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DOE OSTI · 1672693

Materials Data on TiMoP2 by Materials Project

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Abstract

TiMoP2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent P3- atoms to form TiP6 octahedra that share corners with twelve equivalent MoP6 octahedra, edges with six equivalent TiP6 octahedra, and faces with two equivalent MoP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ti–P bond lengths are 2.48 Å. Mo2+ is bonded to six equivalent P3- atoms to form MoP6 octahedra that share corners with twelve equivalent TiP6 octahedra, edges with six equivalent MoP6 octahedra, and faces with two equivalent TiP6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Mo–P bond lengths are 2.48 Å. P3- is bonded in a 6-coordinate geometry to three equivalent Ti4+ and three equivalent Mo2+ atoms.

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36 MATERIALS SCIENCEcrystal structureMo-P-TiTiMoP2

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2020-05-02. Materials Data on TiMoP2 by Materials Project. https://doi.org/10.17188/1672693

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