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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsCuO by Materials Project

CsCuO crystallizes in the orthorhombic Ama2 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. There are a spread of Cs–O bond distances ranging from 3.09–3.20 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.84 Å. O2- is bonded in a distorted L-shaped geometry to four equivalent Cs1+ and two equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsCu3O2 by Materials Project

CsCu3O2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent O2- atoms to form edge-sharing CsO6 octahedra. All Cs–O bond lengths are 3.45 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. O2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsCuO2 by Materials Project

CsCuO2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.98 Å) and four longer (3.17 Å) Cs–O bond lengths. Cu3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There is two shorter (1.84 Å) and two longer (1.85 Å) Cu–O bond length. O2- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent Cu3+ atoms.

36 MATERIALS SCIENCE↗