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DOE OSTI · 1746176

Materials Data on Pr(As3Ru)4 by Materials Project

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Abstract

PrRu4As12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent As+1.67- atoms to form PrAs12 cuboctahedra that share faces with eight equivalent RuAs6 octahedra. All Pr–As bond lengths are 3.27 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 PrAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Ru–As bond lengths are 2.47 Å. As+1.67- is bonded in a 5-coordinate geometry to one Pr3+, two equivalent Ru+4.25+, and two equivalent As+1.67- atoms. There are one shorter (2.58 Å) and one longer (2.59 Å) As–As bond lengths.

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36 MATERIALS SCIENCEAs-Pr-Rucrystal structurePr(As3Ru)4

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2020-05-02. Materials Data on Pr(As3Ru)4 by Materials Project. https://doi.org/10.17188/1746176

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