Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

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          ***      W W W - X R A Y P O L       ***
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INDIALITE

7, (K-substituted), f-cordierite, s-cordierite, DF

K(0.085)Mg(2)Al(4.17)Si(4.83)O(18)


Hexagonal  P 6/mcc  Z = 2

R =0.051          NR =295

27 .12 .1989

Ref.Str.:

         Y.H.Kim, D.Mercurio, I.P.Mercurio, B.Frit (1984)

         * Mater. Res. Bull., 19,209-217

                   Initial data from BDM-file 

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

             a =   9.764    alpha =   90.0 
             b =   9.764    beta  =   90.0 
             c =   9.36     gamma =  120.0 

    Unit cell volume (cub. angs.) =   772.79

    Molar volume ( cub.cm/mol.) =   232.74

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

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

   1 0.3333  0.6667  0.25     0.0    Mg    = 1.00
   2 0.5     0.5     0.25     0.0    Al    = 0.46, Si    = 0.54
   3 0.3731  0.2661  0.0      0.0    Al    = 0.46, Si    = 0.54
   4 0.4846  0.349   0.1442   0.0    O     = 1.00
   5 0.2309  0.3084  0.0      0.0    O     = 1.00
   6 0.0     0.0     0.1469   0.0    K     = 0.04, K     = 0.0 


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.3333     0.6667     0.25  
     2       2     0.5        0.5        0.25  
     3       3     0.3731     0.2661     0.0   
     4       4     0.4846     0.349      0.1442
     5       5     0.2309     0.3084     0.0   
     6       6     0.0        0.0        0.1469
     7       2     0.5        0.0        0.25  
     8       2     0.0        0.5        0.25  
     9       3     0.7339     0.107      0.0   
    10       3     0.893      0.6269     0.0   
    11       4     0.651      0.1356     0.1442
    12       4     0.8644     0.5154     0.1442
    13       5     0.6916     0.9225     0.0   
    14       5     0.0775     0.7691     0.0   
    15       1     0.6667     0.3333     0.25  
    16       3     0.6269     0.7339     0.0   
    17       4     0.5154     0.651      0.1442
    18       5     0.7691     0.6916     0.0   
    19       3     0.2661     0.893      0.0   
    20       3     0.107      0.3731     0.0   
    21       4     0.349      0.8644     0.1442
    22       4     0.1356     0.4846     0.1442
    23       5     0.3084     0.0775     0.0   
    24       5     0.9225     0.2309     0.0   
    25       1     0.3333     0.6667     0.75  
    26       2     0.5        0.0        0.75  
    27       3     0.3731     0.107      0.5   
    28       4     0.4846     0.1356     0.6442
    29       5     0.2309     0.9225     0.5   
    30       6     0.0        0.0        0.6469
    31       2     0.5        0.5        0.75  
    32       2     0.0        0.5        0.75  
    33       3     0.7339     0.6269     0.5   
    34       3     0.893      0.2661     0.5   
    35       4     0.651      0.5154     0.6442
    36       4     0.8644     0.349      0.6442
    37       5     0.6916     0.7691     0.5   
    38       5     0.0775     0.3084     0.5   
    39       1     0.6667     0.3333     0.75  
    40       3     0.6269     0.893      0.5   
    41       4     0.5154     0.8644     0.6442
    42       5     0.7691     0.0775     0.5   
    43       3     0.2661     0.3731     0.5   
    44       3     0.107      0.7339     0.5   
    45       4     0.349      0.4846     0.6442
    46       4     0.1356     0.651      0.6442
    47       5     0.3084     0.2309     0.5   
    48       5     0.9225     0.6916     0.5   
    49       4     0.4846     0.349      0.8558
    50       6     0.0        0.0        0.8531
    51       4     0.651      0.1356     0.8558
    52       4     0.8644     0.5154     0.8558
    53       4     0.5154     0.651      0.8558
    54       4     0.349      0.8644     0.8558
    55       4     0.1356     0.4846     0.8558
    56       4     0.4846     0.1356     0.3558
    57       6     0.0        0.0        0.3531
    58       4     0.651      0.5154     0.3558
    59       4     0.8644     0.349      0.3558
    60       4     0.5154     0.8644     0.3558
    61       4     0.349      0.4846     0.3558
    62       4     0.1356     0.651      0.3558


X-ray density (g/cm cub.)   =      2.53

MU (1/cm) =      83.149    Mass attenuation coefficient (cm**2/g) =     32.91 

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

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

    1    Mg                  2.52         6
                                                 2.1063       4
                                                 2.1063       4
                                                 2.1063       4
                                                 2.1062       4
                                                 2.1064       4
                                                 2.1062       4
    2   Al   ,Si             2.316        4
                                                 1.7191       4
                                                 1.7191       4
                                                 1.7191       4
                                                 1.7191       4
    3   Al   ,Si             2.316        4
                                                 1.6676       4
                                                 1.6346       5
                                                 1.6207       5
                                                 1.6676       4
    4    O                   3.264        9
                                                 2.6708       5
                                                 3.2198       4
                                                 3.2198       4
                                                 2.8105       4
                                                 2.6922       5
                                                 2.6994       4
                                                 2.8748       4
                                                 2.5618       4
                                                 3.0301       4
    5    O                   3.264        6
                                                 2.6708       4
                                                 2.6923       4
                                                 2.7131       5
                                                 2.7133       5
                                                 2.6708       4
                                                 2.6923       4
    6   K    ,K              3.228        6
                                                 3.0417       5
                                                 3.0417       5
                                                 3.0418       5
                                                 3.0417       5
                                                 3.0417       5
                                                 3.0418       5

  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   0  5.227  10.453   0.059  238.04    6       83.9     1685.5
    2   1   1   0  9.078  18.156   0.102   77.41    6       63.9      317.2
    3   0   0   2  9.473  18.947   0.107   70.9     2       72.9      126.2
    4   2   0   0 10.497  20.994   0.118   57.35    6       12.6        9.2
    5   1   0   2 10.843  21.686   0.122   53.62   12       71.8      555.1
    6   1   1   2 13.179  26.359   0.148   35.62   12       95.2      648.7
    7   2   1   0 13.946  27.893   0.156   31.59   12       10.8        7.4
    8   2   0   2 14.213  28.426   0.159   30.35   12      112.9      776.6
    9   2   1   1 14.754  29.509   0.165   28.02   24       94.3     1000.5
   10   3   0   0 15.86   31.719   0.177   23.99    6       18.7        8.4
   11   2   1   2 16.969  33.938   0.189   20.72   24       59.4      294.0
   12   2   2   0 18.395  36.789   0.205   17.37    6       65.1       73.9
   13   3   0   2 18.604  37.207   0.207   16.94   12       29.4       29.5
   14   3   1   0 19.174  38.349   0.213   15.85   12       11.1        3.9
   15   0   0   4 19.219  38.438   0.214   15.77    2      152.6      123.0
   16   3   1   1 19.791  39.583   0.22    14.78   24       25.4       38.3
   17   1   0   4 19.971  39.943   0.222   14.48   12        9.8        2.8
   18   2   1   3 20.183  40.366   0.224   14.15   24       26.2       39.0
   19   2   2   2 20.849  41.698   0.231   13.16   12       49.0       63.5
   20   4   0   0 21.369  42.738   0.237   12.45    6       16.8        3.5
   21   1   1   4 21.41   42.82    0.237   12.4    12       49.6       61.2
   22   3   1   2 21.554  43.108   0.238   12.21   24       49.8      121.5
   23   2   0   4 22.101  44.201   0.244   11.54   12       33.9       26.6
   24   3   2   0 23.395  46.79    0.258   10.15   12       55.9       63.8
   25   4   0   2 23.567  47.134   0.26     9.98   12       52.3       54.9
   26   3   2   1 23.923  47.846   0.263    9.65   24       22.3       19.3
   27   2   1   4 24.078  48.156   0.265    9.51   24       24.1       22.3
   28   3   1   3 24.261  48.521   0.267    9.35   24       62.0      144.4
   29   4   1   0 24.673  49.347   0.271    9.0    12       62.5       70.6
   30   4   1   1 25.181  50.362   0.276    8.59   24       45.2       70.5
   31   3   0   4 25.33   50.66    0.278    8.47   12       71.2       86.2
   32   3   2   2 25.457  50.914   0.279    8.38   24        4.7        0.7
   33   4   1   2 26.662  53.323   0.291    7.54   24       27.9       23.6
   34   5   0   0 27.095  54.19    0.296    7.27    6      121.7      108.2
   35   2   2   4 27.129  54.259   0.296    7.25   12      142.5      295.9
   36   3   1   4 27.711  55.422   0.302    6.91   24       32.0       28.4
   37   3   2   3 27.876  55.753   0.304    6.81   24       34.3       32.2
   38   3   3   0 28.251  56.502   0.307    6.61    6       70.0       32.5
   39   2   1   5 28.481  56.961   0.31     6.49   24       26.8       18.8
   40   4   2   0 28.818  57.635   0.313    6.32   12       67.3       57.5
   41   5   0   2 28.966  57.933   0.314    6.25   12        3.4        0.1
   42   4   1   3 29.012  58.023   0.315    6.22   24       73.8      136.3
   43   4   2   1 29.275  58.55    0.317    6.1    24        6.4        1.0
   44   4   0   4 29.41   58.819   0.319    6.04   12       33.2       13.4
   45   0   0   6 29.589  59.177   0.321    5.95    2      128.6       33.0
   46   3   3   2 30.075  60.151   0.325    5.74   12       57.9       38.7
   47   1   0   6 30.139  60.278   0.326    5.71   12       22.7        5.9
   48   5   1   0 30.477  60.954   0.329    5.57   12       17.1        3.3
   49   4   2   2 30.621  61.241   0.331    5.52   24       12.2        3.3
   50   5   1   1 30.919  61.838   0.334    5.4    24       14.5        4.5
   51   3   2   4 31.049  62.099   0.335    5.35   24       71.3      109.2
   52   1   1   6 31.223  62.445   0.336    5.28   12       63.1       42.3
   53   2   0   6 31.756  63.513   0.342    5.09   12       62.6       40.1
   54   3   1   5 31.768  63.537   0.342    5.09   24       24.7       12.4
   55   4   1   4 32.115  64.23    0.345    4.97   24       24.6       12.1
   56   5   1   2 32.224  64.448   0.346    4.93   24       66.0       86.3
   57   4   2   3 32.791  65.581   0.352    4.75   24       18.8        6.8
   58   6   0   0 33.132  66.263   0.355    4.65    6       74.8       26.1
   59   2   1   6 33.329  66.659   0.357    4.59   24       59.5       65.2
   60   4   3   0 33.649  67.298   0.36     4.5    12       20.6        3.8
   61   4   3   1 34.068  68.137   0.364    4.38   24        0.6        0.0
   62   5   0   4 34.192  68.385   0.365    4.35   12       37.8       12.5
   63   5   1   3 34.339  68.678   0.366    4.31   24       10.1        1.8
   64   3   0   6 34.357  68.714   0.366    4.3    12        1.3        0.0
   65   5   2   0 34.672  69.345   0.369    4.22   12       70.4       42.1
   66   6   0   2 34.807  69.613   0.371    4.19   12      142.5      171.0
   67   3   2   5 34.877  69.754   0.371    4.17   24       23.6        9.3
   68   5   2   1 35.086  70.172   0.373    4.12   24       71.0       83.7
   69   3   3   4 35.208  70.416   0.374    4.1    12       13.3        1.5
   70   4   3   2 35.312  70.624   0.375    4.07   24        1.1        0.0
   71   4   2   4 35.711  71.423   0.379    3.98   24       79.9      102.0
   72   2   2   6 35.873  71.746   0.38     3.95   12       72.9       42.1
   73   4   1   5 35.884  71.769   0.38     3.94   24       52.2       43.3
   74   5   2   2 36.314  72.629   0.384    3.85   24       50.3       39.2
   75   3   1   6 36.372  72.745   0.385    3.84   24       51.4       40.8
   76   6   1   0 36.68   73.36    0.388    3.78   12       40.3       12.3
   77   6   1   1 37.084  74.168   0.391    3.7    24        1.3        0.0
   78   5   1   4 37.204  74.407   0.392    3.68   24       16.7        4.1
   79   4   3   3 37.345  74.69    0.394    3.66   24       75.8       84.5
   80   4   0   6 37.855  75.709   0.398    3.57   12       63.9       29.3
   81   6   1   2 38.287  76.574   0.402    3.5    24       16.8        3.9
   82   5   2   3 38.327  76.653   0.403    3.49   24       43.2       26.2
   83   2   1   7 38.642  77.284   0.405    3.44   24       74.8       77.4
   84   4   4   0 39.133  78.265   0.41     3.37    6       13.9        0.7
   85   3   2   6 39.318  78.635   0.411    3.34   24        4.7        0.3
   86   4   2   5 39.328  78.657   0.411    3.34   24        7.8        0.8
   87   5   3   0 39.617  79.235   0.414    3.3    12       36.2        8.7
   88   7   0   0 39.617  79.235   0.414    3.3     6       60.2       12.0
   89   6   0   4 39.646  79.291   0.414    3.3    12       29.3        5.7
   90   5   3   1 40.012  80.024   0.417    3.25   24        1.7        0.0
   91   4   3   4 40.129  80.258   0.418    3.24   24       67.6       59.6
   92   6   1   3 40.267  80.534   0.42     3.22   24       26.1        8.8
   93   4   1   6 40.284  80.569   0.42     3.22   24        9.9        1.3
   94   4   4   2 40.71   81.419   0.423    3.17   12       95.3       57.9
   95   5   1   5 40.777  81.553   0.424    3.16   24        2.4        0.1
   96   6   2   0 41.063  82.126   0.426    3.13   12       44.8       12.6
   97   5   2   4 41.091  82.182   0.427    3.13   24       69.4       60.6
   98   0   0   8 41.175  82.35    0.427    3.12    2      223.1       52.0
   99   5   3   2 41.19   82.38    0.427    3.12   24       24.7        7.6
  100   7   0   2 41.19   82.38    0.427    3.12   12       13.1        1.1
  101   6   2   1 41.454  82.909   0.43     3.09   24       11.0        1.5
  102   3   1   7 41.538  83.076   0.43     3.08   24       13.5        2.3
  103   1   0   8 41.654  83.308   0.431    3.07   12       30.1        5.6
  104   5   0   6 42.203  84.406   0.436    3.02   12       28.0        4.8
  105   1   1   8 42.61   85.22    0.439    2.99   12       32.0        6.1
  106   6   2   2 42.625  85.25    0.44     2.98   24       43.8       23.0
  107   6   1   4 43.003  86.007   0.443    2.95   24       34.5       14.1
  108   2   0   8 43.087  86.173   0.443    2.95   12        2.6        0.0
  109   5   3   3 43.14   86.28    0.444    2.94   24       17.6        3.7
  110   3   3   6 43.157  86.314   0.444    2.94   12       64.2       24.4
  111   7   1   0 43.452  86.904   0.446    2.92   12       10.7        0.7
  112   4   2   6 43.633  87.267   0.448    2.91   24        3.5        0.1
  113   4   3   5 43.644  87.288   0.448    2.91   24       35.6       14.8
  114   7   1   1 43.84   87.681   0.45     2.89   24       41.3       19.8
  115   3   2   7 44.399  88.798   0.454    2.86   24       12.8        1.9
  116   2   1   8 44.514  89.029   0.455    2.85   24        0.1        0.0
  117   6   2   3 44.568  89.135   0.456    2.85   24       25.8        7.6
  118   5   2   5 44.595  89.191   0.456    2.85   24       50.0       28.6


  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   0   5.227  10.453  8.45587     1685.5    100.0    100.0     5.6
    2   1   1   0   9.078  18.156  4.882        317.2     18.8     18.7     5.6
    3   0   0   2   9.473  18.947  4.68         126.2      7.5      7.4     5.6
    4   1   0   2  10.843  21.686  4.09469      555.1     32.9     32.7     5.6
    5   1   1   2  13.179  26.359  3.37842      648.7     38.5     38.1     5.6
    6   2   0   2  14.213  28.426  3.13728      776.6     46.1     45.5     5.6
    7   2   1   1  14.754  29.509  3.02456     1000.5     59.4     58.6     5.6
    8   2   1   2  16.969  33.938  2.6393       294.0     17.4     17.2     5.7
    9   2   2   0  18.395  36.789  2.441         73.9      4.4      4.3     5.7
   10   3   0   2  18.604  37.207  2.41453       29.5      1.7      1.7     5.7
   11   0   0   4  19.219  38.438  2.34         123.0      7.3      7.1     5.7
   12   3   1   1  19.791  39.583  2.27491       38.3      2.3      2.2     5.7
   13   2   1   3  20.183  40.366  2.23256       39.0      2.3      2.3     5.7
   14   2   2   2  20.849  41.698  2.16429       63.5      3.8      3.7     5.7
   15   1   1   4  21.41   42.82   2.11013       61.2      3.6      3.5     5.7
   16   3   1   2  21.554  43.108  2.0967       121.5      7.2      7.0     5.7
   17   2   0   4  22.101  44.201  2.04735       26.6      1.6      1.5     5.7
   18   3   2   0  23.395  46.79   1.93991       63.8      3.8      3.7     5.7
   19   4   0   2  23.567  47.134  1.92654       54.9      3.3      3.2     5.7
   20   3   2   1  23.923  47.846  1.89954       19.3      1.1      1.1     5.7
   21   2   1   4  24.078  48.156  1.88804       22.3      1.3      1.3     5.7
   22   3   1   3  24.261  48.521  1.87468      144.4      8.6      8.3     5.7
   23   4   1   0  24.673  49.347  1.84522       70.6      4.2      4.1     5.7
   24   4   1   1  25.181  50.362  1.81038       70.5      4.2      4.0     5.8
   25   3   0   4  25.33   50.66   1.80042       86.2      5.1      4.9     5.8
   26   4   1   2  26.662  53.323  1.71661       23.6      1.4      1.3     5.8
   27   5   0   0  27.095  54.19   1.69117      108.2      6.4      6.2     5.8
   28   2   2   4  27.129  54.259  1.68921      295.9     17.6     16.9     5.8
   29   3   1   4  27.711  55.422  1.65648       28.4      1.7      1.6     5.8
   30   3   2   3  27.876  55.753  1.64743       32.2      1.9      1.8     5.8
   31   3   3   0  28.251  56.502  1.62733       32.5      1.9      1.8     5.8
   32   2   1   5  28.481  56.961  1.61531       18.8      1.1      1.1     5.8
   33   4   2   0  28.818  57.635  1.59801       57.5      3.4      3.3     5.8
   34   4   1   3  29.012  58.023  1.58825      136.3      8.1      7.7     5.8
   35   0   0   6  29.589  59.177  1.56          33.0      2.0      1.9     5.8
   36   3   3   2  30.075  60.151  1.53706       38.7      2.3      2.2     5.8
   37   3   2   4  31.049  62.099  1.49344      109.2      6.5      6.2     5.8
   38   1   1   6  31.223  62.445  1.48598       42.3      2.5      2.4     5.8
   39   2   0   6  31.756  63.513  1.46355       52.5      3.1      3.0     5.9
   40   5   1   2  32.224  64.448  1.44456       86.3      5.1      4.9     5.9
   41   6   0   0  33.132  66.263  1.40931       26.1      1.5      1.5     5.9
   42   2   1   6  33.329  66.659  1.40191       65.2      3.9      3.7     5.9
   43   5   2   0  34.672  69.345  1.35402       42.1      2.5      2.3     5.9
   44   6   0   2  34.807  69.613  1.34945      171.0     10.1      9.5     5.9
   45   5   2   1  35.086  70.172  1.34007       83.7      5.0      4.7     5.9
   46   4   2   4  35.711  71.423  1.31965      102.0      6.1      5.7     5.9
   47   4   1   5  35.884  71.769  1.31413       85.4      5.1      4.7     5.9
   48   5   2   2  36.314  72.629  1.30068       39.2      2.3      2.2     6.0
   49   3   1   6  36.372  72.745  1.29889       40.8      2.4      2.3     6.0
   50   4   3   3  37.345  74.69   1.2698        84.5      5.0      4.7     6.0
   51   4   0   6  37.855  75.709  1.25522       29.3      1.7      1.6     6.0
   52   5   2   3  38.327  76.653  1.2421        26.2      1.6      1.4     6.0
   53   2   1   7  38.642  77.284  1.23354       77.4      4.6      4.2     6.0
   54   7   0   0  39.617  79.235  1.20798       26.5      1.6      1.4     6.0
   55   4   3   4  40.129  80.258  1.19514       59.6      3.5      3.2     6.0
   56   4   4   2  40.71   81.419  1.181         57.9      3.4      3.1     6.1
   57   5   2   4  41.091  82.182  1.17196       73.2      4.3      4.0     6.1
   58   0   0   8  41.175  82.35   1.17          60.7      3.6      3.3     6.1
   59   6   2   2  42.625  85.25   1.13746       29.1      1.7      1.6     6.1
   60   3   3   6  43.157  86.314  1.12614       28.0      1.7      1.5     6.1
   61   7   1   1  43.84   87.681  1.11207       19.8      1.2      1.1     6.2
   62   5   2   5  44.595  89.191  1.09712       36.2      2.1      1.9     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)