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DOE OSTI · 1732446

Materials Data on La2CoNiO6 by Materials Project

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Abstract

La2CoNiO6 is Orthorhombic Perovskite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine equivalent O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.79 Å. Co4+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 21°. All Co–O bond lengths are 1.90 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 21°. All Ni–O bond lengths are 2.05 Å. O2- is bonded in a 5-coordinate geometry to three equivalent La3+, one Co4+, and one Ni2+ atom.

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36 MATERIALS SCIENCECo-La-Ni-Ocrystal structureLa2CoNiO6

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2020-06-04. Materials Data on La2CoNiO6 by Materials Project. https://doi.org/10.17188/1732446

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