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DOE OSTI · 1681450

Materials Data on LiCa3OsO6 by Materials Project

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Abstract

LiCa3OsO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form distorted LiO6 pentagonal pyramids that share faces with two equivalent OsO6 octahedra. All Li–O bond lengths are 2.24 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.34–2.75 Å. Os5+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share faces with two equivalent LiO6 pentagonal pyramids. All Os–O bond lengths are 1.99 Å. O2- is bonded in a 6-coordinate geometry to one Li1+, four equivalent Ca2+, and one Os5+ atom.

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36 MATERIALS SCIENCECa-Li-O-Oscrystal structureLiCa3OsO6

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2020-05-09. Materials Data on LiCa3OsO6 by Materials Project. https://doi.org/10.17188/1681450

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