Materials Data on Y4CdNi by Materials Project

Abstract

Y4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Y–Ni bond lengths are 2.82 Å. All Y–Cd bond lengths are 3.43 Å. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Y–Ni bond lengths are 2.82 Å. Both Y–Cd bond lengths are 3.49 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Y–Ni bond lengths are 3.48 Å. Both Y–Cd bond lengths are 3.25 Å. Ni is bonded in a 6-coordinate geometry to nine Y atoms. Cd is bonded to nine Y and three equivalent Cd atoms to form a mixture of distorted corner and face-sharing CdY9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.14 Å.