Materials Data on BiF5 by Materials Project

Abstract

BiF5 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two BiF5 ribbons oriented in the (0, 0, 1) direction. Bi5+ is bonded to six F1- atoms to form corner-sharing BiF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of Bi–F bond distances ranging from 2.00–2.18 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. 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 single-bond geometry to one Bi5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Bi5+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Bi5+ atoms.