Materials Data on CdNi by Materials Project

Abstract

NiCd crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent Ni and six equivalent Cd atoms to form face-sharing NiCd6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.45 Å. All Ni–Cd bond lengths are 2.85 Å. In the second Ni site, Ni is bonded in a distorted q6 geometry to six Ni and six equivalent Cd atoms. All Ni–Ni bond lengths are 2.53 Å. There are three shorter (2.80 Å) and three longer (2.85 Å) Ni–Cd bond lengths. Cd is bonded in a 6-coordinate geometry to six Ni and eight equivalent Cd atoms. There are four shorter (2.98 Å) and four longer (3.23 Å) Cd–Cd bond lengths.