Materials Data on YWF5 by Materials Project

Abstract

YWF5 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 WF6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. There are a spread of Y–F bond distances ranging from 2.16–2.22 Å. W2+ is bonded to six F1- atoms to form distorted WF6 octahedra that share corners with six equivalent YF6 octahedra and edges with two equivalent WF6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. There are two shorter (2.14 Å) and four longer (2.51 Å) W–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Y3+ and two equivalent W2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to one Y3+ and one W2+ 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 distorted trigonal planar geometry to one Y3+ and two equivalent W2+ atoms. The F–Y bond length is 2.22 Å. Both F–W bond lengths are 2.51 Å.