Materials Data on Yb(CdAs)2 by Materials Project

Abstract

Yb(CdAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent As3- atoms to form YbAs6 octahedra that share corners with twelve equivalent CdAs4 tetrahedra, edges with six equivalent YbAs6 octahedra, and edges with six equivalent CdAs4 tetrahedra. All Yb–As bond lengths are 3.06 Å. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with six equivalent YbAs6 octahedra, corners with six equivalent CdAs4 tetrahedra, edges with three equivalent YbAs6 octahedra, and edges with three equivalent CdAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–57°. There are three shorter (2.73 Å) and one longer (2.90 Å) Cd–As bond lengths. As3- is bonded to three equivalent Yb2+ and four equivalent Cd2+ atoms to form a mixture of distorted edge and corner-sharing AsYb3Cd4 pentagonal bipyramids.