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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ALMANDINE

5, t-garnet, Co-analogue, at 0.0001 GPa

Co(3)Al(2)Si(3)O(12)


Cubic  I a3d  Z = 8

Ia3d

10 .2 .10

Ref.Str.:

         Taran M.N., Nestola F., Ohashi H., Koch-Muller M., Balic-Zunic T. (2007)

         * Amer. Miner., 22, 159-169

         R: High-pressure X-ray diffraction studies.

         N.A.D.

                   Initial data from BDM-file 

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

             a =  11.4586   alpha =   90.0 
             b =  11.4586   beta  =   90.0 
             c =  11.4586   gamma =   90.0 

    Unit cell volume (cub. angs.) =  1504.51

    Molar volume ( cub.cm/mol.) =   113.28

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

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

   1 0.125   0.0     0.25     0.0    Co    = 1.00
   2 0.0     0.0     0.0      0.0    Al    = 1.00
   3 0.375   0.0     0.25     0.0    Si    = 1.00
   4 0.0338  0.0506  0.6528   0.0    O     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.125      0.0        0.25  
     2       2     0.0        0.0        0.0   
     3       3     0.375      0.0        0.25  
     4       4     0.0338     0.0506     0.6528
     5       1     0.875      0.0        0.75  
     6       3     0.625      0.0        0.75  
     7       4     0.9662     0.9494     0.3472
     8       1     0.75       0.375      0.0   
     9       1     0.375      0.0        0.75  
    10       1     0.75       0.625      0.5   
    11       2     0.75       0.25       0.75  
    12       2     0.5        0.0        0.5   
    13       2     0.75       0.75       0.25  
    14       3     0.75       0.625      0.0   
    15       3     0.125      0.0        0.75  
    16       3     0.75       0.375      0.5   
    17       4     0.6994     0.2838     0.4028
    18       4     0.4662     0.9494     0.1528
    19       4     0.8006     0.7162     0.9028
    20       1     0.75       0.125      0.5   
    21       1     0.625      0.0        0.25  
    22       1     0.75       0.875      0.0   
    23       3     0.75       0.875      0.5   
    24       3     0.875      0.0        0.25  
    25       3     0.75       0.125      0.0   
    26       4     0.8006     0.2162     0.0972
    27       4     0.5338     0.0506     0.8472
    28       4     0.6994     0.7838     0.5972
    29       2     0.0        0.0        0.5   
    30       4     0.9662     0.0506     0.1528
    31       4     0.0338     0.9494     0.8472
    32       1     0.25       0.375      0.5   
    33       1     0.25       0.625      0.0   
    34       2     0.25       0.25       0.25  
    35       2     0.5        0.0        0.0   
    36       2     0.25       0.75       0.75  
    37       3     0.25       0.625      0.5   
    38       3     0.25       0.375      0.0   
    39       4     0.3006     0.2838     0.9028
    40       4     0.5338     0.9494     0.6528
    41       4     0.1994     0.7162     0.4028
    42       1     0.25       0.125      0.0   
    43       1     0.25       0.875      0.5   
    44       3     0.25       0.875      0.0   
    45       3     0.25       0.125      0.5   
    46       4     0.1994     0.2162     0.5972
    47       4     0.4662     0.0506     0.3472
    48       4     0.3006     0.7838     0.0972
    49       1     0.375      0.5        0.25  
    50       2     0.5        0.5        0.5   
    51       3     0.125      0.5        0.25  
    52       4     0.4662     0.4494     0.8472
    53       1     0.625      0.5        0.75  
    54       3     0.875      0.5        0.75  
    55       4     0.5338     0.5506     0.1528
    56       1     0.125      0.5        0.75  
    57       2     0.0        0.5        0.0   
    58       3     0.375      0.5        0.75  
    59       4     0.0338     0.5506     0.3472
    60       1     0.875      0.5        0.25  
    61       3     0.625      0.5        0.25  
    62       4     0.9662     0.4494     0.6528
    63       2     0.5        0.5        0.0   
    64       4     0.5338     0.4494     0.3472
    65       4     0.4662     0.5506     0.6528
    66       2     0.0        0.5        0.5   
    67       4     0.9662     0.5506     0.8472
    68       4     0.0338     0.4494     0.1528
    69       1     0.0        0.25       0.125 
    70       3     0.0        0.25       0.375 
    71       4     0.0506     0.6528     0.0338
    72       4     0.6528     0.0338     0.0506
    73       1     0.0        0.75       0.875 
    74       3     0.0        0.75       0.625 
    75       4     0.9494     0.3472     0.9662
    76       4     0.3472     0.9662     0.9494
    77       1     0.0        0.75       0.375 
    78       1     0.5        0.75       0.625 
    79       3     0.0        0.75       0.125 
    80       3     0.5        0.75       0.375 
    81       4     0.2838     0.4028     0.6994
    82       4     0.4028     0.6994     0.2838
    83       4     0.9494     0.1528     0.4662
    84       4     0.1528     0.4662     0.9494
    85       4     0.7162     0.9028     0.8006
    86       4     0.9028     0.8006     0.7162
    87       1     0.5        0.75       0.125 
    88       1     0.0        0.25       0.625 
    89       3     0.5        0.75       0.875 
    90       3     0.0        0.25       0.875 
    91       4     0.2162     0.0972     0.8006
    92       4     0.0972     0.8006     0.2162
    93       4     0.0506     0.8472     0.5338
    94       4     0.8472     0.5338     0.0506
    95       4     0.7838     0.5972     0.6994
    96       4     0.5972     0.6994     0.7838
    97       4     0.0506     0.1528     0.9662
    98       4     0.1528     0.9662     0.0506
    99       4     0.9494     0.8472     0.0338
   100       4     0.8472     0.0338     0.9494
   101       1     0.5        0.25       0.375 
   102       3     0.5        0.25       0.625 
   103       4     0.2838     0.9028     0.3006
   104       4     0.9028     0.3006     0.2838
   105       4     0.9494     0.6528     0.5338
   106       4     0.6528     0.5338     0.9494
   107       4     0.7162     0.4028     0.1994
   108       4     0.4028     0.1994     0.7162
   109       1     0.5        0.25       0.875 
   110       3     0.5        0.25       0.125 
   111       4     0.2162     0.5972     0.1994
   112       4     0.5972     0.1994     0.2162
   113       4     0.0506     0.3472     0.4662
   114       4     0.3472     0.4662     0.0506
   115       4     0.7838     0.0972     0.3006
   116       4     0.0972     0.3006     0.7838
   117       4     0.4494     0.8472     0.4662
   118       4     0.8472     0.4662     0.4494
   119       4     0.5506     0.1528     0.5338
   120       4     0.1528     0.5338     0.5506
   121       4     0.5506     0.3472     0.0338
   122       4     0.3472     0.0338     0.5506
   123       4     0.4494     0.6528     0.9662
   124       4     0.6528     0.9662     0.4494
   125       4     0.4494     0.3472     0.5338
   126       4     0.3472     0.5338     0.4494
   127       4     0.5506     0.6528     0.4662
   128       4     0.6528     0.4662     0.5506
   129       4     0.5506     0.8472     0.9662
   130       4     0.8472     0.9662     0.5506
   131       4     0.4494     0.1528     0.0338
   132       4     0.1528     0.0338     0.4494
   133       2     0.25       0.25       0.75  
   134       2     0.25       0.75       0.25  
   135       4     0.3006     0.2162     0.4028
   136       4     0.1994     0.7838     0.9028
   137       4     0.1994     0.2838     0.0972
   138       4     0.3006     0.7162     0.5972
   139       2     0.75       0.25       0.25  
   140       2     0.75       0.75       0.75  
   141       4     0.6994     0.2162     0.9028
   142       4     0.8006     0.7838     0.4028
   143       4     0.8006     0.2838     0.5972
   144       4     0.6994     0.7162     0.0972
   145       4     0.7162     0.0972     0.6994
   146       4     0.5972     0.8006     0.2838
   147       4     0.2838     0.5972     0.8006
   148       4     0.0972     0.6994     0.7162
   149       4     0.7838     0.4028     0.8006
   150       4     0.9028     0.6994     0.2162
   151       4     0.2162     0.9028     0.6994
   152       4     0.4028     0.8006     0.7838
   153       4     0.7162     0.5972     0.3006
   154       4     0.0972     0.1994     0.2838
   155       4     0.2838     0.0972     0.1994
   156       4     0.5972     0.3006     0.7162
   157       4     0.7838     0.9028     0.1994
   158       4     0.4028     0.3006     0.2162
   159       4     0.2162     0.4028     0.3006
   160       4     0.9028     0.1994     0.7838


X-ray density (g/cm cub.)   =      4.48

MU (1/cm) =     230.533    Mass attenuation coefficient (cm**2/g) =     51.513

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

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

    1    Co                  2.568        8
                                                 2.2108       4
                                                 2.2108       4
                                                 2.3392       4
                                                 2.3392       4
                                                 2.2108       4
                                                 2.3392       4
                                                 2.3392       4
                                                 2.2108       4
    2    Al                  2.316        6
                                                 1.8846       4
                                                 1.8846       4
                                                 1.8846       4
                                                 1.8846       4
                                                 1.8846       4
                                                 1.8846       4
    3    Si                  2.1          4
                                                 1.6336       4
                                                 1.6336       4
                                                 1.6336       4
                                                 1.6336       4
    4    O                   3.264        9
                                                 2.5113       4
                                                 2.7581       4
                                                 2.6227       4
                                                 2.7426       4
                                                 2.7071       4
                                                 2.6227       4
                                                 2.7071       4
                                                 2.7426       4
                                                 2.7228       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   1   2 11.023  22.047   0.107   51.81   24       76.4      320.6
    2   2   2   0 12.755  25.511   0.123   38.16   12       80.3      130.4
    3   3   2   1 16.982  33.964   0.163   20.69   48       67.3      198.6
    4   4   0   0 18.194  36.389   0.175   17.79    6      447.5      944.4
    5   4   2   0 20.432  40.864   0.195   13.76   24      468.5     3202.8
    6   3   3   2 21.477  42.955   0.205   12.31   24       68.2       60.7
    7   2   2   4 22.483  44.967   0.214   11.11   24      239.5      675.6
    8   4   3   1 23.455  46.91    0.222   10.09   48      113.0      273.3
    9   5   2   1 25.312  50.625   0.239    8.49   48      177.4      566.2
   10   4   4   0 26.204  52.409   0.247    7.84   12      174.3      126.4
   11   1   1   6 28.763  57.527   0.269    6.35   24      227.3      347.7
   12   5   3   2 28.763  57.527   0.269    6.35   48      164.2      362.9
   13   6   2   0 29.584  59.168   0.276    5.96   24       15.7        1.5
   14   5   4   1 30.39   60.781   0.283    5.61   48       20.2        4.9
   15   6   3   1 31.967  63.934   0.296    5.02   48       38.9       16.1
   16   4   4   4 32.739  65.478   0.302    4.76    8      552.8      514.7
   17   5   4   3 33.502  67.004   0.309    4.54   48       26.7        6.9
   18   6   4   0 34.257  68.513   0.315    4.33   24      473.5     1029.5
   19   3   3   6 35.003  70.006   0.321    4.14   24       81.2       29.0
   20   5   5   2 35.003  70.006   0.321    4.14   24      121.9       65.3
   21   7   2   1 35.003  70.006   0.321    4.14   48       65.9       38.2
   22   6   4   2 35.743  71.486   0.327    3.97   48      367.0     1135.0
   23   6   5   1 37.926  75.852   0.344    3.56   48       76.3       43.9
   24   7   3   2 37.926  75.852   0.344    3.56   48       18.6        2.6
   25   8   0   0 38.644  77.288   0.349    3.44    6      602.6      331.3
   26   7   4   1 39.358  78.716   0.354    3.34   48       64.5       29.5
   27   8   2   0 40.068  80.137   0.36     3.25   24       49.2        8.3
   28   6   5   3 40.776  81.551   0.365    3.16   48        1.8        0.0
   29   2   2   8 41.48   82.961   0.37     3.09   24       26.8        2.4
   30   6   6   0 41.48   82.961   0.37     3.09   12       84.5       11.7
   31   7   4   3 42.183  84.366   0.375    3.02   48       39.6       10.1
   32   8   3   1 42.183  84.366   0.375    3.02   48       12.5        1.0
   33   7   5   2 43.583  87.167   0.385    2.91   48       14.1        1.2
   34   8   4   0 44.282  88.564   0.39     2.87   24      303.3      279.7


  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   1   2  11.023  22.047  4.67795      320.6     10.0     10.2     5.6
    2   2   2   0  12.755  25.511  4.05123      130.4      4.1      4.1     5.6
    3   3   2   1  16.982  33.964  3.06244      198.6      6.2      6.2     5.7
    4   4   0   0  18.194  36.389  2.86465      944.4     29.5     29.6     5.7
    5   4   2   0  20.432  40.864  2.56222     3202.8    100.0    100.0     5.7
    6   3   3   2  21.477  42.955  2.44298       60.7      1.9      1.9     5.7
    7   2   2   4  22.483  44.967  2.33898      675.6     21.1     21.0     5.7
    8   4   3   1  23.455  46.91   2.24722      273.3      8.5      8.5     5.7
    9   5   2   1  25.312  50.625  2.09204      566.2     17.7     17.5     5.8
   10   4   4   0  26.204  52.409  2.02561      126.4      3.9      3.9     5.8
   11   5   3   2  28.763  57.527  1.85883      710.6     22.2     21.7     5.8
   12   4   4   4  32.739  65.478  1.65391      514.7     16.1     15.6     5.9
   13   6   4   0  34.257  68.513  1.58902     1029.5     32.1     31.0     5.9
   14   7   2   1  35.003  70.006  1.55932      132.5      4.1      4.0     5.9
   15   6   4   2  35.743  71.486  1.53122     1135.0     35.4     34.0     5.9
   16   6   5   1  37.926  75.852  1.45524       46.5      1.5      1.4     6.0
   17   8   0   0  38.644  77.288  1.43233      331.3     10.3      9.8     6.0
   18   8   4   0  44.282  88.564  1.28111      279.7      8.7      8.0     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)