Materials Data on WF5 by Materials Project

Abstract

WF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two WF5 sheets oriented in the (0, 0, 1) direction. W5+ is bonded to eight F1- atoms to form a mixture of edge and corner-sharing WF8 hexagonal bipyramids. There are a spread of W–F bond distances ranging from 1.91–2.21 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent W5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one W5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent W5+ atoms.