Materials Data on Na3Mn2V3O12 by Materials Project

Abstract

Na3V3Mn2O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.50 Å) and four longer (2.59 Å) Na–O bond lengths. V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–O bond lengths are 1.75 Å. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent VO4 tetrahedra. All Mn–O bond lengths are 2.05 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one V5+, and one Mn3+ atom.