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Journal of Structural Chemistry

2016 year, number 6

A high-temperature cubic phase of tetramethylammonium hexafluoridozirconate (N(CH3)4)2[ZrF6]

A.V. Gerasimenko, K.A. Gaivoronskaya, R.L. Davidovich, N.A. Didenko
Institute of Chemistry, Far East Branch, Russian Academy of Sciences, Vladivostok, 690022 Russia
Keywords: кристаллическая структура, комплексный фторид, цирконий, полиморфная модификация, фазовый переход, crystal structure, complex fluoride, zirconium, polymorph, phase transition

Abstract

By single crystal X-ray diffraction and differential thermal analyses tetramethylammonium hexafluoridozirconate (N(CH3)4)2[ZrF6] is studied. In the temperature range 96-110 C the crystals undergo a reversible phase transition from the low-temperature trigonal modification (space group R ) to the high-temperature cubic one (space group Fmm ). The cubic phase is composed of regular [ZrF6]2- octahedra and tetrahedral (CH3)4N+ cations bound by ionic interactions and С-H⋯F hydrogen bonds.