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DOE OSTI · 1720468

Materials Data on SmNiP by Materials Project

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Abstract

SmNiP crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded to six equivalent P3- atoms to form a mixture of edge, face, and corner-sharing SmP6 octahedra. All Sm–P bond lengths are 3.02 Å. In the second Sm2+ site, Sm2+ is bonded to six equivalent P3- atoms to form a mixture of distorted edge, face, and corner-sharing SmP6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 44°. All Sm–P bond lengths are 3.02 Å. Ni1+ is bonded in a trigonal planar geometry to three equivalent P3- atoms. All Ni–P bond lengths are 2.28 Å. P3- is bonded in a 3-coordinate geometry to six Sm2+ and three equivalent Ni1+ atoms.

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36 MATERIALS SCIENCEcrystal structureNi-P-SmSmNiP

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2020-05-02. Materials Data on SmNiP by Materials Project. https://doi.org/10.17188/1720468

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