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DOE OSTI · 1736959

Materials Data on Mg3AsN by Materials Project

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Abstract

AsNMg3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded in a linear geometry to four equivalent As3- and two equivalent N3- atoms. All Mg–As bond lengths are 3.00 Å. Both Mg–N bond lengths are 2.12 Å. As3- is bonded to twelve equivalent Mg2+ atoms to form AsMg12 cuboctahedra that share corners with twelve equivalent AsMg12 cuboctahedra, faces with six equivalent AsMg12 cuboctahedra, and faces with eight equivalent NMg6 octahedra. N3- is bonded to six equivalent Mg2+ atoms to form NMg6 octahedra that share corners with six equivalent NMg6 octahedra and faces with eight equivalent AsMg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEAs-Mg-Ncrystal structureMg3AsN

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2020-05-09. Materials Data on Mg3AsN by Materials Project. https://doi.org/10.17188/1736959

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