Materials Data on Mn3WO6 by Materials Project

Abstract

WMn3O6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All W–O bond lengths are 1.96 Å. In the second W6+ site, W6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All W–O bond lengths are 1.96 Å. Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mn–O bond distances ranging from 2.12–2.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one W6+ and three equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3W trigonal pyramids. In the second O2- site, O2- is bonded to one W6+ and three equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing OMn3W tetrahedra.