Materials Data on MnVPbO5 by Materials Project

Abstract

VMnPbO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 45–57°. There are a spread of V–O bond distances ranging from 1.68–1.80 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent VO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are two shorter (1.90 Å) and four longer (2.17 Å) Mn–O bond lengths. Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–3.20 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, two equivalent Mn3+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ and three equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one V5+, one Mn3+, and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn3+ and one Pb2+ atom.