Materials Data on BiF5 by Materials Project

Abstract

BiF5 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two BiF5 sheets oriented in the (0, 0, 1) direction. Bi5+ is bonded to eight F1- atoms to form a mixture of edge and corner-sharing BiF8 hexagonal bipyramids. There are a spread of Bi–F bond distances ranging from 2.02–2.38 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Bi5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Bi5+ atoms.