Materials Data on Sm2S3 by Materials Project

Abstract

Sm2S3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.80–3.10 Å. In the second Sm3+ site, Sm3+ is bonded to seven S2- atoms to form distorted edge-sharing SmS7 pentagonal bipyramids. There are a spread of Sm–S bond distances ranging from 2.80–2.98 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner, edge, and face-sharing SSm5 square pyramids. In the third S2- site, S2- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids.