Materials Data on MgVBiO6 by Materials Project

Abstract

MgVBiO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Mg2+ is bonded to five O2- atoms to form distorted MgO5 square pyramids that share corners with three equivalent VO4 tetrahedra. There are a spread of Mg–O bond distances ranging from 1.98–2.18 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent MgO5 square pyramids. There are a spread of V–O bond distances ranging from 1.69–1.90 Å. Bi5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.06–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mg2+ and one V5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Bi5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one V5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two equivalent Bi5+ atoms.