Institute of Experimental Mineralogy
                 Russian Academy of Sciences
     -------------------------------------------------
           142432, Chernogolovka, Moscow district
             A.V. Chichagov  +7(496)52-22320

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STANNITE

3, t-stannite, syn, f-stannite, sf-proper-stannite, s-stannite

Cu(2)FeSnS(4)


Tetragonal  I 4(-)2m  Z = 2

I4(-)2m

10 .5 .11

Ref.Str.:

         Bonazzi P, Bindi L, Bernardini G P, Menchetti S. (2003)

         * Canad. Mineral., 41, 639-647

         R: N.A.D.

                   Initial data from BDM-file 

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

             a =   5.4495   alpha =   90.0 
             b =   5.4495   beta  =   90.0 
             c =  10.726    gamma =   90.0 

    Unit cell volume (cub. angs.) =   318.53

    Molar volume ( cub.cm/mol.) =    95.93

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

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

   1 0.0     0.5     0.25     0.0    Cu    = 1.00
   2 0.0     0.0     0.0      0.0    Fe    = 1.00
   3 0.0     0.0     0.5      0.0    Sn    = 1.00
   4 0.7558  0.7558  0.8701   0.0    S     = 1.00


  Co-ordinates for all atomic positions :

   No       NoP      x/a        y/b       z/c 

     1       1     0.0        0.5        0.25  
     2       2     0.0        0.0        0.0   
     3       3     0.0        0.0        0.5   
     4       4     0.7558     0.7558     0.8701
     5       1     0.5        0.0        0.75  
     6       4     0.7558     0.2442     0.1299
     7       4     0.2442     0.2442     0.8701
     8       4     0.2442     0.7558     0.1299
     9       1     0.0        0.5        0.75  
    10       1     0.5        0.0        0.25  
    11       2     0.5        0.5        0.5   
    12       3     0.5        0.5        0.0   
    13       4     0.7442     0.7442     0.3701
    14       4     0.7442     0.2558     0.6299
    15       4     0.2558     0.2558     0.3701
    16       4     0.2558     0.7442     0.6299


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

MU (1/cm) =     782.042    Mass attenuation coefficient (cm**2/g) =    174.545

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

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

    1    Cu                  3.36         4
                                                 2.3182       4
                                                 2.3182       4
                                                 2.3182       4
                                                 2.3182       4
    2    Fe                  3.144        4
                                                 2.3414       4
                                                 2.3414       4
                                                 2.3414       4
                                                 2.3414       4
    3    Sn                  3.408        4
                                                 2.414        4
                                                 2.414        4
                                                 2.414        4
                                                 2.414        4
    4    S                   4.368       12
                                                 3.8531       4
                                                 3.9416       4
                                                 3.7638       4
                                                 3.8544       4
                                                 3.8544       4
                                                 3.9429       4
                                                 3.8531       4
                                                 3.9416       4
                                                 3.7508       4
                                                 3.7508       4
                                                 3.7508       4
                                                 3.7508       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   0   0   2  9.601  19.202   0.093   68.98    2       23.2       73.1
    2   1   0   1 10.609  21.218   0.103   56.1     8       42.4      795.5
    3   1   1   0 13.422  26.844   0.13    34.27    4       26.6       95.3
    4   1   1   2 16.608  33.217   0.16    21.71    8      253.1    10964.9
    5   1   0   3 17.41   34.821   0.167   19.6     8       44.8      310.4
    6   2   0   0 19.164  38.328   0.184   15.87    4      134.4     1129.5
    7   0   0   4 19.485  38.971   0.186   15.3     2      134.7      546.7
    8   2   0   2 21.605  43.211   0.206   12.15    8       24.2       56.0
    9   2   1   1 22.109  44.219   0.21    11.53   16       42.4      327.5
   10   1   1   4 23.978  47.956   0.227    9.6     8       19.6       29.2
   11   2   1   3 26.371  52.741   0.248    7.73   16       36.2      160.1
   12   1   0   5 26.622  53.244   0.25     7.57    8       39.9       94.9
   13   2   2   0 27.662  55.323   0.26     6.93    4      283.2     2193.0
   14   2   0   4 27.905  55.81    0.262    6.8     8      282.0     4261.2
   15   2   2   2 29.558  59.115   0.276    5.97    8        8.4        3.3
   16   3   0   1 29.962  59.923   0.279    5.79    8       42.6       82.7
   17   0   0   6 30.023  60.046   0.28     5.76    2       26.4        7.9
   18   3   1   0 31.268  62.536   0.29     5.27    8       11.7        5.7
   19   3   1   2 33.037  66.074   0.305    4.67   16      206.2     3133.9
   20   1   1   6 33.475  66.95    0.308    4.54    8      204.9     1505.0
   21   3   0   3 33.526  67.052   0.309    4.53    8       29.7       31.6
   22   2   1   5 33.744  67.488   0.311    4.47   16       34.4       83.3
   23   2   2   4 34.866  69.732   0.32     4.18    8      120.4      477.8
   24   3   2   1 36.702  73.403   0.334    3.78   16       29.8       53.1
   25   2   0   6 36.757  73.514   0.335    3.77    8        3.2        0.3
   26   1   0   7 37.328  74.656   0.339    3.66    8       32.5       30.4
   27   3   1   4 38.096  76.193   0.345    3.53   16       12.2        8.3
   28   3   2   3 39.979  79.958   0.359    3.26   16       39.5       80.0
   29   3   0   5 40.183  80.366   0.361    3.23    8       29.5       22.2
   30   4   0   0 41.037  82.074   0.367    3.13    4      242.0      723.3
   31   0   0   8 41.846  83.693   0.373    3.05    2      238.7      342.8
   32   4   0   2 42.641  85.281   0.379    2.98    8        3.4        0.3
   33   4   1   1 42.99   85.98    0.381    2.95   16       32.2       48.2
   34   2   2   6 43.043  86.087   0.382    2.95    8       18.9        8.3
   35   2   1   7 43.593  87.187   0.385    2.91   16       34.9       56.0
   36   3   3   0 44.137  88.273   0.389    2.88    4        7.7        0.7
   37   1   1   8 44.94   89.88    0.395    2.83    8       16.8        6.3


  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   0   1  10.609  21.218  4.85841      795.5      7.3      7.3     5.6
    2   1   1   2  16.608  33.217  3.12936    10964.9    100.0    100.0     5.6
    3   1   0   3  17.41   34.821  2.98938      310.4      2.8      2.8     5.7
    4   2   0   0  19.164  38.328  2.72475     1129.5     10.3     10.3     5.7
    5   0   0   4  19.485  38.971  2.6815       546.7      5.0      5.0     5.7
    6   2   1   1  22.109  44.219  2.37652      327.5      3.0      3.0     5.7
    7   2   1   3  26.371  52.741  2.01376      160.1      1.5      1.4     5.8
    8   2   2   0  27.662  55.323  1.92669     2193.0     20.0     19.5     5.8
    9   2   0   4  27.905  55.81   1.91121     4261.2     38.9     37.9     5.8
   10   3   1   2  33.037  66.074  1.64066     3133.9     28.6     27.5     5.9
   11   1   1   6  33.475  66.95   1.62165     1505.0     13.7     13.2     5.9
   12   2   2   4  34.866  69.732  1.56468      477.8      4.4      4.2     5.9
   13   4   0   0  41.037  82.074  1.36238      723.3      6.6      6.1     6.1
   14   0   0   8  41.846  83.693  1.34075      342.8      3.1      2.9     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)