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DOE OSTI · 1268718

Materials Data on K2Sm2IrO7 by Materials Project

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Abstract

K2Sm2IrO7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to six equivalent O atoms. There are three shorter (2.68 Å) and three longer (2.82 Å) K–O bond lengths. Sm is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sm–O bond distances ranging from 2.24–2.66 Å. Ir is bonded in an octahedral geometry to six equivalent O atoms. All Ir–O bond lengths are 1.96 Å. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to two equivalent Sm atoms. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent K, two equivalent Sm, and one Ir atom.

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36 MATERIALS SCIENCEcrystal structureIr-K-O-SmK2Sm2IrO7

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2020-07-18. Materials Data on K2Sm2IrO7 by Materials Project. https://doi.org/10.17188/1268718

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