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DOE OSTI2020

Materials Data on La3SnC by Materials Project

La3SnC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a linear geometry to four equivalent Sn and two equivalent C atoms. All La–Sn bond lengths are 3.69 Å. Both La–C bond lengths are 2.61 Å. Sn is bonded to twelve equivalent La atoms to form SnLa12 cuboctahedra that share corners with twelve equivalent SnLa12 cuboctahedra, faces with six equivalent SnLa12 cuboctahedra, and faces with eight equivalent CLa6 octahedra. C is bonded to six equivalent La atoms to form CLa6 octahedra that share corners with six equivalent CLa6 octahedra and faces with eight equivalent SnLa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on La5Sn3C by Materials Project

La5Sn3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All La–Sn bond lengths are 3.36 Å. In the second La site, La is bonded in a 2-coordinate geometry to five equivalent Sn and two equivalent C atoms. There are a spread of La–Sn bond distances ranging from 3.40–3.92 Å. Both La–C bond lengths are 2.66 Å. Sn is bonded in a 9-coordinate geometry to nine La atoms. C is bonded to six equivalent La atoms to form face-sharing CLa6 octahedra.

36 MATERIALS SCIENCE↗