Abstract

The crystal structures of two phases of K2ZnGeO4have been refined by the Rietveld method using neutron powder diffraction data, at 298 K (αform) and 1153 K (βform), toRB=4.8 and 7.3%, respectively.α-K2ZnGeO4is orthorhombic,a=11.1131(4) Å,b=5.5369(2) Å,c=15.8629(5) Å, space groupPca21, andZ=8.β-K2ZnGeO4is cubic,a=8.0254(5) Å, space groupF43m, andZ=4. Phase transition betweenαandβforms occurs at 1049 K. Both phases are stuffed cristobalites and correspond to a distortion of the ideal cristobalite structure. Neutron diffraction data show an ordered and alternating arrangement of ZnO4and GeO4tetrahedra inα-K2ZnGeO4. Theβphase shows a static or dynamic superposition of short-range ordered clusters analogous to SiO2cristobalite.

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