Materials Data on Mn2V2PbO10 by Materials Project

Abstract

V2Mn2PbO10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V+4.50+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent PbO6 octahedra and corners with four equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 47–69°. There are a spread of V–O bond distances ranging from 1.67–1.84 Å. Mn+4.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent PbO6 octahedra, corners with four equivalent VO4 tetrahedra, and edges with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Mn–O bond distances ranging from 1.88–2.04 Å. Pb2+ is bonded to six O2- atoms to form distorted PbO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with six equivalent VO4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are four shorter (2.56 Å) and two longer (2.68 Å) Pb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Mn+4.50+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one V+4.50+ and two equivalent Mn+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one V+4.50+, one Mn+4.50+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.50+ and one Pb2+ atom.