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DOE OSTI · 1733549

Materials Data on AlNi3C by Materials Project

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Abstract

AlCNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Ni–Al bond lengths are 2.66 Å. Both Ni–C bond lengths are 1.88 Å. Al is bonded to twelve equivalent Ni atoms to form AlNi12 cuboctahedra that share corners with twelve equivalent AlNi12 cuboctahedra, faces with six equivalent AlNi12 cuboctahedra, and faces with eight equivalent CNi6 octahedra. C is bonded to six equivalent Ni atoms to form CNi6 octahedra that share corners with six equivalent CNi6 octahedra and faces with eight equivalent AlNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEAl-C-NiAlNi3Ccrystal structure

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2020-05-02. Materials Data on AlNi3C by Materials Project. https://doi.org/10.17188/1733549

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