Materials Data on Bi2WO8 by Materials Project

Abstract

WBi2O8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.31 Å. There are two inequivalent Bi5+ sites. In the first Bi5+ site, Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.30 Å. In the second Bi5+ site, Bi5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.26 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two Bi5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to two Bi5+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one W6+ and two Bi5+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to two Bi5+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two Bi5+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to one W6+ and one Bi5+ atom.