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DOE OSTI2020

Materials Data on URhS3 by Materials Project

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.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on U6Rh2S15 by Materials Project

Rh2U6S15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.73–2.85 Å. Rh3+ is bonded in an octahedral geometry to six equivalent S2- atoms. All Rh–S bond lengths are 2.39 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent U4+ and one Rh3+ atom. In the second S2- site, S2- is bonded in a distorted square co-planar geometry to four equivalent U4+ atoms.

36 MATERIALS SCIENCE↗