Materials Data on Cs3Yb by Materials Project

Abstract

Cs3Yb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs is bonded to eight equivalent Cs and four equivalent Yb atoms to form distorted CsCs8Yb4 cuboctahedra that share corners with four equivalent YbCs12 cuboctahedra, corners with fourteen equivalent CsCs8Yb4 cuboctahedra, edges with six equivalent YbCs12 cuboctahedra, edges with twelve equivalent CsCs8Yb4 cuboctahedra, faces with four equivalent YbCs12 cuboctahedra, and faces with sixteen equivalent CsCs8Yb4 cuboctahedra. There are a spread of Cs–Cs bond distances ranging from 4.85–5.28 Å. There are two shorter (4.94 Å) and two longer (5.07 Å) Cs–Yb bond lengths. Yb is bonded to twelve equivalent Cs atoms to form distorted YbCs12 cuboctahedra that share corners with six equivalent YbCs12 cuboctahedra, corners with twelve equivalent CsCs8Yb4 cuboctahedra, edges with eighteen equivalent CsCs8Yb4 cuboctahedra, faces with eight equivalent YbCs12 cuboctahedra, and faces with twelve equivalent CsCs8Yb4 cuboctahedra.