Materials Data on Hf2TlC by Materials Project

Abstract

Hf2TlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to three equivalent Tl and three equivalent C atoms. All Hf–Tl bond lengths are 3.16 Å. All Hf–C bond lengths are 2.28 Å. Tl is bonded to six equivalent Hf atoms to form distorted TlHf6 cuboctahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent TlHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent TlHf6 cuboctahedra, edges with six equivalent TlHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra.