Materials Data on Mg2SbWO6 by Materials Project

Abstract

Mg2WSbO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.42 Å. W5+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are a spread of W–O bond distances ranging from 1.98–2.07 Å. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 43–55°. There are a spread of Sb–O bond distances ranging from 2.21–2.41 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+, one W5+, and one Sb3+ atom. In the second O2- site, O2- is bonded to two equivalent Mg2+, one W5+, and one Sb3+ atom to form a mixture of distorted edge and corner-sharing OMg2SbW tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one W5+, and one Sb3+ atom.