Materials Data on Sn3O8 by Materials Project

Abstract

Sn3O8 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six O atoms to form a mixture of corner and edge-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 39–51°. There are a spread of Sn–O bond distances ranging from 2.04–2.14 Å. In the second Sn site, Sn is bonded to six O atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 39–51°. There are four shorter (2.05 Å) and two longer (2.11 Å) Sn–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Sn atoms. In the second O site, O is bonded in a trigonal planar geometry to three Sn atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Sn atoms.