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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ti3SnC2 by Materials Project

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°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2SnC by Materials Project

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.

36 MATERIALS SCIENCE↗