Materials Data on La2Cu2O5 by Materials Project

Abstract

La2Cu2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.96 Å. Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.92–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ and two equivalent Cu2+ atoms to form distorted edge-sharing OLa4Cu2 octahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent La3+ and two equivalent Cu2+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Cu2+ atoms.