Materials Data on Yb3GeO by Materials Project

Abstract

Yb3GeO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.63 Å. Both Yb–O bond lengths are 2.35 Å. In the second Yb site, Yb is bonded in a distorted linear geometry to four equivalent Ge and two equivalent O atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.55 Å. Both Yb–O bond lengths are 2.35 Å. Ge is bonded to twelve Yb atoms to form distorted GeYb12 cuboctahedra that share corners with twelve equivalent GeYb12 cuboctahedra, faces with six equivalent GeYb12 cuboctahedra, and faces with eight equivalent OYb6 octahedra. O is bonded to six Yb atoms to form OYb6 octahedra that share corners with six equivalent OYb6 octahedra and faces with eight equivalent GeYb12 cuboctahedra. The corner-sharing octahedra tilt angles range from 13–14°.