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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Rh2O3 by Materials Project

Rh2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Rh3+ is bonded to six O2- atoms to form a mixture of face, edge, and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 48–71°. There are a spread of Rh–O bond distances ranging from 2.02–2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Rh3+ atoms to form a mixture of distorted edge and corner-sharing ORh4 trigonal pyramids. In the second O2- site, O2- is bonded to four equivalent Rh3+ atoms to form a mixture of distorted edge and corner-sharing ORh4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rh2O3 by Materials Project

Rh2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent O2- atoms to form a mixture of face, edge, and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 47–61°. There are three shorter (2.06 Å) and three longer (2.10 Å) Rh–O bond lengths. O2- is bonded to four equivalent Rh3+ atoms to form a mixture of distorted edge and corner-sharing ORh4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RhO2 by Materials Project

RhO2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There is two shorter (1.98 Å) and four longer (2.00 Å) Rh–O bond length. O2- is bonded in a trigonal planar geometry to three equivalent Rh4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rh2O3 by Materials Project

Rh2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 46–64°. There are a spread of Rh–O bond distances ranging from 2.04–2.09 Å. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of corner, edge, and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Rh–O bond distances ranging from 2.05–2.17 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 trigonal pyramids. In the second O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 trigonal pyramids. In the third O2- site, O2- is bonded to four Rh3+ atoms to form a mixture of distorted corner and edge-sharing ORh4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rh2O3 by Materials Project

Rh2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 12–61°. There are a spread of Rh–O bond distances ranging from 1.98–2.24 Å. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 12–61°. There are a spread of Rh–O bond distances ranging from 1.99–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Rh3+ atoms to form distorted ORh4 tetrahedra that share corners with seven equivalent ORh5 square pyramids, corners with two equivalent ORh4 tetrahedra, an edgeedge with one ORh5 square pyramid, and edges with two equivalent ORh4 tetrahedra. In the second O2- site, O2- is bonded to five Rh3+ atoms to form distorted ORh5 square pyramids that share corners with seven equivalent ORh4 tetrahedra, edges with four equivalent ORh5 square pyramids, and an edgeedge with one ORh4 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Rh3+ atoms.

36 MATERIALS SCIENCE↗