Materials Data on BiB2O5 by Materials Project

Abstract

B2BiO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.37 Å) and one longer (1.38 Å) B–O bond length. Bi is bonded to eight O atoms to form distorted edge-sharing BiO8 hexagonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.30–2.60 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one B and two equivalent Bi atoms. In the second O site, O is bonded in a distorted single-bond geometry to one B and two equivalent Bi atoms. In the third O site, O is bonded in a distorted single-bond geometry to one B and two equivalent Bi atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to one B and two equivalent Bi atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two B atoms.