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DOE OSTI · 1691173

Materials Data on Nb3P by Materials Project

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Abstract

Nb3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.56 Å) and one longer (2.70 Å) Nb–P bond lengths. In the second Nb site, Nb is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Nb–P bond distances ranging from 2.56–2.84 Å. In the third Nb site, Nb is bonded to four equivalent P atoms to form a mixture of distorted edge and corner-sharing NbP4 tetrahedra. There are a spread of Nb–P bond distances ranging from 2.58–2.64 Å. P is bonded in a 9-coordinate geometry to nine Nb atoms.

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36 MATERIALS SCIENCEcrystal structureNb-PNb3P

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2018-07-19. Materials Data on Nb3P by Materials Project. https://doi.org/10.17188/1691173

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