Materials Data on SrLaCuSbO6 by Materials Project

Abstract

SrLaCuSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.46–3.10 Å. La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.65 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 22–32°. There are a spread of Cu–O bond distances ranging from 2.00–2.49 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 22–32°. There are a spread of Sb–O bond distances ranging from 1.98–2.04 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one La3+, one Cu2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one La3+, one Cu2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one La3+, one Cu2+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Cu2+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one La3+, one Cu2+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Sr2+, one La3+, one Cu2+, and one Sb5+ atom.