Materials Data on Mn2Zn2O5 by Materials Project

Abstract

Mn2Zn2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Mn3+ is bonded to five O2- atoms to form distorted corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.88–2.08 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.05–2.56 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Mn3+ and four equivalent Zn2+ atoms. In the second O2- site, O2- is bonded to two equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of edge and corner-sharing OMn2Zn2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Mn3+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OMn2Zn2 trigonal pyramids.