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DOE OSTI · 1299793

Materials Data on HoLuO3 by Materials Project

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Abstract

LuHoO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Lu–O bond distances ranging from 2.17–2.25 Å. Ho3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.21–2.66 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Ho3+ atoms to form distorted corner-sharing OHo2Lu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Lu3+ and two equivalent Ho3+ atoms.

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36 MATERIALS SCIENCEcrystal structureHo-Lu-OHoLuO3

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2020-05-01. Materials Data on HoLuO3 by Materials Project. https://doi.org/10.17188/1299793

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