Materials Data on YVF5 by Materials Project

Abstract

YVF5 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded to six F1- atoms to form YF6 octahedra that share corners with two equivalent YF6 octahedra and corners with six equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 0–59°. There are a spread of Y–F bond distances ranging from 2.09–2.23 Å. V2+ is bonded to six F1- atoms to form distorted VF6 octahedra that share corners with six equivalent YF6 octahedra and edges with two equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 0–59°. There are two shorter (2.04 Å) and four longer (2.44 Å) V–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to one Y3+ and two equivalent V2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one Y3+ and one V2+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Y3+ atoms. In the fourth F1- site, F1- is bonded in a trigonal planar geometry to one Y3+ and two equivalent V2+ atoms. The F–Y bond length is 2.23 Å. Both F–V bond lengths are 2.44 Å.