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DOE OSTI · 1191861

Materials Data on Nd(FeP3)4 by Materials Project

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Abstract

NdFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent P1- atoms to form NdP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Nd–P bond lengths are 3.00 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 NdP12 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 Nd3+, 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-Nd-PNd(FeP3)4

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2020-07-15. Materials Data on Nd(FeP3)4 by Materials Project. https://doi.org/10.17188/1191861

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