Materials Data on U12FeNi by Materials Project

Abstract

U12FeNi crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a distorted T-shaped geometry to thirteen U atoms. There are a spread of U–U bond distances ranging from 2.70–3.34 Å. In the second U site, U is bonded in a 4-coordinate geometry to five U, one Fe, and one Ni atom. The U–U bond length is 2.57 Å. The U–Fe bond length is 2.77 Å. The U–Ni bond length is 2.79 Å. Fe is bonded in a distorted q6 geometry to eight equivalent U and two equivalent Ni atoms. Both Fe–Ni bond lengths are 2.60 Å. Ni is bonded in a distorted q6 geometry to eight equivalent U and two equivalent Fe atoms.