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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STANNITE

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

(Cu,Zn,Fe)(2)(Fe,Zn,Cu)SnS(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 =   5.446    alpha =   90.0 
             b =   5.446    beta  =   90.0 
             c =  10.757    gamma =   90.0 

    Unit cell volume (cub. angs.) =   319.04

    Molar volume ( cub.cm/mol.) =    96.09

  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    = 0.96, Zn    = 0.03, Fe    = 0.01
   2 0.0     0.0     0.0      0.0    Fe    = 0.78, Zn    = 0.14, Cu    = 0.08
   3 0.0     0.0     0.5      0.0    Sn    = 1.00
   4 0.7553  0.7553  0.8703   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     0.7553     0.7553     0.8703
     5       1     0.5        0.0        0.75  
     6       4     0.7553     0.2447     0.1297
     7       4     0.2447     0.2447     0.8703
     8       4     0.2447     0.7553     0.1297
     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     0.7447     0.7447     0.3703
    14       4     0.7447     0.2553     0.6297
    15       4     0.2553     0.2553     0.3703
    16       4     0.2553     0.7447     0.6297


X-ray density (g/cm cub.)   =      4.49

MU (1/cm) =     774.654    Mass attenuation coefficient (cm**2/g) =    172.408

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

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

    1   Cu   ,Zn   ,Fe       3.36         4
                                                 2.3201       4
                                                 2.3201       4
                                                 2.3201       4
                                                 2.3201       4
    2   Fe   ,Zn   ,Cu       3.36         4
                                                 2.3451       4
                                                 2.3451       4
                                                 2.3451       4
                                                 2.3451       4
    3    Sn                  3.408        4
                                                 2.411        4
                                                 2.411        4
                                                 2.411        4
                                                 2.411        4
    4    S                   4.368       12
                                                 3.8592       4
                                                 3.9395       4
                                                 3.7696       4
                                                 3.8518       4
                                                 3.8518       4
                                                 3.9322       4
                                                 3.8592       4
                                                 3.9395       4
                                                 3.7569       4
                                                 3.7569       4
                                                 3.7569       4
                                                 3.7569       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  9.573  19.146   0.093   69.39    2       25.3       87.6
    2   1   0   1 10.608  21.216   0.103   56.11    8       40.8      735.1
    3   1   1   0 13.431  26.862   0.13    34.22    4       28.6      110.1
    4   1   1   2 16.599  33.198   0.16    21.74    8      254.7    11084.7
    5   1   0   3 17.378  34.755   0.167   19.68    8       42.6      280.7
    6   2   0   0 19.177  38.353   0.184   15.85    4      136.0     1152.1
    7   0   0   4 19.427  38.854   0.186   15.4     2      136.3      562.4
    8   2   0   2 21.604  43.207   0.206   12.15    8       26.4       66.5
    9   2   1   1 22.12   44.24    0.21    11.52   16       40.2      292.1
   10   1   1   4 23.934  47.868   0.227    9.64    8       21.7       35.6
   11   2   1   3 26.357  52.714   0.248    7.74   16       34.3      143.5
   12   1   0   5 26.553  53.106   0.25     7.61    8       37.7       85.0
   13   2   2   0 27.681  55.362   0.26     6.92    4      284.9     2207.9
   14   2   0   4 27.87   55.74    0.261    6.82    8      283.8     4315.3
   15   2   2   2 29.565  59.131   0.276    5.97    8       11.1        5.8
   16   0   0   6 29.928  59.856   0.279    5.8     2       28.6        9.4
   17   3   0   1 29.98   59.959   0.279    5.78    8       39.9       72.5
   18   3   1   0 31.291  62.581   0.29     5.26    8       14.3        8.5
   19   3   1   2 33.049  66.098   0.305    4.67   16      207.7     3166.8
   20   1   1   6 33.389  66.779   0.308    4.57    8      206.7     1533.7
   21   3   0   3 33.523  67.046   0.309    4.53    8       28.2       28.3
   22   2   1   5 33.692  67.385   0.31     4.48   16       32.4       74.0
   23   2   2   4 34.844  69.687   0.319    4.18    8      121.9      488.8
   24   2   0   6 36.679  73.359   0.334    3.78    8        0.1        0.0
   25   3   2   1 36.726  73.452   0.334    3.77   16       28.2       47.1
   26   1   0   7 37.214  74.427   0.338    3.68    8       30.6       27.1
   27   3   1   4 38.079  76.158   0.345    3.53   16       14.1       11.1
   28   3   2   3 39.984  79.969   0.359    3.26   16       36.9       69.6
   29   3   0   5 40.143  80.286   0.36     3.24    8       27.8       19.6
   30   4   0   0 41.069  82.138   0.367    3.13    4      243.5      729.4
   31   0   0   8 41.699  83.397   0.372    3.07    2      240.7      349.0
   32   4   0   2 42.663  85.327   0.379    2.98    8        6.2        0.9
   33   2   2   6 42.976  85.953   0.381    2.96    8       21.2       10.5
   34   4   1   1 43.021  86.043   0.381    2.95   16       30.1       42.2
   35   2   1   7 43.491  86.981   0.385    2.92   16       32.7       49.0
   36   3   3   0 44.172  88.345   0.39     2.87    4       10.2        1.2
   37   1   1   8 44.797  89.594   0.394    2.84    8       17.6        6.9


  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  10.608  21.216  4.85879      735.1      6.6      6.7     5.6
    2   1   1   2  16.599  33.198  3.1311     11084.7    100.0    100.0     5.6
    3   1   0   3  17.378  34.755  2.99483      280.7      2.5      2.5     5.7
    4   2   0   0  19.177  38.353  2.723       1152.1     10.4     10.3     5.7
    5   0   0   4  19.427  38.854  2.68925      562.4      5.1      5.0     5.7
    6   2   1   1  22.12   44.24   2.3754       292.1      2.6      2.6     5.7
    7   2   1   3  26.357  52.714  2.01471      143.5      1.3      1.3     5.8
    8   2   2   0  27.681  55.362  1.92545     2207.9     19.9     19.4     5.8
    9   2   0   4  27.87   55.74   1.91341     4315.3     38.9     38.0     5.8
   10   3   1   2  33.049  66.098  1.64015     3166.8     28.6     27.4     5.9
   11   1   1   6  33.389  66.779  1.62532     1533.7     13.8     13.3     5.9
   12   2   2   4  34.844  69.687  1.56555      488.8      4.4      4.2     5.9
   13   4   0   0  41.069  82.138  1.3615       729.4      6.6      6.1     6.1
   14   0   0   8  41.699  83.397  1.34462      349.0      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)