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DOE OSTI · 1196383

Materials Data on UPdSe3 by Materials Project

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Abstract

UPdSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of U–Se bond distances ranging from 2.80–3.09 Å. Pd2+ is bonded to six Se2- atoms to form corner-sharing PdSe6 octahedra. The corner-sharing octahedra tilt angles range from 44–60°. There are a spread of Pd–Se bond distances ranging from 2.55–2.89 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent U4+ and two equivalent Pd2+ atoms. In the second Se2- site, Se2- is bonded in a distorted see-saw-like geometry to two equivalent U4+ and two equivalent Pd2+ atoms.

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36 MATERIALS SCIENCEcrystal structurePd-Se-UUPdSe3

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2020-07-15. Materials Data on UPdSe3 by Materials Project. https://doi.org/10.17188/1196383

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