Materials Data on Sr2YbBiO6 by Materials Project

Abstract

Sr2YbBiO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–3.13 Å. Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 29–34°. There are a spread of Yb–O bond distances ranging from 2.28–2.31 Å. Bi5+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with six equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–34°. There are two shorter (2.13 Å) and four longer (2.14 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Yb3+, and one Bi5+ atom to form distorted corner-sharing OSr2YbBi tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Bi5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Bi5+ atom.