Materials Data on Ca3MnZnO6 by Materials Project

Abstract

Ca3ZnMnO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.66 Å. Mn4+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share faces with two equivalent ZnO6 pentagonal pyramids. All Mn–O bond lengths are 1.94 Å. Zn2+ is bonded to six equivalent O2- atoms to form distorted ZnO6 pentagonal pyramids that share faces with two equivalent MnO6 octahedra. All Zn–O bond lengths are 2.18 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Ca2+, one Mn4+, and one Zn2+ atom.