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DOE OSTI · 1662837

Materials Data on LuPdO3 by Materials Project

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Abstract

LuPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent O atoms to form LuO12 cuboctahedra that share corners with twelve equivalent LuO12 cuboctahedra, faces with six equivalent LuO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All Lu–O bond lengths are 2.80 Å. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent LuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 1.98 Å. O is bonded to four equivalent Lu and two equivalent Pd atoms to form a mixture of distorted face, edge, and corner-sharing OLu4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

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36 MATERIALS SCIENCEcrystal structureLu-O-PdLuPdO3

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2020-07-23. Materials Data on LuPdO3 by Materials Project. https://doi.org/10.17188/1662837

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