Materials Data on Sr2YbTaO6 by Materials Project
Sr2YbTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–3.20 Å. Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 14–24°. There are a spread of Yb–O bond distances ranging from 2.24–2.30 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent YbO6 octahedra. The corner-sharing octahedra tilt angles range from 14–24°. There are a spread of Ta–O bond distances ranging from 1.94–2.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Ta5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Sr2+, one Yb3+, and one Ta5+ atom.