Structural, thermal and optical properties of elpasolite-like (NH4)2KZrF7

Journal of Solid State Chemistry(2019)

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摘要
New fluoride compound (NH4)2KZrF7 with the elpasolite structure (sp. gr. Fm-3m) was synthesized by partial cationic substitution in (NH4)3ZrF7 cryolite. Due to small difference in ionic radii of K+ and NH4+, non-equivalent crystallographic positions 8c and 4b are occupied by both cations. Investigations of thermal, optical and structural properties in a wide range of temperature revealed two phase transitions Fm-3m ↔ P42/ncm ↔ P42/nmc of the first order. The results obtained are discussed in comparison with the data for the previously studied related cryolite (NH4)3ZrF7
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关键词
Phase transition,Structure,Optical properties,Heat capacity,Entropy
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