Materials Data on Cd3Os by Materials Project

Abstract

OsCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os is bonded to twelve equivalent Cd atoms to form OsCd12 cuboctahedra that share corners with six equivalent OsCd12 cuboctahedra, corners with twelve equivalent CdCd8Os4 cuboctahedra, edges with eighteen equivalent CdCd8Os4 cuboctahedra, faces with eight equivalent OsCd12 cuboctahedra, and faces with twelve equivalent CdCd8Os4 cuboctahedra. There are six shorter (2.95 Å) and six longer (2.99 Å) Os–Cd bond lengths. Cd is bonded to four equivalent Os and eight equivalent Cd atoms to form distorted CdCd8Os4 cuboctahedra that share corners with four equivalent OsCd12 cuboctahedra, corners with fourteen equivalent CdCd8Os4 cuboctahedra, edges with six equivalent OsCd12 cuboctahedra, edges with twelve equivalent CdCd8Os4 cuboctahedra, faces with four equivalent OsCd12 cuboctahedra, and faces with sixteen equivalent CdCd8Os4 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.89–3.10 Å.