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DOE OSTI · 1191342

Materials Data on La(P3Ru)4 by Materials Project

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Abstract

LaRu4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent P1- atoms to form LaP12 cuboctahedra that share faces with eight equivalent RuP6 octahedra. All La–P bond lengths are 3.13 Å. Ru+2.25+ is bonded to six equivalent P1- atoms to form RuP6 octahedra that share corners with six equivalent RuP6 octahedra and faces with two equivalent LaP12 cuboctahedra. The corner-sharing octahedral tilt angles are 62°. All Ru–P bond lengths are 2.37 Å. P1- is bonded in a 5-coordinate geometry to one La3+, two equivalent Ru+2.25+, and two equivalent P1- atoms. There are one shorter (2.30 Å) and one longer (2.34 Å) P–P bond lengths.

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36 MATERIALS SCIENCEcrystal structureLa(P3Ru)4La-P-Ru

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2020-07-15. Materials Data on La(P3Ru)4 by Materials Project. https://doi.org/10.17188/1191342

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