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DOE OSTI · 1351411

Materials Data on Ce(As3Ru)4 by Materials Project

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Abstract

CeRu4As12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent As+1.67- atoms to form CeAs12 cuboctahedra that share faces with eight equivalent RuAs6 octahedra. All Ce–As bond lengths are 3.25 Å. Ru+4.25+ is bonded to six equivalent As+1.67- atoms to form RuAs6 octahedra that share corners with six equivalent RuAs6 octahedra and faces with two equivalent CeAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. All Ru–As bond lengths are 2.46 Å. As+1.67- is bonded in a 5-coordinate geometry to one Ce3+, two equivalent Ru+4.25+, and two equivalent As+1.67- atoms. There are one shorter (2.58 Å) and one longer (2.63 Å) As–As bond lengths.

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36 MATERIALS SCIENCEAs-Ce-RuCe(As3Ru)4crystal structure

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2020-07-18. Materials Data on Ce(As3Ru)4 by Materials Project. https://doi.org/10.17188/1351411

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