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DOE OSTI · 1690491

Materials Data on U3TiSn5 by Materials Project

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Abstract

U3TiSn5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of U–Sn bond distances ranging from 3.15–3.25 Å. Ti is bonded to six equivalent Sn atoms to form distorted face-sharing TiSn6 octahedra. All Ti–Sn bond lengths are 2.84 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to five equivalent U and two equivalent Ti atoms to form a mixture of distorted face, edge, and corner-sharing SnU5Ti2 pentagonal bipyramids. In the second Sn site, Sn is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å.

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36 MATERIALS SCIENCEcrystal structureSn-Ti-UU3TiSn5

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2020-05-02. Materials Data on U3TiSn5 by Materials Project. https://doi.org/10.17188/1690491

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