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DOE OSTI · 1207556

Materials Data on Ti2SnC by Materials Project

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Abstract

Ti2SnC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Sn and three equivalent C atoms. All Ti–Sn bond lengths are 2.97 Å. All Ti–C bond lengths are 2.15 Å. Sn is bonded to six equivalent Ti atoms to form distorted SnTi6 cuboctahedra that share corners with six equivalent CTi6 octahedra, edges with six equivalent SnTi6 cuboctahedra, and edges with six equivalent CTi6 octahedra. The corner-sharing octahedral tilt angles are 21°. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent SnTi6 cuboctahedra, edges with six equivalent SnTi6 cuboctahedra, and edges with six equivalent CTi6 octahedra.

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36 MATERIALS SCIENCEC-Sn-Ticrystal structureTi2SnC

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2020-07-14. Materials Data on Ti2SnC by Materials Project. https://doi.org/10.17188/1207556

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