Materials Data on Y(CuO2)2 by Materials Project

Abstract

(CuO2)(Y)(CuO2) crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.39–2.41 Å. There are two inequivalent Cu+2.50+ sites. In the first Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.92 Å) Cu–O bond length. In the second Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two Cu+2.50+ atoms to form a mixture of distorted corner and edge-sharing OY2Cu2 tetrahedra.