Materials Data on Ca2LaSbO6 by Materials Project
Ca2LaSbO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–3.04 Å. La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–41°. There are a spread of La–O bond distances ranging from 2.37–2.41 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent LaO6 octahedra. The corner-sharing octahedra tilt angles range from 37–41°. There are a spread of Sb–O bond distances ranging from 2.01–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Ca2+, one La3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Ca2+, one La3+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Ca2+, one La3+, and one Sb5+ atom.