Ac. Stergiou et al., Crystal structure of non-stoichiometric beta '' K-Ba-Na mixed ferrite K0.30Na0.62Ba0.62Fe10.44Mg0.29O17, SOL ST ION, 136, 2000, pp. 513-517
Crystals of non-stoichiometric K-Na-Ba ferrite, with beta " -alumina struct
ure type and chemical formula K0.30Na0.62Ba0.62Fe10.44Mg0.29O17, were prepa
red by a partial ionic exchange from a K-Na-beta " -ferrite. The ion exchan
ge was performed in a Ba(NO3)(2)-KNO3 eutectic melt at 650 degreesC for 15
min. The study of a single crystal with X-ray diffraction (MoK alpha radiat
ion), resulted in the R (3) over barm space group, with a = b = 5.9436(7) A
ngstrom, c=35.743(7) Angstrom and Z = 3 The structure determination was bas
ed on the beta " -alumina structure model(Na1+xAl11-xMgxO17), where the Na
atom sites are occupied by (Ba, K, Na) and the Al ones by Fe. The investiga
tion on the electron density of the conduction plane (z=1/6) gave trigonal
distribution around the middle position (0,0,1/6) for (K-Na-Ba) atoms. This
distribution can be described by a partial occupation of two sites (18 h)
with coordinates 0.056, 0.028, 1/6 and 0.26, 0.13, 1/6, by (K, Na, Ba) atom
s with a consequent decrement of the site occupation factors. Refinement of
the cation population parameters, and positional and anisotropic thermal p
arameters for all atoms, resulted in the final residual factor R-1 = 0.057.
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