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DOE OSTI · 1191751

Materials Data on Ce(FeP3)4 by Materials Project

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Abstract

CeFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent P1- atoms to form CeP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Ce–P bond lengths are 2.98 Å. Fe+2.25+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent CeP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a 2-coordinate geometry to one Ce3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. There are one shorter (2.32 Å) and one longer (2.36 Å) P–P bond lengths.

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36 MATERIALS SCIENCECe(FeP3)4Ce-Fe-Pcrystal structure

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2020-07-18. Materials Data on Ce(FeP3)4 by Materials Project. https://doi.org/10.17188/1191751

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