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DOE OSTI · 1664772

Materials Data on Mg3SbN by Materials Project

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Abstract

SbNMg3 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 Sb3- and two equivalent N3- atoms. All Mg–Sb bond lengths are 3.10 Å. Both Mg–N bond lengths are 2.19 Å. Sb3- is bonded to twelve equivalent Mg2+ atoms to form SbMg12 cuboctahedra that share corners with twelve equivalent SbMg12 cuboctahedra, faces with six equivalent SbMg12 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 SbMg12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureMg-N-SbMg3SbN

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2020-05-02. Materials Data on Mg3SbN by Materials Project. https://doi.org/10.17188/1664772

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