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DOE OSTI · 1206359

Materials Data on Ti3AlC by Materials Project

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Abstract

Ti3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Ti–Al bond lengths are 2.96 Å. Both Ti–C bond lengths are 2.09 Å. Al is bonded to twelve equivalent Ti atoms to form AlTi12 cuboctahedra that share corners with twelve equivalent AlTi12 cuboctahedra, faces with six equivalent AlTi12 cuboctahedra, and faces with eight equivalent CTi6 octahedra. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent CTi6 octahedra and faces with eight equivalent AlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEAl-C-Ticrystal structureTi3AlC

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2020-07-14. Materials Data on Ti3AlC by Materials Project. https://doi.org/10.17188/1206359

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