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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COLORADOITE

1, t-sphalerite

HgTe


Cubic  F 4(-)3m  Z = 4

F4(-)3m

20 .5 .1992

Ref.Str.:

         Wyckoff R.W.G. (1964)

         * Crystal Structures, 1, 346-348

                   Initial data from BDM-file 

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

             a =   6.429    alpha =   90.0 
             b =   6.429    beta  =   90.0 
             c =   6.429    gamma =   90.0 

    Unit cell volume (cub. angs.) =   265.72

    Molar volume ( cub.cm/mol.) =    40.01

  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    Hg    = 1.00
   2 0.25    0.25    0.25     0.0    Te    = 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     0.25       0.25       0.25  
     3       1     0.5        0.0        0.5   
     4       2     0.25       0.75       0.75  
     5       1     0.0        0.5        0.5   
     6       2     0.75       0.75       0.25  
     7       1     0.5        0.5        0.0   
     8       2     0.75       0.25       0.75  


X-ray density (g/cm cub.)   =      8.2 

MU (1/cm) =    2861.6      Mass attenuation coefficient (cm**2/g) =    348.936

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

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

    1    Hg                  3.876        4
                                                 2.7838       2
                                                 2.7838       2
                                                 2.7838       2
                                                 2.7838       2
    2    Te                  5.064       12
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2
                                                 4.546        2

  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   1 13.944  27.889   0.135   31.6     8      346.4    42962.9
    2   2   0   0 16.156  32.313   0.156   23.05    6      109.1     2331.1
    3   2   2   0 23.173  46.347   0.22    10.37   12      427.3    32186.8
    4   1   1   3 27.48   54.96    0.258    7.04   24      296.2    20984.1
    5   2   2   2 28.813  57.627   0.269    6.32    8       99.3      706.8
    6   4   0   0 33.815  67.63    0.311    4.45    6      379.6     5448.1
    7   3   3   1 37.333  74.666   0.339    3.66   24      267.2     8878.9
    8   4   2   0 38.477  76.954   0.348    3.47   24       92.1      999.5
    9   2   2   4 42.968  85.936   0.381    2.96   24      347.3    12119.3


  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   1  13.944  27.889  3.71178    42962.9    100.0    100.0     5.6
    2   2   0   0  16.156  32.313  3.2145      2331.1      5.4      5.4     5.6
    3   2   2   0  23.173  46.347  2.27299    32186.8     74.9     73.6     5.7
    4   1   1   3  27.48   54.96   1.93842    20984.1     48.8     47.5     5.8
    5   2   2   2  28.813  57.627  1.85589      706.8      1.6      1.6     5.8
    6   4   0   0  33.815  67.63   1.60725     5448.1     12.7     12.1     5.9
    7   3   3   1  37.333  74.666  1.47491     8878.9     20.7     19.5     6.0
    8   4   2   0  38.477  76.954  1.43757      999.5      2.3      2.2     6.0
    9   2   2   4  42.968  85.936  1.31231    12119.3     28.2     25.9     6.1

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)