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DOE OSTI · 1349810

Materials Data on Lu3AlN by Materials Project

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Abstract

Lu3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Lu–Al bond lengths are 3.28 Å. Both Lu–N bond lengths are 2.32 Å. Al is bonded to twelve equivalent Lu atoms to form AlLu12 cuboctahedra that share corners with twelve equivalent AlLu12 cuboctahedra, faces with six equivalent AlLu12 cuboctahedra, and faces with eight equivalent NLu6 octahedra. N is bonded to six equivalent Lu atoms to form NLu6 octahedra that share corners with six equivalent NLu6 octahedra and faces with eight equivalent AlLu12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEAl-Lu-Ncrystal structureLu3AlN

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2020-07-23. Materials Data on Lu3AlN by Materials Project. https://doi.org/10.17188/1349810

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