Materials Data on CsReF8 by Materials Project

Abstract

CsReF8 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Cs1+ is bonded to twelve F1- atoms to form distorted edge-sharing CsF12 cuboctahedra. There are four shorter (3.24 Å) and eight longer (3.25 Å) Cs–F bond lengths. Re7+ is bonded in a 8-coordinate geometry to eight F1- atoms. There is four shorter (1.92 Å) and four longer (1.94 Å) Re–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one Re7+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one Re7+ atom.