Materials Data on Nd4CdNi by Materials Project

Abstract

Nd4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Nd–Ni bond lengths are 2.86 Å. All Nd–Cd bond lengths are 3.55 Å. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Nd–Ni bond lengths are 2.86 Å. Both Nd–Cd bond lengths are 3.56 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Nd–Ni bond lengths are 3.57 Å. Both Nd–Cd bond lengths are 3.36 Å. Ni is bonded in a 6-coordinate geometry to nine Nd atoms. Cd is bonded to nine Nd and three equivalent Cd atoms to form a mixture of corner and face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.11 Å.