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DOE OSTI · 1728834

Materials Data on La(Sb3Ru)4 by Materials Project

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Abstract

LaRu4Sb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent Sb1- atoms to form LaSb12 cuboctahedra that share faces with eight equivalent RuSb6 octahedra. All La–Sb bond lengths are 3.52 Å. Ru+2.25+ is bonded to six equivalent Sb1- atoms to form RuSb6 octahedra that share corners with six equivalent RuSb6 octahedra and faces with two equivalent LaSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 54°. All Ru–Sb bond lengths are 2.64 Å. Sb1- is bonded in a 2-coordinate geometry to one La3+, two equivalent Ru+2.25+, and two equivalent Sb1- atoms. There are one shorter (2.98 Å) and one longer (3.01 Å) Sb–Sb bond lengths.

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36 MATERIALS SCIENCEcrystal structureLa(Sb3Ru)4La-Ru-Sb

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2020-05-03. Materials Data on La(Sb3Ru)4 by Materials Project. https://doi.org/10.17188/1728834

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