Materials Data on ZnWF5 by Materials Project

Abstract

WZnF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. W3+ is bonded to six F1- atoms to form corner-sharing WF6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are four shorter (2.11 Å) and two longer (2.14 Å) W–F bond lengths. Zn2+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.92–2.51 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent W3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a distorted linear geometry to one W3+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one W3+ and one Zn2+ atom.