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DOE OSTI2020

Materials Data on U3Ni3Sb4 by Materials Project

U3Ni3Sb4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. U3+ is bonded in a 8-coordinate geometry to eight equivalent Sb3- atoms. There are four shorter (3.24 Å) and four longer (3.26 Å) U–Sb bond lengths. Ni1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. All Ni–Sb bond lengths are 2.63 Å. Sb3- is bonded in a 9-coordinate geometry to six equivalent U3+ and three equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on U2NiSb4 by Materials Project

U2NiSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. U5+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.15–3.38 Å. Ni2+ is bonded to four equivalent Sb3- atoms to form corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.55 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.07 Å. In the second Sb3- site, Sb3- is bonded in a 7-coordinate geometry to five equivalent U5+ and two equivalent Ni2+ atoms.

36 MATERIALS SCIENCE↗