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DOE OSTI · 1475839

Materials Data on SmNiO3 by Materials Project

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Abstract

SmNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Sm–O bond lengths are 2.68 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 SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm3+ and two equivalent Ni3+ atoms.

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36 MATERIALS SCIENCEcrystal structureNi-O-SmSmNiO3

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2020-07-20. Materials Data on SmNiO3 by Materials Project. https://doi.org/10.17188/1475839

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