Materials Data on Cs2SeClF6 by Materials Project

Abstract

(Cs2SeF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Cs2SeF6 framework. In the Cs2SeF6 framework, Cs is bonded to twelve equivalent F atoms to form distorted CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent SeF6 octahedra. All Cs–F bond lengths are 3.49 Å. Se is bonded to six equivalent F atoms to form SeF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Se–F bond lengths are 1.92 Å. F is bonded in a single-bond geometry to four equivalent Cs and one Se atom.