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DOE OSTI · 1191860

Materials Data on Pr(FeP3)4 by Materials Project

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Abstract

PrFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent P1- atoms to form PrP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Pr–P bond lengths are 3.01 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 PrP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.25 Å. P1- is bonded in a 2-coordinate geometry to one Pr3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. There are one shorter (2.29 Å) and one longer (2.37 Å) P–P bond lengths.

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

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2020-07-15. Materials Data on Pr(FeP3)4 by Materials Project. https://doi.org/10.17188/1191860

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