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DOE OSTI2020

Materials Data on CuRhO2 by Materials Project

CuRhO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent O2- atoms to form edge-sharing RhO6 octahedra. All Rh–O bond lengths are 2.08 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 to three equivalent Rh3+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing OCuRh3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu(RhO2)2 by Materials Project

CuRh2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Rh+3.50+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent RhO6 octahedra. All Rh–O bond lengths are 2.07 Å. Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent RhO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cu–O bond lengths are 2.03 Å. O2- is bonded to three equivalent Rh+3.50+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing OCuRh3 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu(RhO2)2 by Materials Project

CuRh2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Rh+3.50+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent RhO6 octahedra. All Rh–O bond lengths are 2.07 Å. Cu1+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent RhO6 octahedra. The corner-sharing octahedra tilt angles range from 56–63°. All Cu–O bond lengths are 2.03 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Rh+3.50+ and one Cu1+ atom.

36 MATERIALS SCIENCE↗