Materials Data on MnV4(CuO4)3 by Materials Project

Abstract

V4Mn(CuO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. V+4.75+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with two equivalent MnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 38°. All V–O bond lengths are 1.95 Å. Mn2+ is bonded to twelve equivalent O2- atoms to form MnO12 cuboctahedra that share faces with eight equivalent VO6 octahedra. All Mn–O bond lengths are 2.58 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded in a 3-coordinate geometry to two equivalent V+4.75+, one Mn2+, and one Cu1+ atom.