Materials Data on U2NiSb4 by Materials Project

Abstract

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.