6533b86dfe1ef96bd12c9364

RESEARCH PRODUCT

Neutron powder diffraction study in the mixed molecular system (NaCN)1−x(KCN)x

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A detailed structural analysis of (NaCN${)}_{1\mathrm{\ensuremath{-}}\mathrm{x}}$(KCN${)}_{\mathrm{x}}$ mixed crystals with x=0.02, 0.19, and 0.95 was performed by neutron powder diffraction. The structural parameters of the cubic phases were refined, applying a model of preferred orientations. Different noncubic low-temperature phases were observed for x=0.02 and 0.95. For x=0.02 the antiferroelectric ordering of ${\mathrm{CN}}^{\mathrm{\ensuremath{-}}}$ dipoles at low temperatures is accompanied by significant alkali-alkali and alkali-${\mathrm{CN}}^{\mathrm{\ensuremath{-}}}$ sublattice shifts. Structural data are presented together with previous results for mixed crystals with x=0.59 and 0.85 and well-known results for the pure cyanides NaCN and KCN.