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DOE OSTI · 1189288

Materials Data on Yb(FeP3)4 by Materials Project

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Abstract

YbFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent P1- atoms to form YbP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Yb–P bond lengths are 2.99 Å. Fe+2.50+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent YbP12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a 2-coordinate geometry to one Yb2+, two equivalent Fe+2.50+, and two equivalent P1- atoms. There are one shorter (2.28 Å) and one longer (2.34 Å) P–P bond lengths.

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36 MATERIALS SCIENCEcrystal structureFe-P-YbYb(FeP3)4

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2020-07-17. Materials Data on Yb(FeP3)4 by Materials Project. https://doi.org/10.17188/1189288

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