Materials Data on Zn2Sn3O8 by Materials Project

Abstract

Zn2Sn3O8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 2.00–2.24 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are two shorter (2.07 Å) and four longer (2.12 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form edge-sharing SnO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.06–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sn4+ atoms. In the third O2- site, O2- is bonded to two equivalent Zn2+ and two Sn4+ atoms to form a mixture of distorted corner and edge-sharing OZn2Sn2 trigonal pyramids.