Materials Data on Cu8O by Materials Project

Abstract

Cu8O crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 11-coordinate geometry to eleven Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.50–2.72 Å. In the second Cu site, Cu is bonded in a single-bond geometry to two equivalent Cu and one O atom. The Cu–O bond length is 1.93 Å. In the third Cu site, Cu is bonded in a single-bond geometry to four equivalent Cu and one O atom. The Cu–O bond length is 2.05 Å. In the fourth Cu site, Cu is bonded in a single-bond geometry to four equivalent Cu and one O atom. The Cu–O bond length is 2.06 Å. O is bonded in an octahedral geometry to six Cu atoms.