Materials Data on Sr2ZnWO6 by Materials Project

Sr2ZnWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.20 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 16–19°. There is four shorter (1.95 Å) and two longer (1.96 Å) W–O bond length. Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 16–19°. There are four shorter (2.12 Å) and two longer (2.13 Å) Zn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one W6+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one W6+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sr2+, one W6+, and one Zn2+ atom.