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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KCuO by Materials Project

KCuO crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.73 Å) and two longer (2.79 Å) K–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.84 Å. O2- is bonded to four equivalent K1+ and two equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing OK4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–12°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KCuO by Materials Project

KCuO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Cu1+ and four equivalent O2- atoms to form distorted KCu6O4 tetrahedra that share corners with four equivalent CuK6O4 tetrahedra, corners with six equivalent KCu6O4 tetrahedra, edges with six equivalent CuK6O4 tetrahedra, and faces with twelve equivalent KCu6O4 tetrahedra. All K–Cu bond lengths are 2.94 Å. All K–O bond lengths are 2.54 Å. Cu1+ is bonded to six equivalent K1+ and four equivalent O2- atoms to form distorted CuK6O4 tetrahedra that share corners with four equivalent KCu6O4 tetrahedra, corners with six equivalent CuK6O4 tetrahedra, edges with six equivalent KCu6O4 tetrahedra, and faces with twelve equivalent CuK6O4 tetrahedra. All Cu–O bond lengths are 2.54 Å. O2- is bonded in a body-centered cubic geometry to four equivalent K1+ and four equivalent Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KCuO by Materials Project

KCuO crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are three shorter (2.75 Å) and one longer (2.85 Å) K–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.84 Å. O2- is bonded to four equivalent K1+ and two equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing OK4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 1–13°.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Potassium cuprate (3)

The reaction of KO2 and CuO in an O2 atmosphere at 400 to 450 C results in KCuO, which is a steel-blue and nonmagnetic compound. This substance exhibits a characteristic X-ray diagram; it decomposes in dilute acids to form O2 and Cu(II) salts. It decomposes thermally above 500 C.

Wahl, Kurt↗