Materials Data on Rb2V(OF2)2 by Materials Project

Abstract

Rb2V(OF2)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to four O and eight F atoms. There are two shorter (3.19 Å) and two longer (3.28 Å) Rb–O bond lengths. There are a spread of Rb–F bond distances ranging from 3.00–3.39 Å. V is bonded in an octahedral geometry to two O and four F atoms. There is one shorter (1.68 Å) and one longer (1.97 Å) V–O bond length. There is two shorter (1.87 Å) and two longer (1.90 Å) V–F bond length. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to four equivalent Rb and one V atom. In the second O site, O is bonded in a single-bond geometry to four equivalent Rb and one V atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to four equivalent Rb and one V atom. In the second F site, F is bonded in a distorted single-bond geometry to four equivalent Rb and one V atom.