Materials Data on Th2Se3 by Materials Project

Abstract

Th2Se3 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 to seven Se atoms to form a mixture of distorted edge and corner-sharing ThSe7 pentagonal bipyramids. There are a spread of Th–Se bond distances ranging from 2.97–3.02 Å. In the second Th site, Th is bonded in a 7-coordinate geometry to eight Se atoms. There are a spread of Th–Se bond distances ranging from 2.98–3.60 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded to five Th atoms to form a mixture of distorted edge and corner-sharing SeTh5 trigonal bipyramids. In the second Se site, Se is bonded to five Th atoms to form a mixture of edge and corner-sharing SeTh5 square pyramids. In the third Se site, Se is bonded in a distorted rectangular see-saw-like geometry to five Th atoms.