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DOE OSTI · 1759796

Materials Data on NiPdO3 by Materials Project

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Abstract

PdNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd4+ is bonded to twelve equivalent O2- atoms to form PdO12 cuboctahedra that share corners with twelve equivalent PdO12 cuboctahedra, faces with six equivalent PdO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Pd–O bond lengths are 2.61 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent PdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.85 Å. O2- is bonded in a linear geometry to four equivalent Pd4+ and two equivalent Ni2+ atoms.

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36 MATERIALS SCIENCEcrystal structureNi-O-PdNiPdO3

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2020-09-03. Materials Data on NiPdO3 by Materials Project. https://doi.org/10.17188/1759796

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