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DOE OSTI · 1749123

Materials Data on NiP by Materials Project

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Abstract

NiP crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 5-coordinate geometry to five P2- atoms. There are a spread of Ni–P bond distances ranging from 2.26–2.34 Å. In the second Ni2+ site, Ni2+ is bonded to six P2- atoms to form distorted face-sharing NiP6 octahedra. There are a spread of Ni–P bond distances ranging from 2.28–2.37 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 6-coordinate geometry to six Ni2+ atoms. In the second P2- site, P2- is bonded in a 5-coordinate geometry to five Ni2+ atoms.

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36 MATERIALS SCIENCEcrystal structureNi-PNiP

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2020-05-04. Materials Data on NiP by Materials Project. https://doi.org/10.17188/1749123

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