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       ***
                  ***********************
BAYLISSITE

1, f-lansfordite

K(2)Mg(2)[CO(3)](2).4H(2)O


Monoclinic  P 2(1)/n  Z = 2

P2(1)/n

27 .4 .1988

Ref.Str.:

         Bucat R.B., Patrick J.M., White A.H., Willy A.C. (1977)

         * Aust. J. Chem., 30, 1379-1382

                   Initial data from BDM-file 

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

             a =  11.404    alpha =   90.0 
             b =   6.228    beta  =   99.66
             c =   6.826    gamma =   90.0 

    Unit cell volume (cub. angs.) =   477.94

    Molar volume ( cub.cm/mol.) =   143.94

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

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

   1 0.1843  0.1441  0.4149   0.0    K     = 1.00
   2 0.5     0.0     0.5      0.0    Mg    = 1.00
   3 0.1761  0.1494  0.921    0.0    C     = 1.00
   4 0.1464  0.3032  0.0272   0.0    O     = 1.00
   5 0.278   0.0585  0.9674   0.0    O     = 1.00
   6 0.1032  0.0846  0.7657   0.0    O     = 1.00
   7 0.4428  0.1658  0.7359   0.0    O     = 1.00
   8 0.4068  0.2156  0.2956   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.1843     0.1441     0.4149
     2       2     0.5        0.0        0.5   
     3       3     0.1761     0.1494     0.921 
     4       4     0.1464     0.3032     0.0272
     5       5     0.278      0.0585     0.9674
     6       6     0.1032     0.0846     0.7657
     7       7     0.4428     0.1658     0.7359
     8       8     0.4068     0.2156     0.2956
     9       1     0.8157     0.8559     0.5851
    10       3     0.8239     0.8506     0.079 
    11       4     0.8536     0.6968     0.9728
    12       5     0.722      0.9415     0.0326
    13       6     0.8968     0.9154     0.2343
    14       7     0.5572     0.8342     0.2641
    15       8     0.5932     0.7844     0.7044
    16       1     0.6843     0.3559     0.9149
    17       2     0.0        0.5        0.0   
    18       3     0.6761     0.3506     0.421 
    19       4     0.6464     0.1968     0.5272
    20       5     0.778      0.4415     0.4674
    21       6     0.6032     0.4154     0.2657
    22       7     0.9428     0.3342     0.2359
    23       8     0.9068     0.2844     0.7956
    24       1     0.3157     0.6441     0.0851
    25       3     0.3239     0.6494     0.579 
    26       4     0.3536     0.8032     0.4728
    27       5     0.222      0.5585     0.5326
    28       6     0.3968     0.5846     0.7343
    29       7     0.0572     0.6658     0.7641
    30       8     0.0932     0.7156     0.2044


X-ray density (g/cm cub.)   =      1.99

MU (1/cm) =      97.742    Mass attenuation coefficient (cm**2/g) =     49.11 

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

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

    1    K                   3.228        7
                                                 2.7908       4
                                                 2.7331       6
                                                 2.8272       8
                                                 3.0578       7
                                                 2.8523       4
                                                 2.7158       5
                                                 3.1249       8
    2    Mg                  2.52         6
                                                 2.1065       7
                                                 2.0932       8
                                                 2.1065       7
                                                 2.0932       8
                                                 2.0543       4
                                                 2.0543       4
    3    C                   1.872        3
                                                 1.2807       4
                                                 1.2836       5
                                                 1.2969       6
    4    O                   3.264        7
                                                 2.2242       5
                                                 2.2332       6
                                                 3.263        8
                                                 2.9271       7
                                                 2.9205       8
                                                 2.9575       7
                                                 2.9452       8
    5    O                   3.264        4
                                                 2.2242       4
                                                 2.2304       6
                                                 2.7336       7
                                                 2.6513       8
    6    O                   3.264        4
                                                 2.2332       4
                                                 2.2304       5
                                                 2.6          8
                                                 2.6602       7
    7    O                   3.264        6
                                                 2.7336       5
                                                 2.9805       8
                                                 2.9587       8
                                                 2.9271       4
                                                 2.9575       4
                                                 2.6602       6
    8    O                   3.264        7
                                                 3.263        4
                                                 2.6513       5
                                                 2.9805       7
                                                 2.9587       7
                                                 2.9205       4
                                                 2.6          6
                                                 2.9452       4

  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  7.074  14.148   0.08   128.92    2       40.3      183.1
    2   2   0   0  7.876  15.752   0.089  103.56    2       32.0       93.1
    3   1   1   0  8.128  16.257   0.092   97.1     4        8.6       12.5
    4   1   0   1  8.218  16.435   0.093   94.95    2       21.1       37.2
    5   0   1   1  9.702  19.404   0.109   67.5     4       30.0      106.6
    6   1   1  -1 10.052  20.103   0.113   62.74    4        2.1        0.5
    7   2   1   0 10.637  21.275   0.12    55.79    4       45.3      200.3
    8   1   1   1 10.895  21.79    0.123   53.08    4        2.8        0.7
    9   2   1  -1 11.814  23.627   0.133   44.83    4       31.8       79.6
   10   3   0  -1 12.583  25.165   0.141   39.28    2       17.8       10.9
   11   0   0   2 13.234  26.469   0.149   35.31    2       34.3       36.3
   12   2   1   1 13.238  26.477   0.149   35.28    4       16.3       16.3
   13   3   1   0 13.88   27.76    0.156   31.92    4       58.4      190.7
   14   2   0  -2 14.258  28.517   0.16    30.14    2      102.7      278.4
   15   0   2   0 14.321  28.643   0.161   29.86    2       24.9       16.2
   16   3   1  -1 14.508  29.015   0.163   29.05    4        7.4        2.8
   17   3   0   1 14.566  29.132   0.163   28.8     2       66.9      112.7
   18   1   2   0 14.873  29.746   0.167   27.54    4       98.5      468.3
   19   1   1  -2 15.017  30.035   0.168   26.98    4       70.8      236.5
   20   0   1   2 15.082  30.165   0.169   26.73    4       60.0      168.6
   21   0   2   1 15.817  31.634   0.177   24.13    4       16.0       10.8
   22   4   0   0 15.906  31.813   0.178   23.84    2       27.4       15.6
   23   2   1  -2 15.998  31.996   0.179   23.55    4       27.8       31.8
   24   1   2  -1 16.041  32.081   0.179   23.41    4       23.4       22.4
   25   1   1   2 16.182  32.364   0.181   22.97    4       31.5       39.9
   26   3   1   1 16.276  32.552   0.182   22.69    4        2.5        0.2
   27   2   2   0 16.426  32.852   0.184   22.24    4        4.8        0.9
   28   1   2   1 16.6    33.2     0.185   21.74    4       26.8       27.3
   29   2   0   2 16.61   33.221   0.186   21.71    2       31.4       18.7
   30   2   2  -1 17.237  34.473   0.192   20.03    4       10.0        3.5
   31   4   1   0 17.498  34.997   0.195   19.38    4       91.6      284.6
   32   4   1  -1 17.754  35.508   0.198   18.78    4       14.4        6.8
   33   3   1  -2 17.87   35.741   0.199   18.51    4        2.9        0.3
   34   2   1   2 18.148  36.296   0.202   17.89    4       86.8      236.2
   35   2   2   1 18.275  36.55    0.204   17.62    4       65.7      133.4
   36   3   2   0 18.761  37.521   0.209   16.63    4        6.2        1.1
   37   4   0  -2 19.044  38.088   0.212   16.09    2       91.3      117.6
   38   3   2  -1 19.245  38.49    0.214   15.72    4       18.7        9.6
   39   1   2  -2 19.645  39.291   0.218   15.02    4       37.7       37.4
   40   0   2   2 19.697  39.394   0.219   14.93    4       24.1       15.2
   41   4   1   1 19.737  39.473   0.219   14.87    4       20.6       11.1
   42   1   0  -3 19.798  39.597   0.22    14.76    2       48.9       30.9
   43   5   0  -1 20.029  40.058   0.222   14.39    2       71.1       63.6
   44   4   1  -2 20.423  40.846   0.227   13.78    4       13.5        4.4
   45   2   2  -2 20.43   40.861   0.227   13.77    4       21.8       11.4
   46   1   2   2 20.58   41.159   0.228   13.55    4       15.7        5.9
   47   3   2   1 20.656  41.312   0.229   13.43    4       47.6       53.2
   48   3   1   2 20.77   41.54    0.23    13.27    4       22.8       12.1
   49   1   1  -3 21.136  42.272   0.234   12.76    4        8.1        1.5
   50   1   0   3 21.178  42.357   0.235   12.7     2       41.3       18.9
   51   5   1  -1 21.355  42.71    0.236   12.47    4       46.9       48.0
   52   5   1   0 21.36   42.72    0.236   12.46    4        7.8        1.3
   53   0   1   3 21.407  42.815   0.237   12.4     4        4.6        0.5
   54   2   1  -3 21.658  43.316   0.24    12.08    4        1.6        0.1
   55   4   2   0 21.665  43.331   0.24    12.07    4       46.8       46.3
   56   3   0  -3 21.681  43.362   0.24    12.05    2       29.6        9.3
   57   4   2  -1 21.88   43.759   0.242   11.81    4       45.8       43.4
   58   3   2  -2 21.977  43.955   0.243   11.69    4      112.8      260.3
   59   1   3   0 22.167  44.335   0.245   11.47    4        3.9        0.3
   60   2   2   2 22.212  44.423   0.245   11.41    4       25.9       13.4
   61   5   0   1 22.27   44.541   0.246   11.35    2       11.7        1.4
   62   1   1   3 22.449  44.897   0.248   11.14    4       48.9       46.6
   63   4   0   2 22.672  45.345   0.25    10.9     2       12.0        1.4
   64   0   3   1 22.849  45.697   0.252   10.71    4       42.8       34.3
   65   3   1  -3 22.929  45.859   0.253   10.62    4       67.4       84.4
   66   1   3  -1 23.013  46.026   0.254   10.54    4        1.8        0.1
   67   2   3   0 23.299  46.599   0.257   10.24    4       34.5       21.3
   68   1   3   1 23.429  46.859   0.258   10.12    4        1.2        0.0
   69   5   1  -2 23.48   46.961   0.259   10.07    4       13.8        3.4
   70   5   1   1 23.494  46.988   0.259   10.05    4       32.7       18.8
   71   4   2   1 23.573  47.145   0.26     9.98    4       55.7       54.2
   72   4   1   2 23.88   47.759   0.263    9.69    4        0.6        0.0
   73   2   3  -1 23.911  47.823   0.263    9.66    4       57.5       55.9
   74   4   2  -2 24.171  48.341   0.266    9.43    4       17.5        5.1
   75   2   1   3 24.181  48.363   0.266    9.42    4       55.8       51.3
   76   6   0   0 24.274  48.548   0.267    9.34    2       28.5        6.6
   77   3   2   2 24.475  48.95    0.269    9.16    4        8.9        1.3
   78   2   3   1 24.715  49.431   0.271    8.96    4       34.1       18.2
   79   1   2  -3 24.798  49.596   0.272    8.89    4        4.1        0.3
   80   4   1  -3 24.861  49.722   0.273    8.84    4       26.5       10.9
   81   5   2  -1 24.991  49.983   0.274    8.74    4       26.3       10.6
   82   5   2   0 24.996  49.991   0.274    8.73    4        4.8        0.4
   83   0   2   3 25.038  50.076   0.275    8.7     4       49.1       36.7
   84   3   3   0 25.098  50.196   0.275    8.65    4       32.3       15.8
   85   6   1  -1 25.224  50.448   0.277    8.55    4       11.4        1.9
   86   2   2  -3 25.26   50.52    0.277    8.53    4       19.1        5.4
   87   3   0   3 25.391  50.782   0.278    8.43    2        9.4        0.6
   88   6   1   0 25.423  50.846   0.279    8.4     4        3.6        0.2
   89   3   3  -1 25.484  50.969   0.279    8.36    4        2.5        0.1
   90   1   3  -2 25.806  51.613   0.283    8.12    4        2.6        0.1
   91   6   0  -2 25.829  51.659   0.283    8.1     2       48.5       16.7
   92   0   3   2 25.848  51.696   0.283    8.09    4       25.1        8.9
   93   1   2   3 25.966  51.932   0.284    8.01    4       28.8       11.7
   94   5   0  -3 26.264  52.527   0.287    7.8     2        6.2        0.3
   95   3   2  -3 26.398  52.796   0.289    7.71    4       49.3       32.8
   96   2   3  -2 26.445  52.891   0.289    7.68    4       53.2       38.1
   97   3   1   3 26.505  53.01    0.29     7.64    4       33.4       15.0
   98   1   3   2 26.568  53.136   0.29     7.6     4       86.0       98.5
   99   3   3   1 26.631  53.262   0.291    7.56    4        9.9        1.3
  100   5   2  -2 26.896  53.792   0.294    7.39    4       25.7        8.5
  101   5   2   1 26.908  53.816   0.294    7.38    4        9.4        1.1
  102   6   1  -2 26.93   53.861   0.294    7.37    4       28.1       10.2
  103   2   0  -4 27.089  54.178   0.296    7.27    2       13.6        1.2
  104   0   0   4 27.25   54.5     0.297    7.17    2       48.9       15.0
  105   4   2   2 27.258  54.517   0.297    7.17    4       52.7       34.9
  106   5   1  -3 27.352  54.705   0.298    7.11    4       17.2        3.7
  107   5   1   2 27.372  54.745   0.298    7.1     4       16.5        3.4
  108   4   3   0 27.47   54.94    0.299    7.04    4       10.1        1.3
  109   6   1   1 27.499  54.997   0.3      7.03    4       69.6       59.5
  110   2   2   3 27.533  55.066   0.3      7.01    4       25.9        8.2
  111   4   3  -1 27.65   55.3     0.301    6.94    4       18.4        4.1
  112   3   3  -2 27.732  55.464   0.302    6.89    4       12.4        1.9
  113   1   1  -4 27.91   55.821   0.304    6.79    4       60.7       43.8
  114   2   3   2 27.93   55.86    0.304    6.78    4        9.1        1.0
  115   4   2  -3 28.154  56.309   0.306    6.66    4        6.6        0.5
  116   2   1  -4 28.156  56.312   0.306    6.66    4       42.7       21.2
  117   7   0  -1 28.296  56.593   0.308    6.59    2       65.0       24.3
  118   0   1   4 28.313  56.625   0.308    6.58    4       18.9        4.1
  119   6   2  -1 28.488  56.975   0.31     6.49    4       48.2       26.4
  120   6   2   0 28.671  57.342   0.311    6.39    4        1.2        0.0
  121   3   1  -4 29.038  58.077   0.315    6.21    4       24.1        6.3
  122   4   3   1 29.093  58.185   0.316    6.19    4       28.3        8.7
  123   4   1   3 29.329  58.657   0.318    6.07    4       24.8        6.6
  124   7   1  -1 29.334  58.668   0.318    6.07    4       15.1        2.4
  125   1   1   4 29.345  58.69    0.318    6.07    4       10.8        1.2
  126   4   0  -4 29.511  59.022   0.32     5.99    2       31.7        5.3
  127   4   3  -2 29.611  59.221   0.321    5.95    4       11.2        1.3
  128   0   4   0 29.651  59.303   0.321    5.93    2       32.7        5.6
  129   3   2   3 29.672  59.343   0.321    5.92    4       14.0        2.0
  130   7   1   0 29.69   59.38    0.322    5.91    4        6.3        0.4
  131   3   3   2 29.876  59.752   0.323    5.83    4        0.1        0.0
  132   1   4   0 29.963  59.926   0.324    5.79    4        0.5        0.0
  133   2   0   4 29.966  59.931   0.324    5.79    2       61.1       18.9


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

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

    1   1   0  -1   7.074  14.148  6.25494      183.1     39.1     39.5     5.6
    2   2   0   0   7.876  15.752  5.62115       93.1     19.9     20.1     5.6
    3   1   1   0   8.128  16.257  5.44789       12.5      2.7      2.7     5.6
    4   1   0   1   8.218  16.435  5.38914       37.2      7.9      8.0     5.6
    5   0   1   1   9.702  19.404  4.57079      106.6     22.8     22.9     5.6
    6   2   1   0  10.637  21.275  4.17285      200.3     42.8     43.0     5.6
    7   2   1  -1  11.814  23.627  3.76246       79.6     17.0     17.1     5.6
    8   3   0  -1  12.583  25.165  3.53589       10.9      2.3      2.3     5.6
    9   0   0   2  13.234  26.469  3.36461       52.7     11.2     11.3     5.6
   10   3   1   0  13.88   27.76   3.21098      190.7     40.7     40.8     5.6
   11   2   0  -2  14.258  28.517  3.12747      278.4     59.5     59.5     5.6
   12   0   2   0  14.321  28.643  3.114         16.2      3.5      3.5     5.6
   13   3   0   1  14.566  29.132  3.06281      112.7     24.1     24.1     5.6
   14   1   2   0  14.873  29.746  3.001        468.3    100.0    100.0     5.6
   15   1   1  -2  15.017  30.035  2.97277      236.5     50.5     50.5     5.6
   16   0   1   2  15.082  30.165  2.96024      168.6     36.0     36.0     5.6
   17   0   2   1  15.817  31.634  2.82607       10.8      2.3      2.3     5.6
   18   4   0   0  15.906  31.813  2.81058       15.6      3.3      3.3     5.6
   19   2   1  -2  15.998  31.996  2.79487       31.8      6.8      6.8     5.6
   20   1   2  -1  16.041  32.081  2.78764       22.4      4.8      4.8     5.6
   21   1   1   2  16.182  32.364  2.76395       39.9      8.5      8.5     5.6
   22   1   2   1  16.6    33.2    2.69624       46.0      9.8      9.8     5.6
   23   4   1   0  17.498  34.997  2.56179      284.6     60.8     60.5     5.7
   24   4   1  -1  17.754  35.508  2.52608        6.8      1.5      1.4     5.7
   25   2   1   2  18.148  36.296  2.47303      236.2     50.4     50.1     5.7
   26   2   2   1  18.275  36.55   2.45641      133.4     28.5     28.3     5.7
   27   4   0  -2  19.044  38.088  2.36071      117.6     25.1     24.9     5.7
   28   3   2  -1  19.245  38.49   2.33693        9.6      2.1      2.0     5.7
   29   1   2  -2  19.645  39.291  2.29115       37.4      8.0      7.9     5.7
   30   0   2   2  19.697  39.394  2.2854        15.2      3.3      3.2     5.7
   31   4   1   1  19.737  39.473  2.28098       11.1      2.4      2.3     5.7
   32   1   0  -3  19.798  39.597  2.27416       30.9      6.6      6.5     5.7
   33   5   0  -1  20.029  40.058  2.24901       63.6     13.6     13.5     5.7
   34   2   2  -2  20.43   40.861  2.20668       15.9      3.4      3.4     5.7
   35   1   2   2  20.58   41.159  2.19136        5.9      1.3      1.2     5.7
   36   3   2   1  20.656  41.312  2.18361       53.2     11.4     11.2     5.7
   37   3   1   2  20.77   41.54   2.17216       12.1      2.6      2.5     5.7
   38   1   0   3  21.178  42.357  2.13214       18.9      4.0      4.0     5.7
   39   5   1  -1  21.355  42.71   2.11532       49.3     10.5     10.4     5.7
   40   4   2   0  21.665  43.331  2.08643       55.5     11.9     11.7     5.7
   41   4   2  -1  21.88   43.759  2.06699       43.4      9.3      9.1     5.7
   42   3   2  -2  21.977  43.955  2.05824      260.3     55.6     54.8     5.7
   43   2   2   2  22.212  44.423  2.03763       13.4      2.9      2.8     5.7
   44   1   1   3  22.449  44.897  2.0172        46.6     10.0      9.8     5.7
   45   0   3   1  22.849  45.697  1.98374       34.3      7.3      7.2     5.7
   46   3   1  -3  22.929  45.859  1.97713       84.4     18.0     17.7     5.7
   47   2   3   0  23.299  46.599  1.94743       21.3      4.6      4.5     5.7
   48   5   1   1  23.494  46.988  1.93222       22.2      4.7      4.7     5.7
   49   4   2   1  23.573  47.145  1.92612       54.2     11.6     11.4     5.7
   50   2   3  -1  23.911  47.823  1.90041       55.9     11.9     11.7     5.7
   51   2   1   3  24.181  48.363  1.88045       56.4     12.0     11.8     5.7
   52   6   0   0  24.274  48.548  1.87372        6.6      1.4      1.4     5.7
   53   2   3   1  24.715  49.431  1.84229       18.2      3.9      3.8     5.7
   54   4   1  -3  24.861  49.722  1.83219       10.9      2.3      2.3     5.7
   55   5   2  -1  24.991  49.983  1.82322       10.9      2.3      2.3     5.7
   56   0   2   3  25.038  50.076  1.82005       36.7      7.8      7.7     5.7
   57   3   3   0  25.098  50.196  1.81596       15.8      3.4      3.3     5.7
   58   2   2  -3  25.26   50.52   1.80507        5.4      1.2      1.1     5.8
   59   6   0  -2  25.829  51.659  1.76795       25.6      5.5      5.3     5.8
   60   1   2   3  25.966  51.932  1.75927       11.7      2.5      2.4     5.8
   61   3   2  -3  26.398  52.796  1.7325        32.8      7.0      6.8     5.8
   62   2   3  -2  26.445  52.891  1.72962       38.1      8.1      7.9     5.8
   63   3   1   3  26.505  53.01   1.72602       15.0      3.2      3.1     5.8
   64   1   3   2  26.568  53.136  1.72222       98.5     21.0     20.5     5.8
   65   5   2  -2  26.896  53.792  1.70276        9.7      2.1      2.0     5.8
   66   6   1  -2  26.93   53.861  1.70075       10.2      2.2      2.1     5.8
   67   4   2   2  27.258  54.517  1.68182       49.9     10.7     10.4     5.8
   68   5   1  -3  27.352  54.705  1.67649        7.1      1.5      1.5     5.8
   69   6   1   1  27.499  54.997  1.66825       60.8     13.0     12.6     5.8
   70   2   2   3  27.533  55.066  1.66634        8.2      1.8      1.7     5.8
   71   1   1  -4  27.91   55.821  1.64558       44.8      9.6      9.3     5.8
   72   2   1  -4  28.156  56.312  1.63239       21.2      4.5      4.4     5.8
   73   7   0  -1  28.296  56.593  1.62495       28.4      6.1      5.9     5.8
   74   6   2  -1  28.488  56.975  1.61495       26.4      5.6      5.5     5.8
   75   3   1  -4  29.038  58.077  1.58691        6.3      1.4      1.3     5.8
   76   4   3   1  29.093  58.185  1.58421        8.7      1.9      1.8     5.8
   77   4   1   3  29.329  58.657  1.57259       10.2      2.2      2.1     5.8
   78   4   0  -4  29.511  59.022  1.56373        5.3      1.1      1.1     5.8
   79   0   4   0  29.651  59.303  1.557          7.6      1.6      1.6     5.8
   80   2   0   4  29.966  59.931  1.54216       18.9      4.0      3.9     5.8

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)