Materials Data on Th2S3 by Materials Project
Th2S3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 7-coordinate geometry to eight S atoms. There are a spread of Th–S bond distances ranging from 2.87–3.48 Å. In the second Th site, Th is bonded to seven S atoms to form a mixture of distorted edge and corner-sharing ThS7 pentagonal bipyramids. There are a spread of Th–S bond distances ranging from 2.85–2.90 Å. There are three inequivalent S sites. In the first S site, S is bonded to five Th atoms to form a mixture of edge and corner-sharing STh5 square pyramids. In the second S site, S is bonded to five Th atoms to form a mixture of distorted edge and corner-sharing STh5 trigonal bipyramids. In the third S site, S is bonded in a distorted rectangular see-saw-like geometry to five Th atoms.