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DOE OSTI · 1195099

Materials Data on UMnSe3 by Materials Project

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Abstract

UMnSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of U–Se bond distances ranging from 2.90–3.25 Å. Mn2+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing MnSe6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are two shorter (2.44 Å) and four longer (2.48 Å) Mn–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent U4+ and two equivalent Mn2+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent U4+ and two equivalent Mn2+ atoms.

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36 MATERIALS SCIENCEcrystal structureMn-Se-UUMnSe3

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2020-07-16. Materials Data on UMnSe3 by Materials Project. https://doi.org/10.17188/1195099

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