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DOE OSTI · 1200521

Materials Data on Mg3P2 by Materials Project

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Abstract

Mg3P2 is Spinel-derived structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Mg2+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing MgP4 tetrahedra. There are a spread of Mg–P bond distances ranging from 2.54–2.65 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted corner and edge-sharing PMg6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second P3- site, P3- is bonded to six equivalent Mg2+ atoms to form a mixture of distorted corner and edge-sharing PMg6 octahedra. The corner-sharing octahedral tilt angles are 59°.

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36 MATERIALS SCIENCEcrystal structureMg-PMg3P2

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2020-05-02. Materials Data on Mg3P2 by Materials Project. https://doi.org/10.17188/1200521

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