Materials Data on La2CuRhO6 by Materials Project

Abstract

La2CuRhO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.75 Å. Rh4+ is bonded to six O2- atoms to form RhO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 31–32°. All Rh–O bond lengths are 2.05 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 31–32°. There are a spread of Cu–O bond distances ranging from 2.01–2.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Rh4+, and one Cu2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Rh4+, and one Cu2+ atom. In the third O2- site, O2- is bonded to two equivalent La3+, one Rh4+, and one Cu2+ atom to form distorted corner-sharing OLa2CuRh tetrahedra.