648


X-ray density (g/cm cub.)   =      2.81

MU (1/cm) =      72.173    Mass attenuation coefficient (cm**2/g) =     25.693

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

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

    1   Al   ,Li             2.496        6
                                                 1.9799       6
                                                 1.9667       7
                                                 2.0197      11
                                                 1.9183      12
                                                 1.9652      13
                                                 1.9106      14
    2   Al   ,Li             2.496        6
                                                 1.9809       6
                                                 1.9611      11
                                                 1.9263      12
                                                 1.9665      14
                                                 1.9965       7
                                                 1.8958      13
    3   Al   ,Li             2.496        6
                                                 2.0529       7
                                                 2.0021      11
                                                 1.9618      13
                                                 1.9943      14
                                                 1.963        6
                                                 2.0045      12
    4   Si   ,Al   ,B        2.364        4
                                                 1.6644       6
                                                 1.6675       8
                                                 1.6701      10
                                                 1.6646       9
    5   Si   ,Al   ,B        2.364        4
                                                 1.5955       7
                                                 1.6015       8
                                                 1.6069       9
                                                 1.6117      10
    6    O                   3.312       12
                                                 2.9314       7
                                                 2.7155       8
                                                 2.7201      10
                                                 2.9128      11
                                                 2.9053      11
                                                 2.6028      12
                                                 2.6249      14
                                                 2.9539       7
                                                 2.8961       7
                                                 2.7181       9
                                                 2.961       11
                                                 2.5998      13
    7    O                   3.312       12
                                                 2.9314       6
                                                 2.6225       8
                                                 2.6269       9
                                                 2.921       11
                                                 2.9748      11
                                                 2.6288      13
                                                 2.7031      14
                                                 2.8961       6
                                                 2.9539       6
                                                 2.6237      10
                                                 2.8853      11
                                                 2.697       12
    8    O                   3.312        8
                                                 2.7155       6
                                                 2.6225       7
                                                 2.6029       9
                                                 2.7213      10
                                                 2.9869      11
                                                 2.6472      28
                                                 2.7369       9
                                                 2.6218      10
    9    O                   3.312        8
                                                 2.6269       7
                                                 2.6029       8
                                                 2.7015      27
                                                 2.7181       6
                                                 2.7369       8
                                                 2.7177      10
                                                 2.6165      10
                                                 3.0164      11
   10    O                   3.312        8
                                                 2.7201       6
                                                 2.7213       8
                                                 2.6237       7
                                                 2.6218       8
                                                 2.6165       9
                                                 2.7177       9
                                                 3.0299      11
                                                 2.7352      26
   11    OH                  3.36        12
                                                 2.9053       6
                                                 2.9128       6
                                                 2.9748       7
                                                 2.921        7
                                                 2.9869       8
                                                 2.5397      12
                                                 2.6772      13
                                                 2.6609      14
                                                 2.961        6
                                                 2.8853       7
                                                 3.0164       9
                                                 3.0299      10
   12    OH                  3.36        10
                                                 2.6028       6
                                                 2.5397      11
                                                 2.8902      13
                                                 2.8984      14
                                                 2.8697      14
                                                 2.6855      22
                                                 2.697        7
                                                 2.9122      13
                                                 2.9773      13
                                                 3.0143      14
   13    OH                  3.36        10
                                                 2.6288       7
                                                 2.6772      11
                                                 2.8902      12
                                                 2.9984      14
                                                 2.9093      14
                                                 2.7743      23
                                                 2.5998       6
                                                 2.9773      12
                                                 2.9122      12
                                                 2.873       14
   14    OH                  3.36        10
                                                 2.6249       6
                                                 2.7031       7
                                                 2.6609      11
                                                 2.8697      12
                                                 2.8984      12
                                                 2.9093      13
                                                 2.9984      13
                                                 2.6884      24
                                                 3.0143      12
                                                 2.873       13
   15   Al   ,Li             2.496        6
                                                 2.0248      21
                                                 1.9805      25
                                                 1.9937      26
                                                 1.9883      27
                                                 2.0032      28
                                                 2.0929      20
   16   Al   ,Li             2.496        6
                                                 1.9848      25
                                                 1.9641      26
                                                 1.8883      27
                                                 1.9055      20
                                                 1.9816      21
                                                 1.9237      28
   17   Al   ,Li             2.496        6
                                                 1.9529      20
                                                 2.0181      21
                                                 1.9784      25
                                                 1.8733      26
                                                 1.9271      28
                                                 1.9844      27
   18   Si   ,Al   ,B        2.364        4
                                                 1.671       20
                                                 1.669       22
                                                 1.6666      24
                                                 1.664       23
   19   Si   ,Al   ,B        2.364        4
                                                 1.5994      21
                                                 1.6065      22
                                                 1.602       23
                                                 1.6034      24
   20    O                   3.312       12
                                                 2.8171      21
                                                 2.9134      21
                                                 2.7216      22
                                                 2.7169      24
                                                 2.8609      25
                                                 2.5403      28
                                                 3.0562      21
                                                 2.7171      23
                                                 2.8794      25
                                                 3.0422      25
                                                 2.6569      26
                                                 2.6877      27
   21    O                   3.312       12
                                                 2.9134      20
                                                 2.8171      20
                                                 2.6245      22
                                                 2.6201      23
                                                 2.6184      24
                                                 2.9265      25
                                                 2.9922      25
                                                 2.652       26
                                                 2.7355      28
                                                 3.0562      20
                                                 2.8626      25
                                                 2.6014      27
   22    O                   3.312        8
                                                 2.6855      12
                                                 2.7216      20
                                                 2.6245      21
                                                 2.6007      23
                                                 2.6173      24
                                                 2.7169      24
                                                 2.7429      23
                                                 3.0383      25
   23    O                   3.312        8
                                                 2.7743      13
                                                 2.6201      21
                                                 2.6007      22
                                                 2.623       24
                                                 2.9836      25
                                                 2.7171      20
                                                 2.7429      22
                                                 2.7239      24
   24    O                   3.312        8
                                                 2.6884      14
                                                 2.7169      20
                                                 2.6184      21
                                                 2.7169      22
                                                 2.6173      22
                                                 2.623       23
                                                 2.9806      25
                                                 2.7239      23
   25    OH                  3.36        12
                                                 2.8609      20
                                                 2.9922      21
                                                 2.9265      21
                                                 2.9836      23
                                                 2.9806      24
                                                 2.5722      26
                                                 2.5837      27
                                                 2.702       28
                                                 3.0422      20
                                                 2.8794      20
                                                 2.8626      21
                                                 3.0383      22
   26    OH                  3.36        10
                                                 2.652       21
                                                 2.5722      25
                                                 2.8599      27
                                                 3.0373      27
                                                 2.8698      28
                                                 2.9924      28
                                                 2.7352      10
                                                 2.6569      20
                                                 2.8848      27
                                                 2.9205      28
   27    OH                  3.36        10
                                                 2.7015       9
                                                 2.5837      25
                                                 3.0373      26
                                                 2.8599      26
                                                 2.9753      28
                                                 2.6877      20
                                                 2.6014      21
                                                 2.8848      26
                                                 2.9336      28
                                                 2.8733      28
   28    OH                  3.36        10
                                                 2.6472       8
                                                 2.5403      20
                                                 2.7355      21
                                                 2.702       25
                                                 2.9924      26
                                                 2.8698      26
                                                 2.9753      27
                                                 2.9205      26
                                                 2.8733      27
                                                 2.9336      27
   29    H                   1.68         1
                                                 0.867       11
   30    H                   1.68         1
                                                 0.9135      12
   31    H                   1.68         1
                                                 0.9093      13
   32    H                   1.68         1
                                                 0.9004      14
   33    H                   1.68         1
                                                 0.8563      25
   34    H                   1.68         1
                                                 0.9183      26
   35    H                   1.68         1
                                                 0.9155      27
   36    H                   1.68         1
                                                 0.9102      28

  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   0   0   1  3.205   6.41    0.036  636.89    2        1.2        0.5
    2   0   0   2  6.42   12.84    0.073  157.01    2       91.1      693.9
    3   0   0   3  9.655  19.311   0.109   68.18    2        0.7        0.0
    4   1   1   0 10.103  20.206   0.114   62.08    2       31.0       31.8
    5  -1   1   0 10.108  20.215   0.114   62.02    2       31.2       32.1
    6   0   2   0 10.11   20.22    0.114   61.99    2       37.7       46.8
    7  -1  -1   1 10.601  21.203   0.119   56.18    2       46.3       64.2
    8  -1   1   1 10.611  21.221   0.12    56.08    2       50.7       76.7
    9   0  -2   1 10.611  21.223   0.12    56.07    2       45.9       62.8
   10   1  -1   1 10.617  21.234   0.12    56.01    2       37.0       40.7
   11   1   1   1 10.618  21.235   0.12    56.01    2       37.8       42.6
   12   0   2   1 10.621  21.242   0.12    55.97    2       44.0       57.8
   13  -1  -1   2 11.992  23.985   0.135   43.45    2       32.0       23.7
   14   0  -2   2 12.004  24.008   0.135   43.36    2       29.2       19.7
   15  -1   1   2 12.005  24.01    0.135   43.35    2       32.9       25.0
   16   1  -1   2 12.016  24.033   0.135   43.27    2       32.6       24.4
   17   1   1   2 12.021  24.042   0.135   43.23    2       29.0       19.3
   18   0   2   2 12.021  24.043   0.135   43.23    2       25.7       15.2
   19   0   0   4 12.922  25.844   0.145   37.13    2      159.7      504.2
   20  -1  -1   3 14.027  28.054   0.157   31.21    2       37.3       23.1
   21   0  -2   3 14.04   28.08    0.157   31.15    2       36.6       22.2
   22  -1   1   3 14.042  28.084   0.157   31.14    2       31.2       16.1
   23   1  -1   3 14.057  28.113   0.158   31.07    2       42.3       29.6
   24   0   2   3 14.062  28.125   0.158   31.04    2       36.3       21.8
   25   1   1   3 14.064  28.129   0.158   31.03    2       43.3       31.0
   26   0   0   5 16.232  32.465   0.181   22.82    2        1.5        0.0
   27  -1  -1   4 16.491  32.982   0.184   22.05    2       24.0        6.7
   28   0  -2   4 16.504  33.008   0.184   22.01    2       26.2        8.0
   29  -1   1   4 16.507  33.013   0.184   22.0     2       27.3        8.7
   30   1  -1   4 16.524  33.047   0.185   21.96    2       25.9        7.9
   31   0   2   4 16.53   33.059   0.185   21.94    2       28.9        9.7
   32   1   1   4 16.534  33.067   0.185   21.93    2       29.0        9.8
   33   2   0   0 17.69   35.379   0.197   18.93    2       26.5        7.1
   34   1   3   0 17.694  35.388   0.197   18.92    2       21.0        4.4
   35  -1   3   0 17.702  35.404   0.197   18.9     2       28.5        8.2
   36  -2   0   1 17.99   35.979   0.2     18.24    2       78.3       59.6
   37  -1  -3   1 17.993  35.986   0.201   18.23    2       74.4       53.7
   38   2   0   1 18.003  36.007   0.201   18.21    2       79.7       61.6
   39   1  -3   1 18.008  36.016   0.201   18.2     2       81.1       63.7
   40   1   3   1 18.009  36.018   0.201   18.2     2       74.9       54.3
   41  -1   3   1 18.01   36.02    0.201   18.2     2       80.7       63.1
   42  -2   0   2 18.878  37.757   0.21    16.41    2      125.5      137.5
   43  -1  -3   2 18.88   37.761   0.21    16.4     2      134.2      157.3
   44   1  -3   2 18.902  37.803   0.21    16.36    2      117.5      120.3
   45   2   0   2 18.905  37.81    0.21    16.35    2      121.1      127.6
   46  -1   3   2 18.906  37.811   0.21    16.35    2      121.7      128.8
   47   1   3   2 18.911  37.822   0.21    16.34    2      131.3      149.8
   48  -1  -1   5 19.246  38.493   0.214   15.72    2       34.2        9.8
   49   0  -2   5 19.26   38.519   0.214   15.7     2       29.1        7.1
   50  -1   1   5 19.263  38.526   0.214   15.69    2       31.4        8.2
   51   1  -1   5 19.282  38.563   0.214   15.66    2       25.9        5.6
   52   0   2   5 19.288  38.576   0.214   15.64    2       26.0        5.6
   53   1   1   5 19.293  38.587   0.214   15.64    2       28.8        6.9
   54   0   0   6 19.599  39.199   0.218   15.1     2       99.0       78.8
   55  -2   0   3 20.29   40.579   0.225   13.98    2       50.4       18.9
   56  -1  -3   3 20.291  40.582   0.225   13.98    2       55.2       22.6
   57   1  -3   3 20.317  40.634   0.225   13.94    2       47.7       16.9
   58  -1   3   3 20.323  40.645   0.225   13.93    2       47.4       16.7
   59   2   0   3 20.327  40.654   0.225   13.92    2       48.1       17.1
   60   1   3   3 20.334  40.668   0.226   13.91    2       51.7       19.8
   61   2   2   0 20.539  41.078   0.228   13.61    2        7.7        0.4
   62  -2   2   0 20.548  41.097   0.228   13.59    2        4.2        0.1
   63   0   4   0 20.554  41.107   0.228   13.58    2        5.5        0.2
   64  -2  -2   1 20.801  41.602   0.231   13.23    2       14.4        1.5
   65  -2   2   1 20.816  41.632   0.231   13.2     2       11.1        0.9
   66   2   2   1 20.819  41.637   0.231   13.2     2       12.4        1.1
   67   0  -4   1 20.819  41.639   0.231   13.2     2       13.6        1.3
   68   2  -2   1 20.823  41.646   0.231   13.19    2       16.5        1.9
   69   0   4   1 20.83   41.66    0.231   13.18    2       16.8        2.0
   70  -2  -2   2 21.589  43.179   0.239   12.17    2       11.0        0.8
   71  -2   2   2 21.609  43.218   0.239   12.14    2       10.3        0.7
   72   0  -4   2 21.61   43.221   0.239   12.14    2       10.3        0.7
   73   2  -2   2 21.622  43.245   0.239   12.13    2       11.2        0.8
   74   2   2   2 21.623  43.247   0.239   12.12    2        7.9        0.4
   75   0   4   2 21.631  43.262   0.239   12.11    2        9.8        0.6
   76  -2   0   4 22.142  44.284   0.245   11.5     2       75.1       34.5
   77  -1  -3   4 22.142  44.284   0.245   11.49    2       69.7       29.7
   78   1  -3   4 22.172  44.344   0.245   11.46    2       76.8       35.9
   79  -1   3   4 22.179  44.358   0.245   11.45    2       76.0       35.2
   80   2   0   4 22.189  44.377   0.245   11.44    2       73.3       32.7
   81   1   3   4 22.196  44.391   0.245   11.43    2       73.2       32.6
   82  -1  -1   6 22.218  44.437   0.245   11.41    2       24.6        3.7
   83   0  -2   6 22.232  44.463   0.246   11.39    2       20.7        2.6
   84  -1   1   6 22.236  44.471   0.246   11.39    2       29.2        5.2
   85   1  -1   6 22.255  44.511   0.246   11.36    2       29.9        5.4
   86   0   2   6 22.262  44.524   0.246   11.36    2       22.1        3.0
   87   1   1   6 22.268  44.537   0.246   11.35    2       26.8        4.3
   88  -2  -2   3 22.86   45.719   0.252   10.7     2       16.7        1.6
   89   0  -4   3 22.883  45.766   0.252   10.67    2       18.8        2.0
   90  -2   2   3 22.883  45.767   0.252   10.67    2       15.8        1.4
   91   2  -2   3 22.903  45.805   0.253   10.65    2       23.3        3.1
   92   2   2   3 22.909  45.817   0.253   10.64    2       26.2        3.9
   93   0   4   3 22.913  45.825   0.253   10.64    2       17.1        1.7
   94   0   0   7 23.038  46.077   0.254   10.51    2        1.9        0.0
   95  -1  -3   5 24.358  48.716   0.268    9.26    2      129.1       82.1
   96  -2   0   5 24.359  48.717   0.268    9.26    2      130.8       84.3
   97   1  -3   5 24.392  48.783   0.268    9.23    2      130.0       83.0
   98  -1   3   5 24.4    48.799   0.268    9.23    2      130.7       83.9
   99   2   0   5 24.413  48.826   0.268    9.22    2      132.2       85.7
  100   1   3   5 24.42   48.841   0.268    9.21    2      129.6       82.4
  101  -2  -2   4 24.555  49.109   0.27     9.09    2       18.1        1.6
  102   0  -4   4 24.58   49.16    0.27     9.07    2       17.4        1.5
  103  -2   2   4 24.582  49.163   0.27     9.07    2       19.5        1.8
  104   2  -2   4 24.606  49.212   0.27     9.05    2       18.1        1.6
  105   2   2   4 24.616  49.233   0.27     9.04    2       15.6        1.2
  106   0   4   4 24.617  49.234   0.27     9.04    2       11.1        0.6
  107  -1  -1   7 25.369  50.738   0.278    8.44    2       21.1        2.0
  108   0  -2   7 25.383  50.765   0.278    8.43    2       18.7        1.6
  109  -1   1   7 25.387  50.774   0.278    8.43    2       15.4        1.1
  110   1  -1   7 25.408  50.816   0.279    8.41    2       23.1        2.4
  111   0   2   7 25.415  50.829   0.279    8.41    2       18.3        1.5
  112   1   1   7 25.422  50.844   0.279    8.4     2       26.5        3.1
  113   0   0   8 26.568  53.135   0.29     7.6     2       72.7       21.4
  114  -2  -2   5 26.617  53.233   0.291    7.57    2       30.7        3.8
  115   0  -4   5 26.643  53.286   0.291    7.55    2       30.4        3.7
  116  -2   2   5 26.646  53.293   0.291    7.55    2       31.6        4.0
  117   2  -2   5 26.675  53.351   0.291    7.53    2       18.4        1.4
  118   0   4   5 26.687  53.374   0.292    7.52    2       27.1        3.0
  119   2   2   5 26.689  53.379   0.292    7.52    2       21.4        1.8
  120  -1  -3   6 26.879  53.758   0.293    7.4     2       62.9       15.6
  121  -2   0   6 26.881  53.761   0.293    7.4     2       60.5       14.4
  122   1  -3   6 26.915  53.831   0.294    7.38    2       60.3       14.3
  123  -1   3   6 26.925  53.849   0.294    7.37    2       61.1       14.6
  124   2   0   6 26.941  53.882   0.294    7.36    2       59.3       13.8
  125   1   3   6 26.949  53.898   0.294    7.36    2       60.3       14.2
  126   3   1   0 27.653  55.306   0.301    6.94    2        1.7        0.0
  127   2   4   0 27.658  55.317   0.301    6.94    2       43.0        6.8
  128  -3   1   0 27.659  55.318   0.301    6.94    2       44.8        7.4
  129   1   5   0 27.667  55.335   0.301    6.93    2        1.5        0.0
  130  -2   4   0 27.674  55.348   0.301    6.93    2        3.3        0.0
  131  -1   5   0 27.677  55.354   0.302    6.93    2       49.6        9.1
  132  -3  -1   1 27.862  55.724   0.303    6.82    2       24.7        2.2
  133  -2  -4   1 27.866  55.733   0.303    6.82    2        7.2        0.2
  134  -3   1   1 27.87   55.74    0.303    6.82    2       13.1        0.6
  135  -1  -5   1 27.877  55.753   0.304    6.81    2       31.9        3.7
  136   3   1   1 27.879  55.758   0.304    6.81    2       24.9        2.2
  137   3  -1   1 27.882  55.765   0.304    6.81    2       13.5        0.7
  138   2   4   1 27.885  55.77    0.304    6.81    2       13.8        0.7
  139  -2   4   1 27.89   55.781   0.304    6.81    2       27.9        2.8
  140   1  -5   1 27.891  55.782   0.304    6.81    2       13.3        0.6
  141   2  -4   1 27.892  55.783   0.304    6.81    2       32.6        3.9
  142   1   5   1 27.892  55.784   0.304    6.8     2       30.5        3.4
  143  -1   5   1 27.897  55.794   0.304    6.8     2       13.7        0.7
  144  -3  -1   2 28.499  56.998   0.31     6.48    2        7.6        0.2
  145  -2  -4   2 28.502  57.005   0.31     6.48    2       46.6        7.5
  146  -3   1   2 28.509  57.017   0.31     6.48    2       40.9        5.8
  147  -1  -5   2 28.514  57.028   0.31     6.47    2       13.7        0.6
  148   3   1   2 28.532  57.064   0.31     6.46    2       12.8        0.6
  149   1  -5   2 28.533  57.066   0.31     6.46    2       43.3        6.4
  150   3  -1   2 28.534  57.067   0.31     6.46    2       35.7        4.4
  151  -2   4   2 28.534  57.069   0.31     6.46    2        8.7        0.3
  152   2  -4   2 28.537  57.074   0.31     6.46    2        8.4        0.2
  153   2   4   2 28.539  57.077   0.31     6.46    2       37.7        4.9
  154  -1   5   2 28.545  57.089   0.31     6.46    2       34.9        4.2
  155   1   5   2 28.545  57.089   0.31     6.46    2       16.2        0.9
  156  -1  -1   8 28.685  57.371   0.312    6.39    2       18.8        1.2
  157   0  -2   8 28.699  57.399   0.312    6.38    2       20.5        1.4
  158  -1   1   8 28.704  57.408   0.312    6.38    2       18.9        1.2
  159   1  -1   8 28.726  57.452   0.312    6.37    2       17.7        1.1
  160   0   2   8 28.733  57.466   0.312    6.36    2       19.4        1.3
  161   1   1   8 28.741  57.482   0.312    6.36    2       19.4        1.3
  162  -2  -2   6 28.997  57.994   0.315    6.23    2       18.9        1.2
  163   0  -4   6 29.025  58.05    0.315    6.22    2       26.3        2.3
  164  -2   2   6 29.03   58.059   0.315    6.22    2       22.4        1.7
  165   2  -2   6 29.062  58.125   0.315    6.2     2       22.7        1.7
  166   0   4   6 29.075  58.15    0.315    6.19    2       29.7        2.9
  167   2   2   6 29.08   58.159   0.315    6.19    2       24.0        1.9
  168  -3  -1   3 29.546  59.092   0.32     5.97    2       28.9        2.7
  169  -2  -4   3 29.549  59.098   0.32     5.97    2       20.6        1.3
  170  -3   1   3 29.558  59.115   0.32     5.97    2       21.7        1.5
  171  -1  -5   3 29.561  59.123   0.32     5.97    2       24.9        2.0
  172   1  -5   3 29.585  59.17    0.32     5.96    2       13.7        0.6
  173  -2   4   3 29.588  59.177   0.321    5.96    2       33.8        3.6
  174   2  -4   3 29.592  59.184   0.321    5.95    2       23.0        1.7
  175   3  -1   3 29.594  59.188   0.321    5.95    2       13.4        0.6
  176   3   1   3 29.595  59.19    0.321    5.95    2       28.6        2.6
  177  -1   5   3 29.602  59.203   0.321    5.95    2       19.3        1.2
  178   2   4   3 29.602  59.204   0.321    5.95    2       11.4        0.4
  179   1   5   3 29.607  59.213   0.321    5.95    2       27.6        2.4
  180  -1  -3   7 29.665  59.33    0.321    5.92    2       82.4       21.4
  181  -2   0   7 29.667  59.334   0.321    5.92    2       82.1       21.3
  182   1  -3   7 29.704  59.408   0.322    5.9     2       79.2       19.7
  183  -1   3   7 29.714  59.427   0.322    5.9     2       82.0       21.1
  184   2   0   7 29.733  59.467   0.322    5.89    2       81.7       20.9
  185   1   3   7 29.741  59.483   0.322    5.89    2       78.1       19.1
  186   0   0   9 30.209  60.419   0.327    5.68    2        1.7        0.0
  187  -3  -1   4 30.978  61.956   0.334    5.38    2       14.2        0.6
  188  -2  -4   4 30.98   61.96    0.334    5.37    2       36.1        3.7
  189  -3   1   4 30.991  61.983   0.334    5.37    2       35.1        3.5
  190  -1  -5   4 30.994  61.987   0.334    5.37    2       18.9        1.0
  191   1  -5   4 31.021  62.042   0.335    5.36    2       35.1        3.5
  192  -2   4   4 31.027  62.053   0.335    5.36    2       17.9        0.9
  193   2  -4   4 31.031  62.063   0.335    5.36    2       22.5        1.4
  194   3  -1   4 31.039  62.078   0.335    5.35    2       42.6        5.2
  195   3   1   4 31.041  62.083   0.335    5.35    2        8.7        0.2
  196  -1   5   4 31.043  62.085   0.335    5.35    2       38.1        4.1
  197   2   4   4 31.049  62.098   0.335    5.35    2       36.9        3.9
  198   1   5   4 31.052  62.104   0.335    5.35    2       10.6        0.3
  199  -2  -2   7 31.662  63.324   0.341    5.12    2       23.2        1.5
  200   0  -4   7 31.691  63.382   0.341    5.11    2       31.2        2.6
  201  -2   2   7 31.697  63.394   0.341    5.11    2       21.3        1.2
  202   2  -2   7 31.733  63.466   0.341    5.1     2       37.2        3.8
  203   0   4   7 31.746  63.493   0.342    5.09    2       28.0        2.1
  204   3   3   0 31.753  63.507   0.342    5.09    2      226.8      139.4
  205   2   2   7 31.754  63.507   0.342    5.09    2       35.1        3.3
  206  -3   3   0 31.769  63.539   0.342    5.09    2      227.3      139.8
  207   0   6   0 31.778  63.556   0.342    5.08    2      224.2      135.9
  208  -3  -3   1 31.943  63.887   0.343    5.03    2       14.2        0.5
  209   3   3   1 31.963  63.926   0.344    5.02    2       13.0        0.5
  210  -3   3   1 31.965  63.93    0.344    5.02    2        8.7        0.2
  211   0  -6   1 31.972  63.943   0.344    5.02    2       23.4        1.5
  212   3  -3   1 31.973  63.946   0.344    5.02    2        9.5        0.2
  213   0   6   1 31.983  63.967   0.344    5.01    2       21.5        1.2
  214  -1  -1   9 32.17   64.34    0.346    4.95    2       20.0        1.1
  215   0  -2   9 32.184  64.368   0.346    4.94    2       16.7        0.7
  216  -1   1   9 32.189  64.379   0.346    4.94    2       18.4        0.9
  217   1  -1   9 32.212  64.425   0.346    4.93    2       15.0        0.6
  218   0   2   9 32.219  64.439   0.346    4.93    2       16.3        0.7
  219   1   1   9 32.228  64.456   0.346    4.93    2       16.7        0.7
  220  -3  -3   2 32.529  65.058   0.349    4.83    2       59.0        8.9
  221  -3   3   2 32.556  65.113   0.349    4.82    2       60.8        9.5
  222   0  -6   2 32.561  65.122   0.349    4.82    2       67.2       11.6
  223   3   3   2 32.568  65.135   0.349    4.82    2       75.1       14.5
  224   3  -3   2 32.572  65.143   0.349    4.82    2       75.6       14.6
  225   0   6   2 32.584  65.168   0.35     4.81    2       68.7       12.1
  226  -1  -3   8 32.694  65.387   0.351    4.78    2      104.8       27.9
  227  -2   0   8 32.696  65.392   0.351    4.78    2      116.8       34.7
  228   1  -3   8 32.735  65.469   0.351    4.77    2      118.7       35.7
  229  -1   3   8 32.745  65.491   0.351    4.76    2      114.8       33.4
  230  -3  -1   5 32.768  65.535   0.351    4.76    2       19.1        0.9
  231   2   0   8 32.768  65.535   0.351    4.76    2      113.8       32.8
  232  -2  -4   5 32.769  65.538   0.351    4.76    2       18.8        0.9
  233   1   3   8 32.776  65.552   0.351    4.75    2      105.7       28.3
  234  -3   1   5 32.783  65.565   0.351    4.75    2        9.5        0.2
  235  -1  -5   5 32.783  65.567   0.351    4.75    2       19.2        0.9
  236   1  -5   5 32.815  65.629   0.352    4.74    2       19.4        0.9
  237  -2   4   5 32.822  65.643   0.352    4.74    2       18.8        0.9
  238   2  -4   5 32.828  65.655   0.352    4.74    2       25.3        1.6
  239   3  -1   5 32.84   65.68    0.352    4.73    2       17.8        0.8
  240  -1   5   5 32.841  65.681   0.352    4.73    2       13.4        0.5
  241   3   1   5 32.844  65.689   0.352    4.73    2       26.4        1.8
  242   2   4   5 32.853  65.705   0.352    4.73    2       19.1        0.9
  243   1   5   5 32.854  65.708   0.352    4.73    2       18.6        0.9
  244  -3  -3   3 33.499  66.999   0.358    4.54    2        8.3        0.2
  245  -3   3   3 33.532  67.064   0.359    4.53    2        3.7        0.0
  246   0  -6   3 33.535  67.069   0.359    4.53    2       13.9        0.5
  247   3  -3   3 33.555  67.109   0.359    4.52    2        3.9        0.0
  248   3   3   3 33.556  67.113   0.359    4.52    2        7.5        0.1
  249   0   6   3 33.569  67.138   0.359    4.52    2       12.5        0.4
  250   0   0  10 33.991  67.983   0.363    4.4     2       78.7       14.5
  251  -2  -2   8 34.592  69.183   0.369    4.24    2       28.1        1.8
  252   0  -4   8 34.622  69.244   0.369    4.24    2       17.9        0.7
  253  -2   2   8 34.629  69.257   0.369    4.24    2       30.7        2.1
  254   2  -2   8 34.668  69.336   0.369    4.23    2       31.8        2.3
  255   0   4   8 34.682  69.365   0.369    4.22    2       24.5        1.4
  256   2   2   8 34.692  69.383   0.369    4.22    2       30.7        2.1
  257  -3  -3   4 34.839  69.678   0.371    4.18    2       88.7       17.5
  258  -3   3   4 34.877  69.753   0.371    4.17    2       88.4       17.4
  259   0  -6   4 34.877  69.754   0.371    4.17    2       84.9       16.0
  260  -3  -1   6 34.89   69.781   0.371    4.17    2       22.1        1.1
  261  -2  -4   6 34.891  69.782   0.371    4.17    2       30.1        2.0
  262   3  -3   4 34.906  69.812   0.371    4.17    2       83.9       15.6
  263  -1  -5   6 34.906  69.812   0.371    4.17    2       21.6        1.0
  264  -3   1   6 34.907  69.813   0.371    4.17    2       30.4        2.1
  265   3   3   4 34.914  69.827   0.372    4.17    2       85.0       16.0
  266   0   6   4 34.922  69.845   0.372    4.16    2       86.0       16.4
  267   1  -5   6 34.941  69.881   0.372    4.16    2       31.5        2.2
  268  -2   4   6 34.95   69.899   0.372    4.16    2       20.7        1.0
  269   2  -4   6 34.957  69.913   0.372    4.16    2       17.9        0.7
  270  -1   5   6 34.971  69.942   0.372    4.15    2       29.2        1.9
  271   3  -1   6 34.974  69.947   0.372    4.15    2       23.9        1.3
  272   3   1   6 34.98   69.959   0.372    4.15    2       24.5        1.3
  273   2   4   6 34.988  69.976   0.372    4.15    2       31.2        2.2
  274   1   5   6 34.989  69.977   0.372    4.15    2       27.7        1.7


  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   0   0   2   6.42   12.84   6.88898      693.9    100.0    100.0     5.6
    2   0   2   0  10.11   20.22   4.38799      110.7     16.0     15.9     5.6
    3  -1   1   1  10.611  21.221  4.18324      344.8     49.7     49.4     5.6
    4   1  -1   2  12.016  24.033  3.6999       127.3     18.3     18.2     5.6
    5   0   0   4  12.922  25.844  3.44449      504.2     72.7     72.0     5.6
    6  -1  -1   3  14.027  28.054  3.17794       61.4      8.8      8.8     5.6
    7   1   1   3  14.064  28.129  3.1697        82.4     11.9     11.7     5.6
    8   1   1   4  16.534  33.067  2.70673       50.9      7.3      7.2     5.6
    9  -1   3   0  17.702  35.404  2.53324       19.7      2.8      2.8     5.7
   10  -1   3   1  18.01   36.02   2.49133      356.0     51.3     50.4     5.7
   11  -1  -3   2  18.88   37.761  2.38038      671.5     96.8     94.9     5.7
   12   1   3   2  18.911  37.822  2.37667      149.8     21.6     21.2     5.7
   13  -1  -1   5  19.246  38.493  2.33679       25.1      3.6      3.5     5.7
   14   1   1   5  19.293  38.587  2.33133       18.1      2.6      2.6     5.7
   15   0   0   6  19.599  39.199  2.29633       78.8     11.3     11.1     5.7
   16  -1  -3   3  20.291  40.582  2.2212        58.4      8.4      8.2     5.7
   17   1   3   3  20.334  40.668  2.21669       53.6      7.7      7.6     5.7
   18   2  -2   1  20.823  41.646  2.16687        8.6      1.2      1.2     5.7
   19  -2   0   4  22.142  44.284  2.04372       64.2      9.2      9.0     5.7
   20   1  -3   4  22.172  44.344  2.04106      136.5     19.7     19.2     5.7
   21   1  -1   6  22.255  44.511  2.03381       24.2      3.5      3.4     5.7
   22   2   2   3  22.909  45.817  1.97882       13.7      2.0      1.9     5.7
   23  -2   0   5  24.359  48.717  1.86758      166.4     24.0     23.3     5.7
   24   2   0   5  24.413  48.826  1.86369      335.0     48.3     46.8     5.7
   25  -2   2   4  24.582  49.163  1.85167        8.2      1.2      1.1     5.7
   26   1   1   7  25.422  50.844  1.79435        7.0      1.0      1.0     5.8
   27   0   0   8  26.568  53.135  1.72224       21.4      3.1      3.0     5.8
   28  -2  -2   5  26.617  53.233  1.71931        7.5      1.1      1.0     5.8
   29  -1  -3   6  26.879  53.758  1.70374       30.0      4.3      4.2     5.8
   30  -1   3   6  26.925  53.849  1.70109       56.9      8.2      7.9     5.8
   31  -1   5   0  27.677  55.354  1.65835       23.4      3.4      3.2     5.8
   32  -2   4   1  27.89   55.781  1.64667       21.0      3.0      2.9     5.8
   33  -2  -4   2  28.502  57.005  1.61418       13.9      2.0      1.9     5.8
   34   1  -5   2  28.533  57.066  1.61259       21.3      3.1      2.9     5.8
   35  -3  -1   3  29.546  59.092  1.56205        7.5      1.1      1.0     5.8
   36  -2   4   3  29.588  59.177  1.56001       12.5      1.8      1.7     5.8
   37  -1  -3   7  29.665  59.33   1.55634       42.7      6.1      5.9     5.8
   38  -1   3   7  29.714  59.427  1.55403       80.8     11.6     11.1     5.8
   39  -2  -4   4  30.98   61.96   1.49644        8.3      1.2      1.1     5.8
   40   2   4   4  31.049  62.098  1.49345       19.3      2.8      2.6     5.8
   41  -3   3   0  31.769  63.539  1.46302      424.3     61.2     58.1     5.9
   42   0   6   2  32.584  65.168  1.43031       71.2     10.3      9.7     5.9
   43  -2   0   8  32.696  65.392  1.42596       62.6      9.0      8.5     5.9
   44   1  -3   8  32.735  65.469  1.42447       69.1     10.0      9.4     5.9
   45   2   0   8  32.768  65.535  1.42319       63.1      9.1      8.6     5.9
   46   0   0  10  33.991  67.983  1.3778        14.5      2.1      2.0     5.9
   47  -3  -3   4  34.839  69.678  1.34836       17.5      2.5      2.4     5.9
   48  -3   3   4  34.877  69.753  1.34709       53.1      7.7      7.2     5.9
   49   0   6   4  34.922  69.845  1.34555       38.3      5.5      5.2     5.9
   50   2   4   6  34.988  69.976  1.34334        8.3      1.2      1.1     5.9

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)