Materials Data on U3TiSb5 by Materials Project
U3TiSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U+3.67+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.14–3.27 Å. Ti4+ is bonded to six equivalent Sb3- atoms to form face-sharing TiSb6 octahedra. All Ti–Sb bond lengths are 2.84 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six equivalent U+3.67+ and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 3.06 Å. In the second Sb3- site, Sb3- is bonded to five equivalent U+3.67+ and two equivalent Ti4+ atoms to form a mixture of distorted corner, edge, and face-sharing SbU5Ti2 pentagonal bipyramids.
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