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

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SYLVITE

15, t-halite, syn, at 600'C, 0.0 kbar, g-halite

KCl


Cubic  F m3m  Z = 4

Fm3m

5 .10 .12

Ref.Str.:

         Walker D., Verma P.K., Cranswick L.M.D., Jones R.L., Clark S.M., Buhre S.

         (2004) * Amer. Mineral., 89, 204-210

         R: sample msl515037.    N.A.D.

                   Initial data from BDM-file 

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

             a =   6.4644   alpha =   90.0 
             b =   6.4644   beta  =   90.0 
             c =   6.4644   gamma =   90.0 

    Unit cell volume (cub. angs.) =   270.14

    Molar volume ( cub.cm/mol.) =    40.68

  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    K     = 1.00
   2 0.5     0.5     0.5      0.0    Cl    = 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     0.5        0.5        0.5   
     3       1     0.5        0.0        0.5   
     4       1     0.5        0.5        0.0   
     5       1     0.0        0.5        0.5   
     6       2     0.0        0.5        0.0   
     7       2     0.0        0.0        0.5   
     8       2     0.5        0.0        0.0   


X-ray density (g/cm cub.)   =      1.83

MU (1/cm) =     229.8      Mass attenuation coefficient (cm**2/g) =    125.405

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

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

    1    K                   3.768        6
                                                 3.2322       2
                                                 3.2322       2
                                                 3.2322       2
                                                 3.2322       2
                                                 3.2322       2
                                                 3.2322       2
    2    Cl                  4.344        0

  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 11.911  23.821   0.134   44.07    8        6.5       20.2
    2   2   0   0 13.787  27.574   0.155   32.38    6      117.3     3660.0
    3   2   2   0 19.696  39.392   0.219   14.94   12      101.6     2534.3
    4   1   1   3 23.278  46.557   0.257   10.27   24        6.5       14.5
    5   2   2   2 24.379  48.758   0.268    9.24    8       91.2      842.5
    6   4   0   0 28.465  56.931   0.309    6.5     6       83.9      375.8
    7   3   3   1 31.292  62.583   0.337    5.26   24        4.9        4.2
    8   4   2   0 32.201  64.401   0.346    4.94   24       78.5     1001.0
    9   2   2   4 35.715  71.429   0.379    3.98   24       74.4      725.5
   10   1   1   5 38.255  76.51    0.402    3.5    24        3.6        1.5
   11   3   3   3 38.255  76.51    0.402    3.5     8        3.6        0.5
   12   4   4   0 42.381  84.762   0.438    3.0    12       68.7      233.3
   13   5   3   1 44.825  89.65    0.458    2.84   48        2.8        1.5


  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   2   0   0  13.787  27.574  3.2322      3660.0    100.0    100.0     5.6
    2   2   2   0  19.696  39.392  2.28551     2534.3     69.2     68.5     5.7
    3   2   2   2  24.379  48.758  1.86611      842.5     23.0     22.6     5.7
    4   4   0   0  28.465  56.931  1.6161       375.8     10.3     10.0     5.8
    5   4   2   0  32.201  64.401  1.44548     1001.0     27.3     26.2     5.9
    6   2   2   4  35.715  71.429  1.31954      725.5     19.8     18.8     5.9
    7   4   4   0  42.381  84.762  1.14276      233.3      6.4      5.9     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)