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DOE OSTI · 1319459

Materials Data on YNiO3 by Materials Project

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Abstract

YNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Y–O bond lengths are 2.66 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.88 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Ni3+ atoms.

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36 MATERIALS SCIENCEcrystal structureNi-O-YYNiO3

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2020-07-23. Materials Data on YNiO3 by Materials Project. https://doi.org/10.17188/1319459

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