Materials Data on LuNiPb by Materials Project

Abstract

LuNiPb crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to five Ni and six equivalent Pb atoms. There are four shorter (2.96 Å) and one longer (2.99 Å) Lu–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.25 Å) Lu–Pb bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Lu and three equivalent Pb atoms. All Ni–Pb bond lengths are 2.77 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Pb atoms. All Ni–Pb bond lengths are 2.75 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Lu and four Ni atoms.