Materials Data on Sr3CuPtO6 by Materials Project

Abstract

Sr3CuPtO6 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 2.48–2.90 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 2.48–2.86 Å. Pt5+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.05 Å) and two longer (2.07 Å) Pt–O bond lengths. Cu1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.02 Å) Cu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Pt5+, and one Cu1+ atom. In the second O2- site, O2- is bonded to four Sr2+ and one Pt5+ atom to form a mixture of distorted corner and edge-sharing OSr4Pt square pyramids. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+, one Pt5+, and one Cu1+ atom.