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DOE OSTI · 1272946

Materials Data on Y3TlC by Materials Project

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Abstract

Y3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded in a linear geometry to four equivalent Tl and two equivalent C atoms. All Y–Tl bond lengths are 3.49 Å. Both Y–C bond lengths are 2.47 Å. Tl is bonded to twelve equivalent Y atoms to form TlY12 cuboctahedra that share corners with twelve equivalent TlY12 cuboctahedra, faces with six equivalent TlY12 cuboctahedra, and faces with eight equivalent CY6 octahedra. C is bonded to six equivalent Y atoms to form CY6 octahedra that share corners with six equivalent CY6 octahedra and faces with eight equivalent TlY12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Tl-Ycrystal structureY3TlC

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2020-07-15. Materials Data on Y3TlC by Materials Project. https://doi.org/10.17188/1272946

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36 MATERIALS SCIENCE↗