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DOE OSTI · 1187221

Materials Data on Sm3TlC by Materials Project

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Abstract

Sm3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Sm–Tl bond lengths are 3.58 Å. Both Sm–C bond lengths are 2.53 Å. Tl is bonded to twelve equivalent Sm atoms to form TlSm12 cuboctahedra that share corners with twelve equivalent TlSm12 cuboctahedra, faces with six equivalent TlSm12 cuboctahedra, and faces with eight equivalent CSm6 octahedra. C is bonded to six equivalent Sm atoms to form CSm6 octahedra that share corners with six equivalent CSm6 octahedra and faces with eight equivalent TlSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Sm-Tlcrystal structureSm3TlC

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2020-07-16. Materials Data on Sm3TlC by Materials Project. https://doi.org/10.17188/1187221

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