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DOE OSTI · 1193007

Materials Data on Sr3ScRhO6 by Materials Project

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Abstract

Sr3ScRhO6 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 2.49–2.73 Å. Sc3+ is bonded to six equivalent O2- atoms to form distorted ScO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. All Sc–O bond lengths are 2.17 Å. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share faces with two equivalent ScO6 pentagonal pyramids. All Rh–O bond lengths are 2.09 Å. O2- is bonded to four equivalent Sr2+, one Sc3+, and one Rh3+ atom to form a mixture of distorted edge, corner, and face-sharing OSr4ScRh octahedra. The corner-sharing octahedra tilt angles range from 0–67°.

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36 MATERIALS SCIENCEcrystal structureO-Rh-Sc-SrSr3ScRhO6

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2020-07-17. Materials Data on Sr3ScRhO6 by Materials Project. https://doi.org/10.17188/1193007

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