DOI: 10.17188/1715731
title: Materials Data on Sr2ZnWO6 by Materials Project

description: Sr2ZnWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.02 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–3.03 Å. In the third Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–3.05 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.85 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–20°. There is one shorter (1.95 Å) and five longer (1.96 Å) W–O bond length. In the second W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 18–20°. All W–O bond lengths are 1.96 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–20°. There are a spread of Zn–O bond distances ranging from 2.12–2.14 Å. In the second Zn2+ site, Zn2+ is bonded to six O2- atoms to form ZnO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–20°. There are one shorter (2.12 Å) and five longer (2.13 Å) Zn–O bond lengths. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the sixth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the seventh O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the eighth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, one W6+, and one Zn2+ atom. In the tenth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to three Sr2+, one W6+, and one Zn2+ atom.