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DOE OSTI · 1281832

Materials Data on Sr3ZnIrO6 by Materials Project

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Abstract

Sr3ZnIrO6 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 2.49–2.74 Å. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share faces with two equivalent ZnO6 pentagonal pyramids. All Ir–O bond lengths are 2.04 Å. Zn2+ is bonded to six equivalent O2- atoms to form distorted ZnO6 pentagonal pyramids that share faces with two equivalent IrO6 octahedra. All Zn–O bond lengths are 2.23 Å. O2- is bonded to four equivalent Sr2+, one Ir4+, and one Zn2+ atom to form a mixture of distorted corner, edge, and face-sharing OSr4ZnIr octahedra. The corner-sharing octahedra tilt angles range from 0–66°.

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36 MATERIALS SCIENCEcrystal structureIr-O-Sr-ZnSr3ZnIrO6

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2020-07-14. Materials Data on Sr3ZnIrO6 by Materials Project. https://doi.org/10.17188/1281832

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