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DOE OSTI · 1196266

Materials Data on Ti3SnC2 by Materials Project

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Abstract

Ti3SnC2 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two 7440-31-5 molecules and two Ti3C2 sheets oriented in the (0, 0, 1) direction. In each Ti3C2 sheet, there are two inequivalent Ti2+ sites. In the first Ti2+ site, Ti2+ is bonded to six equivalent C4- atoms to form edge-sharing TiC6 octahedra. All Ti–C bond lengths are 2.22 Å. In the second Ti2+ site, Ti2+ is bonded in a distorted T-shaped geometry to three equivalent C4- atoms. All Ti–C bond lengths are 2.09 Å. C4- is bonded to six Ti2+ atoms to form a mixture of corner and edge-sharing CTi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Sn-Ticrystal structureTi3SnC2

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2020-07-18. Materials Data on Ti3SnC2 by Materials Project. https://doi.org/10.17188/1196266

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36 MATERIALS SCIENCE↗