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

1, t-beryl, f-cordierite

Mg(1.40)Fe(0.66)Al(4.11)Si(4.89)O(16)


Hexagonal  P 6/mcc  Z = 2

R =0.061          NR =168

29 .1 .1990

Ref.Str.:

         E.P. Meagher, G.V. Gibbs (1977)

         * Canad. Mineral., 15, 43-49

Reserv:

         See U(jj) in the original

                   Initial data from BDM-file 

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

             a =   9.8      alpha =   90.0 
             b =   9.8      beta  =   90.0 
             c =   9.345    gamma =  120.0 

    Unit cell volume (cub. angs.) =   777.25

    Molar volume ( cub.cm/mol.) =   234.08

  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     1.8    Mg    = 0.97, Fe    = 0.03
   2 0.5     0.5     0.25     0.9    Al    = 0.72, Si    = 0.28
   3 0.3727  0.2668  0.0      1.16   Al    = 0.3 , Si    = 0.7 
   4 0.4851  0.3494  0.1445   1.4    O     = 1.00
   5 0.2305  0.3093  0.0      2.2    O     = 1.00


  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     0.3727     0.2668     0.0   
     4       4     0.4851     0.3494     0.1445
     5       5     0.2305     0.3093     0.0   
     6       2     0.5        0.0        0.25  
     7       2     0.0        0.5        0.25  
     8       3     0.7332     0.1059     0.0   
     9       3     0.8941     0.6273     0.0   
    10       4     0.6506     0.1357     0.1445
    11       4     0.8643     0.5149     0.1445
    12       5     0.6907     0.9212     0.0   
    13       5     0.0788     0.7695     0.0   
    14       1     0.6667     0.3333     0.25  
    15       3     0.6273     0.7332     0.0   
    16       4     0.5149     0.6506     0.1445
    17       5     0.7695     0.6907     0.0   
    18       3     0.2668     0.8941     0.0   
    19       3     0.1059     0.3727     0.0   
    20       4     0.3494     0.8643     0.1445
    21       4     0.1357     0.4851     0.1445
    22       5     0.3093     0.0788     0.0   
    23       5     0.9212     0.2305     0.0   
    24       1     0.3333     0.6667     0.75  
    25       2     0.5        0.0        0.75  
    26       3     0.3727     0.1059     0.5   
    27       4     0.4851     0.1357     0.6445
    28       5     0.2305     0.9212     0.5   
    29       2     0.5        0.5        0.75  
    30       2     0.0        0.5        0.75  
    31       3     0.7332     0.6273     0.5   
    32       3     0.8941     0.2668     0.5   
    33       4     0.6506     0.5149     0.6445
    34       4     0.8643     0.3494     0.6445
    35       5     0.6907     0.7695     0.5   
    36       5     0.0788     0.3093     0.5   
    37       1     0.6667     0.3333     0.75  
    38       3     0.6273     0.8941     0.5   
    39       4     0.5149     0.8643     0.6445
    40       5     0.7695     0.0788     0.5   
    41       3     0.2668     0.3727     0.5   
    42       3     0.1059     0.7332     0.5   
    43       4     0.3494     0.4851     0.6445
    44       4     0.1357     0.6506     0.6445
    45       5     0.3093     0.2305     0.5   
    46       5     0.9212     0.6907     0.5   
    47       4     0.4851     0.3494     0.8555
    48       4     0.6506     0.1357     0.8555
    49       4     0.8643     0.5149     0.8555
    50       4     0.5149     0.6506     0.8555
    51       4     0.3494     0.8643     0.8555
    52       4     0.1357     0.4851     0.8555
    53       4     0.4851     0.1357     0.3555
    54       4     0.6506     0.5149     0.3555
    55       4     0.8643     0.3494     0.3555
    56       4     0.5149     0.8643     0.3555
    57       4     0.3494     0.4851     0.3555
    58       4     0.1357     0.6506     0.3555


X-ray density (g/cm cub.)   =      2.51

MU (1/cm) =     125.186    Mass attenuation coefficient (cm**2/g) =     49.938

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

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

    1   Mg   ,Fe             2.592        6
                                                 2.1079       4
                                                 2.1079       4
                                                 2.1079       4
                                                 2.1079       4
                                                 2.108        4
                                                 2.1079       4
    2   Al   ,Si             2.316        4
                                                 1.7193       4
                                                 1.7193       4
                                                 1.7193       4
                                                 1.7193       4
    3   Al   ,Si             2.316        4
                                                 1.6734       4
                                                 1.6419       5
                                                 1.6234       5
                                                 1.6734       4
    4    O                   3.264        9
                                                 2.6875       5
                                                 3.227        4
                                                 3.227        4
                                                 2.8171       4
                                                 2.6935       5
                                                 2.7007       4
                                                 2.8764       4
                                                 2.5532       4
                                                 3.032        4
    5    O                   3.264        6
                                                 2.6875       4
                                                 2.6936       4
                                                 2.7282       5
                                                 2.7284       5
                                                 2.6875       4
                                                 2.6936       4

  X-ray diffraction powder data (II),  X-Ray W.L. =   1.78892(angs.):

  No   H   K   L   Theta 2*Theta    S       LPG   MF        F          I int.
                    ( degree )                                         *100

    1   1   0   0  6.05   12.099   0.059  177.09    6       86.3     1309.9
    2   1   1   0 10.518  21.036   0.102   57.11    6       63.6      229.3
    3   0   0   2 11.036  22.073   0.107   51.68    2       71.7       88.1
    4   2   0   0 12.168  24.336   0.118   42.14    6        8.2        2.8
    5   1   0   2 12.622  25.245   0.122   39.02   12       70.3      383.2
    6   1   1   2 15.338  30.676   0.148   25.78   12       92.0      433.7
    7   2   1   0 16.191  32.382   0.156   22.94   12        7.6        2.7
    8   2   0   2 16.543  33.086   0.159   21.9    12      105.3      482.2
    9   2   1   1 17.146  34.292   0.165   20.26   24       90.3      656.2
   10   3   0   0 18.432  36.863   0.177   17.29    6       16.5        4.6
   11   2   1   2 19.769  39.538   0.189   14.81   24       56.8      189.9
   12   2   2   0 21.413  42.826   0.204   12.39    6       57.9       41.3
   13   3   0   2 21.692  43.383   0.207   12.04   12       28.2       19.1
   14   3   1   0 22.333  44.667   0.212   11.27   12        8.1        1.5
   15   0   0   4 22.511  45.022   0.214   11.07    2      142.1       74.0
   16   3   1   1 23.07   46.141   0.219   10.48   24       21.8       19.9
   17   1   0   4 23.397  46.794   0.222   10.15   12       10.2        2.1
   18   2   1   3 23.594  47.188   0.224    9.96   24       23.4       21.7
   19   2   2   2 24.345  48.69    0.23     9.27   12       45.0       37.3
   20   4   0   0 24.933  49.867   0.236    8.78    6       19.1        3.2
   21   1   1   4 25.097  50.194   0.237    8.65   12       43.1       31.9
   22   3   1   2 25.182  50.363   0.238    8.59   24       45.3       70.0
   23   2   0   4 25.916  51.832   0.244    8.04   12       28.1       12.6
   24   3   2   0 27.348  54.695   0.257    7.12   12       52.1       38.3
   25   4   0   2 27.58   55.161   0.259    6.98   12       48.2       32.3
   26   3   2   1 27.986  55.972   0.262    6.75   24       19.7       10.4
   27   2   1   4 28.271  56.542   0.265    6.6    24       19.6       10.1
   28   3   1   3 28.443  56.886   0.266    6.51   24       58.2       87.5
   29   4   1   0 28.879  57.758   0.27     6.29   12       53.3       35.5
   30   4   1   1 29.496  58.991   0.275    6.0    24       38.5       35.4
   31   3   0   4 29.771  59.542   0.278    5.87   12       64.8       49.0
   32   3   2   2 29.847  59.693   0.278    5.84   24        3.1        0.2
   33   4   1   2 31.3    62.6     0.29     5.25   24       24.0       12.0
   34   5   0   0 31.8    63.6     0.295    5.07    6      108.6       59.5
   35   2   2   4 31.94   63.88    0.296    5.03   12      125.6      157.5
   36   3   1   4 32.644  65.289   0.302    4.79   24       27.6       14.5
   37   3   2   3 32.803  65.606   0.303    4.75   24       29.7       16.7
   38   3   3   0 33.204  66.409   0.306    4.62    6       61.8       17.5
   39   2   1   5 33.634  67.268   0.31     4.5    24       25.1       11.2
   40   4   2   0 33.895  67.791   0.312    4.43   12       58.3       29.9
   41   5   0   2 34.101  68.201   0.313    4.37   12        2.5        0.1
   42   4   1   3 34.186  68.371   0.314    4.35   24       62.7       67.9
   43   4   2   1 34.46   68.92    0.316    4.28   24        2.8        0.1
   44   4   0   4 34.713  69.427   0.318    4.21   12       29.3        7.2
   45   0   0   6 35.05   70.1     0.321    4.13    2      106.7       15.6
   46   3   3   2 35.459  70.918   0.324    4.04   12       47.4       18.0
   47   1   0   6 35.724  71.448   0.326    3.98   12       17.3        2.4
   48   5   1   0 35.93   71.86    0.328    3.93   12       14.8        1.7
   49   4   2   2 36.13   72.26    0.33     3.89   24       10.9        1.8
   50   5   1   1 36.48   72.961   0.332    3.82   24       11.8        2.1
   51   3   2   4 36.728  73.456   0.334    3.77   24       58.7       51.6
   52   1   1   6 37.057  74.113   0.337    3.71   12       52.7       20.5
   53   3   1   5 37.668  75.337   0.342    3.6    24       23.5        7.9
   54   2   0   6 37.716  75.433   0.342    3.59   12       53.6       20.5
   55   4   1   4 38.047  76.094   0.345    3.54   24       20.0        5.6
   56   5   1   2 38.114  76.228   0.345    3.53   24       57.1       45.6
   57   4   2   3 38.848  77.697   0.351    3.41   24       17.7        4.3
   58   6   0   0 39.223  78.447   0.353    3.36    6       62.1       12.9
   59   2   1   6 39.673  79.346   0.357    3.3    24       48.6       30.9
   60   4   3   0 39.872  79.743   0.358    3.27   12       19.3        2.4
   61   4   3   1 40.404  80.808   0.362    3.21   24        2.8        0.1
   62   5   0   4 40.644  81.288   0.364    3.18   12       30.3        5.8
   63   5   1   3 40.79   81.579   0.365    3.16   24        9.0        1.0
   64   3   0   6 40.963  81.926   0.366    3.14   12        1.2        0.0
   65   5   2   0 41.16   82.321   0.368    3.12   12       54.6       18.5
   66   6   0   2 41.352  82.705   0.369    3.1    12      116.0       82.9
   67   3   2   5 41.558  83.116   0.371    3.08   24       18.7        4.3
   68   5   2   1 41.689  83.379   0.372    3.07   24       57.2       39.9
   69   3   3   4 41.928  83.855   0.374    3.04   12       10.4        0.6
   70   4   3   2 41.993  83.986   0.374    3.04   24        0.4        0.0
   71   4   2   4 42.567  85.134   0.378    2.99   24       69.0       56.5
   72   4   1   5 42.837  85.675   0.38     2.97   24       41.1       19.9
   73   2   2   6 42.884  85.768   0.38     2.96   12       61.4       22.2
   74   5   2   2 43.27   86.541   0.383    2.93   24       41.1       19.7
   75   3   1   6 43.521  87.043   0.385    2.92   24       39.6       18.2
   76   6   1   0 43.717  87.434   0.386    2.9    12       34.3        6.8
   77   6   1   1 44.242  88.484   0.39     2.87   24        0.5        0.0
   78   5   1   4 44.479  88.958   0.392    2.86   24       15.6        2.8
   79   4   3   3 44.623  89.246   0.393    2.85   24       58.3       38.4


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

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

    1   1   0   0   6.05   12.099  8.48705     1309.9    100.0    100.0     5.6
    2   1   1   0  10.518  21.036  4.9          229.3     17.5     17.4     5.6
    3   0   0   2  11.036  22.073  4.6725        88.1      6.7      6.7     5.6
    4   1   0   2  12.622  25.245  4.09318      383.2     29.3     29.0     5.6
    5   1   1   2  15.338  30.676  3.38152      433.7     33.1     32.7     5.6
    6   2   0   2  16.543  33.086  3.14136      482.2     36.8     36.3     5.6
    7   2   1   1  17.146  34.292  3.03403      656.2     50.1     49.3     5.7
    8   2   1   2  19.769  39.538  2.64456      189.9     14.5     14.2     5.7
    9   2   2   0  21.413  42.826  2.45          41.3      3.2      3.1     5.7
   10   3   0   2  21.692  43.383  2.42001       19.1      1.5      1.4     5.7
   11   0   0   4  22.511  45.022  2.33625       74.0      5.6      5.5     5.7
   12   3   1   1  23.07   46.141  2.28259       19.9      1.5      1.5     5.7
   13   2   1   3  23.594  47.188  2.23473       21.7      1.7      1.6     5.7
   14   2   2   2  24.345  48.69   2.16981       37.3      2.9      2.8     5.7
   15   1   1   4  25.097  50.194  2.10882       31.9      2.4      2.4     5.7
   16   3   1   2  25.182  50.363  2.10219       70.0      5.3      5.2     5.8
   17   3   2   0  27.348  54.695  1.94706       38.3      2.9      2.8     5.8
   18   4   0   2  27.58   55.161  1.93191       32.3      2.5      2.4     5.8
   19   3   1   3  28.443  56.886  1.87799       87.5      6.7      6.4     5.8
   20   4   1   0  28.879  57.758  1.85203       35.5      2.7      2.6     5.8
   21   4   1   1  29.496  58.991  1.81669       35.4      2.7      2.6     5.8
   22   3   0   4  29.771  59.542  1.8014        49.0      3.7      3.6     5.8
   23   5   0   0  31.8    63.6    1.69741       59.5      4.5      4.3     5.9
   24   2   2   4  31.94   63.88   1.69076      157.5     12.0     11.4     5.9
   25   3   1   4  32.644  65.289  1.65818       14.5      1.1      1.0     5.9
   26   3   2   3  32.803  65.606  1.65106       16.7      1.3      1.2     5.9
   27   3   3   0  33.204  66.409  1.63333       17.5      1.3      1.3     5.9
   28   4   2   0  33.895  67.791  1.6039        29.9      2.3      2.2     5.9
   29   4   1   3  34.186  68.371  1.59191       67.9      5.2      4.9     5.9
   30   0   0   6  35.05   70.1    1.5575        15.6      1.2      1.1     5.9
   31   3   3   2  35.459  70.918  1.54185       18.0      1.4      1.3     5.9
   32   3   2   4  36.728  73.456  1.49572       51.6      3.9      3.7     6.0
   33   1   1   6  37.057  74.113  1.48432       20.5      1.6      1.5     6.0
   34   2   0   6  37.716  75.433  1.46213       20.5      1.6      1.5     6.0
   35   5   1   2  38.114  76.228  1.44915       45.6      3.5      3.2     6.0
   36   2   1   6  39.673  79.346  1.40108       30.9      2.4      2.2     6.0
   37   5   2   0  41.16   82.321  1.35902       18.5      1.4      1.3     6.1
   38   6   0   2  41.352  82.705  1.35383       82.9      6.3      5.8     6.1
   39   5   2   1  41.689  83.379  1.34487       39.9      3.0      2.8     6.1
   40   4   2   4  42.567  85.134  1.32228       56.5      4.3      3.9     6.1
   41   4   1   5  42.837  85.675  1.31554       19.9      1.5      1.4     6.1
   42   2   2   6  42.884  85.768  1.31439       22.2      1.7      1.5     6.1
   43   5   2   2  43.27   86.541  1.30494       19.7      1.5      1.4     6.1
   44   3   1   6  43.521  87.043  1.2989        18.2      1.4      1.3     6.1
   45   4   3   3  44.623  89.246  1.27336       38.4      2.9      2.6     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)