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DOE OSTI · 1355446

Materials Data on CoMoP2 by Materials Project

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Abstract

MoCoP2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo4+ is bonded to six equivalent P3- atoms to form distorted MoP6 pentagonal pyramids that share corners with twelve equivalent CoP6 octahedra, edges with six equivalent MoP6 pentagonal pyramids, and faces with two equivalent CoP6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Mo–P bond lengths are 2.48 Å. Co2+ is bonded to six equivalent P3- atoms to form CoP6 octahedra that share corners with twelve equivalent MoP6 pentagonal pyramids, edges with six equivalent CoP6 octahedra, and faces with two equivalent MoP6 pentagonal pyramids. All Co–P bond lengths are 2.26 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Mo4+ and three equivalent Co2+ atoms.

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36 MATERIALS SCIENCECo-Mo-PCoMoP2crystal structure

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2020-07-15. Materials Data on CoMoP2 by Materials Project. https://doi.org/10.17188/1355446

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