Materials Data on NdMn3V4O12 by Materials Project

Abstract

NdV4Mn3O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share faces with eight equivalent VO6 octahedra. All Nd–O bond lengths are 2.66 Å. V+3.75+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with two equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 34°. All V–O bond lengths are 1.98 Å. Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.10 Å. O2- is bonded in a 3-coordinate geometry to one Nd3+, two equivalent V+3.75+, and one Mn2+ atom.