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DOE OSTI · 1676578

Materials Data on Sr3InNiO6 by Materials Project

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Abstract

Sr3NiInO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.72 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share faces with two equivalent InO6 pentagonal pyramids. All Ni–O bond lengths are 2.05 Å. In3+ is bonded to six equivalent O2- atoms to form distorted InO6 pentagonal pyramids that share faces with two equivalent NiO6 octahedra. All In–O bond lengths are 2.24 Å. O2- is bonded to four equivalent Sr2+, one Ni3+, and one In3+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4InNi octahedra. The corner-sharing octahedra tilt angles range from 0–65°.

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36 MATERIALS SCIENCEcrystal structureIn-Ni-O-SrSr3InNiO6

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2020-05-03. Materials Data on Sr3InNiO6 by Materials Project. https://doi.org/10.17188/1676578

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