Materials Data on Th2S5 by Materials Project

Abstract

Th2S5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten S+1.60- atoms. There are a spread of Th–S bond distances ranging from 2.88–3.15 Å. There are three inequivalent S+1.60- sites. In the first S+1.60- site, S+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ atoms. In the second S+1.60- site, S+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and one S+1.60- atom. The S–S bond length is 2.16 Å. In the third S+1.60- site, S+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ atoms.