Materials Data on Cs2CuO2 by Materials Project

Cs2CuO2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a linear geometry to two O2- atoms. Both Cs–O bond lengths are 2.64 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.40 Å) and two longer (2.42 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Cs1+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a square co-planar geometry to two equivalent Cs1+ and two equivalent Cu2+ atoms.