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DOE OSTI · 1313234

Materials Data on Sr3MgIrO6 by Materials Project

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Abstract

Sr3MgIrO6 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 2.49–2.75 Å. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 pentagonal pyramids that share faces with two equivalent IrO6 octahedra. All Mg–O bond lengths are 2.19 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share faces with two equivalent MgO6 pentagonal pyramids. All Ir–O bond lengths are 2.04 Å. O2- is bonded to four equivalent Sr2+, one Mg2+, and one Ir4+ atom to form a mixture of distorted corner, edge, and face-sharing OSr4MgIr octahedra. The corner-sharing octahedra tilt angles range from 0–66°.

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36 MATERIALS SCIENCEcrystal structureIr-Mg-O-SrSr3MgIrO6

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2020-05-02. Materials Data on Sr3MgIrO6 by Materials Project. https://doi.org/10.17188/1313234

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