Materials Data on Mg2SnWO6 by Materials Project
Mg2WSnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mg–O bond distances ranging from 2.01–2.41 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 46–62°. There is four shorter (1.94 Å) and two longer (2.01 Å) W–O bond length. Sn2+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 46–62°. There are a spread of Sn–O bond distances ranging from 2.34–2.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+, one W6+, and one Sn2+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one W6+, and one Sn2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+, one W6+, and one Sn2+ atom.