Materials Data on U2S3 by Materials Project

Abstract

U2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded to seven S2- atoms to form a mixture of distorted edge and corner-sharing US7 pentagonal bipyramids. There are a spread of U–S bond distances ranging from 2.74–2.78 Å. In the second U3+ site, U3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.79–3.31 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five U3+ atoms to form a mixture of distorted edge and corner-sharing SU5 square pyramids. In the second S2- site, S2- is bonded to five U3+ atoms to form a mixture of distorted edge and corner-sharing SU5 square pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to five U3+ atoms.