Materials Data on URhS3 by Materials Project

Abstract

URhS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.66–2.93 Å. Rh3+ is bonded to six S2- atoms to form corner-sharing RhS6 octahedra. The corner-sharing octahedra tilt angles range from 42–54°. There are a spread of Rh–S bond distances ranging from 2.37–2.51 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent U3+ and two equivalent Rh3+ atoms. In the second S2- site, S2- is bonded in a distorted see-saw-like geometry to two equivalent U3+ and two equivalent Rh3+ atoms.