Materials Data on Mg2W2O5 by Materials Project

Abstract

Mg2W2O5 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form distorted corner-sharing MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 1.94–2.10 Å. In the second Mg2+ site, Mg2+ is bonded to four O2- atoms to form distorted corner-sharing MgO4 trigonal pyramids. There are a spread of Mg–O bond distances ranging from 1.96–2.10 Å. There are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.97–2.15 Å. In the second W3+ site, W3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.96–2.12 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two W3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mg2+ and one W3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mg2+ and one W3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent W3+ atoms to form distorted corner-sharing OMg2W2 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent W3+ atoms to form distorted corner-sharing OMg2W2 tetrahedra.