Materials Data on Sr3CuRhO6 by Materials Project

Abstract

Sr3CuRhO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.87 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.85 Å. Rh4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Rh–O bond distances ranging from 2.04–2.06 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.98 Å) and two longer (1.99 Å) Cu–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Rh4+, and one Cu2+ atom. In the second O2- site, O2- is bonded to four Sr2+ and one Rh4+ atom to form a mixture of distorted edge and corner-sharing OSr4Rh square pyramids. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Rh4+, and one Cu2+ atom.