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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U5CrSb3 by Materials Project

U5CrSb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded to two equivalent Cr and five equivalent Sb atoms to form a mixture of distorted corner, edge, and face-sharing UCr2Sb5 pentagonal bipyramids. Both U–Cr bond lengths are 2.67 Å. There are a spread of U–Sb bond distances ranging from 3.11–3.34 Å. In the second U site, U is bonded in a 8-coordinate geometry to two equivalent U and six equivalent Sb atoms. Both U–U bond lengths are 2.93 Å. All U–Sb bond lengths are 3.18 Å. Cr is bonded to six equivalent U atoms to form face-sharing CrU6 octahedra. Sb is bonded in a 9-coordinate geometry to nine U atoms.

36 MATERIALS SCIENCE↗