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Materials Data on HoRhO3 by Materials Project

HoRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.72 Å. Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 40–45°. There are a spread of Rh–O bond distances ranging from 2.07–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ho3+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded to two equivalent Ho3+ and two equivalent Rh3+ atoms to form distorted corner-sharing OHo2Rh2 trigonal pyramids.

36 MATERIALS SCIENCE↗

Materials Data on HoRhO3 by Materials Project

HoRhO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho3+ is bonded to twelve equivalent O2- atoms to form HoO12 cuboctahedra that share corners with twelve equivalent HoO12 cuboctahedra, faces with six equivalent HoO12 cuboctahedra, and faces with eight equivalent RhO6 octahedra. All Ho–O bond lengths are 2.78 Å. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent RhO6 octahedra and faces with eight equivalent HoO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rh–O bond lengths are 1.97 Å. O2- is bonded to four equivalent Ho3+ and two equivalent Rh3+ atoms to form a mixture of distorted edge, corner, and face-sharing OHo4Rh2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗