Materials Data on Lu5Ni2Bi by Materials Project

Abstract

Lu5Ni2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to four equivalent Ni and two equivalent Bi atoms. All Lu–Ni bond lengths are 2.90 Å. Both Lu–Bi bond lengths are 3.46 Å. In the second Lu site, Lu is bonded to three equivalent Ni and two equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing LuNi3Bi2 square pyramids. There are two shorter (2.82 Å) and one longer (2.88 Å) Lu–Ni bond lengths. Both Lu–Bi bond lengths are 3.23 Å. Ni is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. The Ni–Ni bond length is 2.73 Å. Bi is bonded in a 10-coordinate geometry to ten Lu atoms.