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DOE OSTI · 1207645

Materials Data on Mg2PN3 by Materials Project

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Abstract

Mg2PN3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Mg–N bond distances ranging from 2.09–2.65 Å. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.63–1.71 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent P5+ atoms to form distorted corner-sharing NMg2P2 tetrahedra. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four equivalent Mg2+ and one P5+ atom.

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36 MATERIALS SCIENCEcrystal structureMg-N-PMg2PN3

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2020-05-02. Materials Data on Mg2PN3 by Materials Project. https://doi.org/10.17188/1207645

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