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

10, Be, syn, t-beryl, f-cordierite, DF

(Mg,Fe)(2)(Al,Be)(3)Cs(0.16)Na(0.02)[Si(5.7)Al(0.3)]O(18)


Hexagonal  P 6/mcc  Z = 2

R =0.036          NR =597

17 .11 .15

Ref.Str.:

         Mikhailov M.A., Rozhdestvenckaya I.V., Bannova I.I. (2012)

         * Crystallogr. Reports, 57, 759-767

         L: $ Al2.16 Mg1.9 Fe0.1 Be1.02 Cs0.16 Na0.02 Si5.82 O18$

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   9.598    alpha =   90.0 
             b =   9.598    beta  =   90.0 
             c =   9.284    gamma =  120.0 

    Unit cell volume (cub. angs.) =   740.67

    Molar volume ( cub.cm/mol.) =   223.07

  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    = 0.95, Fe    = 0.05
   2 0.3746  0.1064  0.0      0.0    Si    = 0.93, Al    = 0.07, Be    = 0.08
   3 0.5     0.0     0.25     0.0    Al    = 0.66, Be    = 0.34
   4 0.0     0.0     0.25     0.0    Cs    = 0.16, Cs    = 0.0 
   5 0.0     0.0     0.0      0.0    Na    = 0.02, Na    = 0.0 
   6 0.3032  0.227   0.0      0.0    O     = 1.00
   7 0.4832  0.1355  0.143    0.0    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     0.3746     0.1064     0.0   
     3       3     0.5        0.0        0.25  
     4       4     0.0        0.0        0.25  
     5       5     0.0        0.0        0.0   
     6       6     0.3032     0.227      0.0   
     7       7     0.4832     0.1355     0.143 
     8       2     0.8936     0.2681     0.0   
     9       2     0.7319     0.6254     0.0   
    10       3     0.0        0.5        0.25  
    11       3     0.5        0.5        0.25  
    12       6     0.773      0.0762     0.0   
    13       6     0.9238     0.6968     0.0   
    14       7     0.8645     0.3477     0.143 
    15       7     0.6523     0.5168     0.143 
    16       1     0.6667     0.3333     0.25  
    17       2     0.6254     0.8936     0.0   
    18       6     0.6968     0.773      0.0   
    19       7     0.5168     0.8645     0.143 
    20       2     0.1064     0.7319     0.0   
    21       2     0.2681     0.3746     0.0   
    22       6     0.227      0.9238     0.0   
    23       6     0.0762     0.3032     0.0   
    24       7     0.1355     0.6523     0.143 
    25       7     0.3477     0.4832     0.143 
    26       1     0.3333     0.6666     0.75  
    27       2     0.3746     0.2681     0.5   
    28       3     0.5        0.5        0.75  
    29       4     0.0        0.0        0.75  
    30       5     0.0        0.0        0.5   
    31       6     0.3032     0.0762     0.5   
    32       7     0.4832     0.3477     0.643 
    33       2     0.8936     0.6255     0.5   
    34       2     0.7319     0.1064     0.5   
    35       3     0.0        0.5        0.75  
    36       3     0.5        0.0        0.75  
    37       6     0.773      0.6968     0.5   
    38       6     0.9238     0.227      0.5   
    39       7     0.8645     0.5168     0.643 
    40       7     0.6523     0.1355     0.643 
    41       1     0.6667     0.3334     0.75  
    42       2     0.6254     0.7319     0.5   
    43       6     0.6968     0.9238     0.5   
    44       7     0.5168     0.6523     0.643 
    45       2     0.1064     0.3745     0.5   
    46       2     0.2681     0.8936     0.5   
    47       6     0.227      0.3032     0.5   
    48       6     0.0762     0.773      0.5   
    49       7     0.1355     0.4832     0.643 
    50       7     0.3477     0.8645     0.643 
    51       7     0.4832     0.1355     0.857 
    52       7     0.8645     0.3477     0.857 
    53       7     0.6523     0.5168     0.857 
    54       7     0.5168     0.8645     0.857 
    55       7     0.1355     0.6523     0.857 
    56       7     0.3477     0.4832     0.857 
    57       7     0.4832     0.3477     0.357 
    58       7     0.8645     0.5168     0.357 
    59       7     0.6523     0.1355     0.357 
    60       7     0.5168     0.6523     0.357 
    61       7     0.1355     0.4832     0.357 
    62       7     0.3477     0.8645     0.357 


X-ray density (g/cm cub.)   =      2.67

MU (1/cm) =     166.494    Mass attenuation coefficient (cm**2/g) =     62.412

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

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

    1   Mg   ,Fe             2.592        6
                                                 2.0855       7
                                                 2.0852       7
                                                 2.0859       7
                                                 2.086        7
                                                 2.0855       7
                                                 2.0851       7
    2   Si   ,Al   ,Be       2.316        4
                                                 1.6128       6
                                                 1.6238       7
                                                 1.611        6
                                                 1.6238       7
    3   Al   ,Be             2.316        4
                                                 1.707        7
                                                 1.707        7
                                                 1.7071       7
                                                 1.7071       7
    4   Cs   ,Cs             3.612       12
                                                 3.5018       6
                                                 3.5017       6
                                                 3.5018       6
                                                 3.5018       6
                                                 3.5017       6
                                                 3.5018       6
                                                 3.5018       6
                                                 3.5017       6
                                                 3.5018       6
                                                 3.5018       6
                                                 3.5017       6
                                                 3.5018       6
    5   Na   ,Na             2.808        6
                                                 2.6221       6
                                                 2.622        6
                                                 2.6221       6
                                                 2.6221       6
                                                 2.622        6
                                                 2.6221       6
    6    O                   3.264        6
                                                 2.6525       7
                                                 2.622        6
                                                 2.6222       6
                                                 2.6347       7
                                                 2.6525       7
                                                 2.6347       7
    7    O                   3.264        9
                                                 2.6525       6
                                                 3.1761       7
                                                 3.1761       7
                                                 2.7764       7
                                                 2.6346       6
                                                 2.6552       7
                                                 2.8452       7
                                                 2.5655       7
                                                 3.0036       7

  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  6.178  12.355   0.06   169.75    6       61.6      703.7
    2   1   1   0 10.742  21.484   0.104   54.67    6       41.9      104.9
    3   0   0   2 11.11   22.219   0.108   50.97    2       81.9      124.7
    4   2   0   0 12.428  24.857   0.12    40.31    6        4.0        0.7
    5   1   0   2 12.75   25.5     0.123   38.2    12       51.0      217.2
    6   1   1   2 15.55   31.1     0.15    25.03   12      116.5      743.1
    7   2   1   0 16.541  33.083   0.159   21.9    12       28.2       38.0
    8   2   0   2 16.791  33.581   0.161   21.2    12      105.1      511.9
    9   2   1   1 17.492  34.983   0.168   19.4    24       97.3      803.2
   10   3   0   0 18.834  37.668   0.18    16.49    6       38.8       27.1
   11   2   1   2 20.108  40.215   0.192   14.26   24       39.2       96.0
   12   2   2   0 21.887  43.773   0.208   11.8     6       58.5       44.1
   13   3   0   2 22.084  44.167   0.21    11.56   12        7.2        1.3
   14   0   0   4 22.667  45.334   0.215   10.9     2      151.7       91.5
   15   3   1   0 22.83   45.659   0.217   10.73   12       24.9       14.6
   16   3   1   1 23.564  47.128   0.223    9.99   24       24.7       26.6
   17   1   0   4 23.586  47.171   0.224    9.97   12       30.7       20.6
   18   2   1   3 23.935  47.871   0.227    9.64   24       22.9       22.1
   19   2   2   2 24.811  49.622   0.235    8.88   12       49.7       48.0
   20   1   1   4 25.346  50.692   0.239    8.46   12       25.6       12.1
   21   4   0   0 25.495  50.991   0.241    8.35    6       20.4        3.8
   22   3   1   2 25.671  51.342   0.242    8.22   24       32.4       37.6
   23   2   0   4 26.193  52.387   0.247    7.85   12       33.8       19.6
   24   3   2   0 27.973  55.946   0.262    6.76   12       37.1       20.3
   25   4   0   2 28.138  56.276   0.264    6.67   12       46.6       31.7
   26   3   2   1 28.61   57.221   0.268    6.42   24       25.8       18.6
   27   2   1   4 28.629  57.258   0.268    6.41   24        6.8        1.3
   28   3   1   3 28.935  57.87    0.27     6.26   24       59.6       97.4
   29   4   1   0 29.546  59.093   0.276    5.97   12       82.5       89.0
   30   4   1   1 30.162  60.325   0.281    5.7    24       49.2       60.4
   31   3   0   4 30.18   60.361   0.281    5.7    12       90.2      101.4
   32   3   2   2 30.47   60.941   0.283    5.58   24       18.1        8.0
   33   4   1   2 31.967  63.935   0.296    5.02   24       41.7       38.2
   34   2   2   4 32.423  64.846   0.3      4.87   12      139.1      206.0
   35   5   0   0 32.551  65.101   0.301    4.82    6      104.5       57.6
   36   3   1   4 33.152  66.303   0.306    4.64   24       13.0        3.4
   37   3   2   3 33.433  66.866   0.308    4.56   24       36.1       26.0
   38   3   3   0 33.997  67.995   0.313    4.4     6       52.3       13.2
   39   2   1   5 34.026  68.052   0.313    4.39   24       26.4       13.4
   40   4   2   0 34.709  69.419   0.318    4.22   12       62.8       36.4
   41   5   0   2 34.856  69.711   0.319    4.18   12       18.4        3.1
   42   4   1   3 34.861  69.722   0.32     4.18   24       74.2      100.6
   43   4   2   1 35.275  70.551   0.323    4.08   24        4.6        0.4
   44   4   0   4 35.292  70.584   0.323    4.08   12       32.1        9.2
   45   0   0   6 35.315  70.629   0.323    4.07    2      123.6       22.7
   46   1   0   6 36.015  72.03    0.329    3.92   12        7.1        0.4
   47   3   3   2 36.258  72.516   0.331    3.87   12       73.3       45.5
   48   5   1   0 36.809  73.617   0.335    3.76   12        4.6        0.2
   49   4   2   2 36.951  73.902   0.336    3.73   24       15.9        4.1
   50   5   1   1 37.361  74.723   0.339    3.65   24       11.3        2.0
   51   3   2   4 37.378  74.755   0.339    3.65   24       51.1       41.7
   52   1   1   6 37.4    74.799   0.34     3.65   12       80.5       51.7
   53   2   0   6 38.085  76.17    0.345    3.53   12       59.8       27.6
   54   3   1   5 38.21   76.419   0.346    3.51   24       25.5       10.0
   55   4   1   4 38.745  77.489   0.35     3.43   24        3.5        0.2
   56   5   1   2 39.003  78.007   0.352    3.39   24       48.3       34.6
   57   4   2   3 39.685  79.371   0.357    3.3    24       21.8        6.8
   58   2   1   6 40.119  80.238   0.36     3.24   24       41.4       24.3
   59   6   0   0 40.215  80.43    0.361    3.23    6       67.9       16.3
   60   4   3   0 40.886  81.773   0.366    3.15   12        9.8        0.7
   61   4   3   1 41.423  82.846   0.37     3.09   24        1.4        0.0
   62   5   0   4 41.439  82.878   0.37     3.09   12       19.4        2.5
   63   3   0   6 41.46   82.921   0.37     3.09   12       15.6        1.6
   64   5   1   3 41.699  83.398   0.372    3.07   24       10.4        1.5
   65   5   2   0 42.223  84.446   0.376    3.02   12       78.7       40.9
   66   3   2   5 42.25   84.499   0.376    3.02   24       26.0        8.9
   67   6   0   2 42.361  84.721   0.377    3.01   12      138.3      125.7
   68   5   2   1 42.757  85.514   0.379    2.97   24       71.3       66.0
   69   3   3   4 42.773  85.546   0.38     2.97   12        6.6        0.3
   70   4   3   2 43.026  86.053   0.381    2.95   24       15.0        2.9
   71   4   2   4 43.438  86.876   0.384    2.92   24       76.8       75.4
   72   2   2   6 43.459  86.918   0.384    2.92   12       72.0       33.1
   73   4   1   5 43.58   87.16    0.385    2.91   24       54.5       37.8
   74   3   1   6 44.123  88.246   0.389    2.88   24       33.2       13.9
   75   5   2   2 44.355  88.709   0.391    2.86   24       29.3       10.8
   76   6   1   0 44.881  89.763   0.394    2.83   12       26.7        4.4


  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   6.178  12.355  8.31211      703.7     87.6     89.1     5.6
    2   1   1   0  10.742  21.484  4.799        104.9     13.1     13.2     5.6
    3   0   0   2  11.11   22.219  4.642        124.7     15.5     15.7     5.6
    4   1   0   2  12.75   25.5    4.05283      217.2     27.0     27.3     5.6
    5   1   1   2  15.55   31.1    3.33651      743.1     92.5     92.8     5.6
    6   2   1   0  16.541  33.083  3.14168       38.0      4.7      4.7     5.6
    7   2   0   2  16.791  33.581  3.09637      511.9     63.7     63.8     5.7
    8   2   1   1  17.492  34.983  2.97591      803.2    100.0    100.0     5.7
    9   3   0   0  18.834  37.668  2.7707        27.1      3.4      3.4     5.7
   10   2   1   2  20.108  40.215  2.60181       96.0     12.0     11.9     5.7
   11   2   2   0  21.887  43.773  2.3995        44.1      5.5      5.4     5.7
   12   0   0   4  22.667  45.334  2.321         91.5     11.4     11.3     5.7
   13   3   1   0  22.83   45.659  2.30537       14.6      1.8      1.8     5.7
   14   3   1   1  23.564  47.128  2.23742       47.2      5.9      5.8     5.7
   15   2   1   3  23.935  47.871  2.20469       22.1      2.7      2.7     5.7
   16   2   2   2  24.811  49.622  2.13157       48.0      6.0      5.9     5.7
   17   1   1   4  25.346  50.692  2.08946       12.1      1.5      1.5     5.8
   18   3   1   2  25.671  51.342  2.06476       37.6      4.7      4.6     5.8
   19   2   0   4  26.193  52.387  2.02641       19.6      2.4      2.4     5.8
   20   3   2   0  27.973  55.946  1.90693       20.3      2.5      2.5     5.8
   21   4   0   2  28.138  56.276  1.89666       31.7      3.9      3.9     5.8
   22   3   2   1  28.61   57.221  1.86793       19.9      2.5      2.4     5.8
   23   3   1   3  28.935  57.87   1.84877       97.4     12.1     11.8     5.8
   24   4   1   0  29.546  59.093  1.81385       89.0     11.1     10.8     5.8
   25   3   0   4  30.18   60.361  1.77922      161.8     20.1     19.6     5.8
   26   4   1   2  31.967  63.935  1.68945       38.2      4.8      4.6     5.9
   27   2   2   4  32.423  64.846  1.66826      206.0     25.6     24.7     5.9
   28   5   0   0  32.551  65.101  1.66242       57.6      7.2      6.9     5.9
   29   3   2   3  33.433  66.866  1.62346       26.0      3.2      3.1     5.9
   30   2   1   5  34.026  68.052  1.59849       26.6      3.3      3.2     5.9
   31   4   2   0  34.709  69.419  1.57084       36.4      4.5      4.3     5.9
   32   4   1   3  34.861  69.722  1.56486      103.6     12.9     12.3     5.9
   33   0   0   6  35.315  70.629  1.54733       31.9      4.0      3.8     5.9
   34   3   3   2  36.258  72.516  1.51238       45.5      5.7      5.4     5.9
   35   1   1   6  37.4    74.799  1.47268       95.5     11.9     11.3     6.0
   36   2   0   6  38.085  76.17   1.45009       27.6      3.4      3.2     6.0
   37   3   1   5  38.21   76.419  1.44608       10.0      1.2      1.2     6.0
   38   5   1   2  39.003  78.007  1.42121       34.6      4.3      4.1     6.0
   39   2   1   6  40.119  80.238  1.38811       24.3      3.0      2.8     6.0
   40   6   0   0  40.215  80.43   1.38535       16.3      2.0      1.9     6.0
   41   5   2   0  42.223  84.446  1.331         49.8      6.2      5.7     6.1
   42   6   0   2  42.361  84.721  1.3275       125.7     15.7     14.5     6.1
   43   5   2   1  42.757  85.514  1.31753       66.3      8.3      7.6     6.1
   44   4   2   4  43.438  86.876  1.30091      108.5     13.5     12.4     6.1
   45   4   1   5  43.58   87.16   1.2975        37.8      4.7      4.3     6.2
   46   3   1   6  44.123  88.246  1.28477       13.9      1.7      1.6     6.2
   47   5   2   2  44.355  88.709  1.27945       10.8      1.3      1.2     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)