Materials Data on Cs2Sn2O3 by Materials Project

Abstract

Cs2Sn2O3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Cs2Sn2O3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.10–3.44 Å. In the second Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (3.04 Å) and one longer (3.15 Å) Cs–O bond lengths. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.08 Å) and two longer (2.09 Å) Sn–O bond lengths. In the second Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. All Sn–O bond lengths are 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Cs1+ and two Sn2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Cs1+ and two Sn2+ atoms.