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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CADMOINDITE

1

[Cd(0.82)Fe(0.14)Zn(0.05)]In(2)S(4)


Cubic  F d3m  Z = 8

Fd3m

25 .2 .1905

Ref.Str.:

         I.V. Chapligin et al. (2004)

         * ZVMO, N 4, 21-24

Reserv:

         N.A.D.

                   Initial data from BDM-file 

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

             a =  10.81     alpha =   90.0 
             b =  10.81     beta  =   90.0 
             c =  10.81     gamma =   90.0 

    Unit cell volume (cub. angs.) =  1263.21

    Molar volume ( cub.cm/mol.) =    95.11

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

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

   1 0.0     0.0     0.0      0.0    Cd    = 0.82, Fe    = 0.14, Zn    = 0.05
   2 0.625   0.625   0.625    0.0    In    = 1.00
   3 0.385   0.385   0.385    0.0    S     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.0        0.0   
     2       2     0.625      0.625      0.625 
     3       3     0.385      0.385      0.385 
     4       1     0.75       0.75       0.25  
     5       1     0.0        0.5        0.5   
     6       1     0.25       0.75       0.75  
     7       2     0.125      0.375      0.875 
     8       2     0.375      0.875      0.125 
     9       2     0.875      0.125      0.375 
    10       3     0.365      0.135      0.635 
    11       3     0.615      0.115      0.885 
    12       3     0.635      0.365      0.135 
    13       1     0.75       0.25       0.75  
    14       1     0.5        0.0        0.5   
    15       2     0.125      0.875      0.375 
    16       2     0.875      0.375      0.125 
    17       2     0.375      0.125      0.875 
    18       3     0.365      0.635      0.135 
    19       3     0.115      0.615      0.885 
    20       3     0.135      0.365      0.635 
    21       1     0.25       0.25       0.25  
    22       1     0.5        0.5        0.0   
    23       2     0.375      0.375      0.625 
    24       2     0.375      0.625      0.375 
    25       2     0.125      0.625      0.125 
    26       2     0.875      0.625      0.875 
    27       2     0.125      0.125      0.625 
    28       2     0.625      0.375      0.375 
    29       2     0.625      0.125      0.125 
    30       2     0.625      0.875      0.875 
    31       2     0.875      0.875      0.625 
    32       3     0.615      0.615      0.385 
    33       3     0.135      0.865      0.135 
    34       3     0.885      0.385      0.885 
    35       3     0.635      0.865      0.635 
    36       3     0.885      0.885      0.385 
    37       3     0.865      0.135      0.135 
    38       3     0.385      0.885      0.885 
    39       3     0.865      0.635      0.635 
    40       3     0.115      0.115      0.385 
    41       3     0.385      0.615      0.615 
    42       3     0.615      0.385      0.615 
    43       3     0.135      0.635      0.365 
    44       3     0.865      0.365      0.365 
    45       3     0.115      0.385      0.115 
    46       3     0.885      0.615      0.115 
    47       3     0.365      0.365      0.865 
    48       3     0.635      0.635      0.865 
    49       3     0.615      0.885      0.115 
    50       3     0.385      0.115      0.115 
    51       3     0.365      0.865      0.365 
    52       3     0.635      0.135      0.365 
    53       3     0.865      0.865      0.865 
    54       3     0.135      0.135      0.865 
    55       3     0.885      0.115      0.615 
    56       3     0.115      0.885      0.615 


X-ray density (g/cm cub.)   =      4.85

MU (1/cm) =     957.982    Mass attenuation coefficient (cm**2/g) =    197.609

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

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

    1   Cd   ,Fe   ,Zn       3.372        4
                                                 2.5277       3
                                                 2.5277       3
                                                 2.5277       3
                                                 2.5277       3
    2    In                  3.744        6
                                                 2.5989       3
                                                 2.5989       3
                                                 2.5989       3
                                                 2.5989       3
                                                 2.5989       3
                                                 2.5989       3
    3    S                   4.368       12
                                                 3.828        3
                                                 3.828        3
                                                 3.828        3
                                                 3.828        3
                                                 3.5162       3
                                                 4.1277       3
                                                 3.5162       3
                                                 3.5162       3
                                                 3.828        3
                                                 4.1277       3
                                                 4.1277       3
                                                 3.828        3

  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   1   1  7.089  14.179   0.08   128.34    8      179.2     2067.0
    2   2   2   0 11.627  23.254   0.131   46.35   12      323.2     3640.3
    3   1   1   3 13.67   27.34    0.153   32.97   24      542.1    14569.9
    4   2   2   2 14.291  28.581   0.16    30.0     8      277.0     1153.5
    5   4   0   0 16.56   33.121   0.185   21.85    6      722.9     4293.6
    6   3   3   1 18.095  36.191   0.202   18.01   24       58.9       93.9
    7   4   2   0 18.582  37.165   0.207   16.99   24        0.0        0.0
    8   2   2   4 20.431  40.862   0.227   13.77   24      268.6     1494.1
    9   1   1   5 21.732  43.463   0.24    11.99   24      559.3     5641.6
   10   3   3   3 21.732  43.463   0.24    11.99    8      395.5      940.3
   11   4   4   0 23.771  47.543   0.262    9.79   12     1137.5     9525.8
   12   5   3   1 24.933  49.866   0.274    8.78   48      132.1      460.8
   13   4   4   2 25.311  50.623   0.278    8.49   24       19.1        4.7
   14   6   2   0 26.786  53.573   0.293    7.46   24      232.2      605.0
   15   3   3   5 27.856  55.713   0.303    6.82   24      435.6     1947.5
   16   2   2   6 28.207  56.414   0.307    6.63   24      266.4      708.3
   17   4   4   4 29.583  59.165   0.32     5.96    8      556.3      924.2
   18   1   1   7 30.589  61.177   0.33     5.53   24       51.1       21.7
   19   5   5   1 30.589  61.177   0.33     5.53   24      189.0      297.0
   20   6   4   0 30.92   61.839   0.334    5.4    24        0.0        0.0
   21   6   4   2 32.224  64.448   0.346    4.93   48      238.3      842.4
   22   5   5   3 33.184  66.368   0.355    4.63   24      461.3     1481.7
   23   7   3   1 33.184  66.368   0.355    4.63   48      334.3     1556.7
   24   8   0   0 34.754  69.507   0.37     4.2     6      944.6     1410.7
   25   3   3   7 35.68   71.36    0.379    3.99   24       12.6        0.9
   26   4   4   6 35.986  71.973   0.381    3.92   24       15.4        1.4
   27   8   2   0 35.986  71.973   0.381    3.92   24        0.0        0.0
   28   2   2   8 37.202  74.404   0.392    3.68   24      213.5      252.5
   29   6   6   0 37.202  74.404   0.392    3.68   12      245.8      167.3
   30   5   5   5 38.104  76.209   0.401    3.53    8      494.0      431.5
   31   7   5   1 38.104  76.209   0.401    3.53   48      369.7     1449.7
   32   6   6   2 38.404  76.807   0.403    3.48   24      240.7      303.2
   33   8   4   0 39.593  79.187   0.414    3.31   24      474.5     1120.0
   34   1   1   9 40.479  80.959   0.421    3.2    24      166.8      133.8
   35   7   5   3 40.479  80.959   0.421    3.2    48       51.2       25.2
   36   8   4   2 40.774  81.548   0.424    3.16   48       30.4        8.8
   37   6   6   4 41.947  83.894   0.434    3.04   24      163.9      123.0
   38   9   3   1 42.823  85.647   0.441    2.97   48      409.9     1500.2
   39   4   4   8 44.28   88.56    0.453    2.87   24      828.5     2960.1


  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   1   1   7.089  14.179  6.24116     2067.0     14.2     14.3     5.6
    2   2   2   0  11.627  23.254  3.82191     3640.3     25.0     25.1     5.6
    3   1   1   3  13.67   27.34   3.25934    14569.9    100.0    100.0     5.6
    4   2   2   2  14.291  28.581  3.12058     1153.5      7.9      7.9     5.6
    5   4   0   0  16.56   33.121  2.7025      4293.6     29.5     29.3     5.6
    6   2   2   4  20.431  40.862  2.20658     1494.1     10.3     10.1     5.7
    7   1   1   5  21.732  43.463  2.08039     6581.9     45.2     44.5     5.7
    8   4   4   0  23.771  47.543  1.91096     9525.8     65.4     64.1     5.7
    9   5   3   1  24.933  49.866  1.82722      460.8      3.2      3.1     5.7
   10   6   2   0  26.786  53.573  1.70921      605.0      4.2      4.0     5.8
   11   3   3   5  27.856  55.713  1.64851     1947.5     13.4     13.0     5.8
   12   2   2   6  28.207  56.414  1.62967      708.3      4.9      4.7     5.8
   13   4   4   4  29.583  59.165  1.56029      924.2      6.3      6.1     5.8
   14   5   5   1  30.589  61.177  1.5137       318.7      2.2      2.1     5.8
   15   6   4   2  32.224  64.448  1.44455      842.4      5.8      5.5     5.9
   16   7   3   1  33.184  66.368  1.40734     3038.5     20.9     19.9     5.9
   17   8   0   0  34.754  69.507  1.35125     1410.7      9.7      9.2     5.9
   18   2   2   8  37.202  74.404  1.27397      419.8      2.9      2.7     6.0
   19   7   5   1  38.104  76.209  1.24823     1881.2     12.9     12.1     6.0
   20   6   6   2  38.404  76.807  1.23999      303.2      2.1      1.9     6.0
   21   8   4   0  39.593  79.187  1.20859     1120.0      7.7      7.2     6.0
   22   1   1   9  40.479  80.959  1.18655      159.0      1.1      1.0     6.1
   23   9   3   1  42.823  85.647  1.1332      1500.2     10.3      9.4     6.1
   24   4   4   8  44.28   88.56   1.10329     2960.1     20.3     18.5     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)