Materials Data on U3CrSb5 by Materials Project
U3CrSb5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. U4+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.10–3.29 Å. Cr3+ is bonded to six equivalent Sb3- atoms to form face-sharing CrSb6 octahedra. All Cr–Sb bond lengths are 2.79 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to five equivalent U4+ and two equivalent Cr3+ atoms to form a mixture of distorted corner, edge, and face-sharing SbU5Cr2 pentagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to six equivalent U4+ and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 3.06 Å.
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