Zr2TlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 3-coordinate geometry to three equivalent Tl(1) and three equivalent C(1) atoms. Tl(1) is bonded to six equivalent Zr(1) atoms to form distorted TlZr6 cuboctahedra that share corners with six equivalent C(1)Zr6 octahedra, edges with six equivalent Tl(1)Zr6 cuboctahedra, and edges with six equivalent C(1)Zr6 octahedra. The corner-sharing octahedral tilt angles are 20°. C(1) is bonded to six equivalent Zr(1) atoms to form CZr6 octahedra that share corners with six equivalent Tl(1)Zr6 cuboctahedra, edges with six equivalent Tl(1)Zr6 cuboctahedra, and edges with six equivalent C(1)Zr6 octahedra.
Zr2TlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 3-coordinate geometry to three equivalent Tl(1) and three equivalent C(1) atoms. All Zr(1)-Tl(1) bond lengths are 3.19 Å. All Zr(1)-C(1) bond lengths are 2.31 Å. Tl(1) is bonded to six equivalent Zr(1) atoms to form distorted TlZr6 cuboctahedra that share corners with six equivalent C(1)Zr6 octahedra, edges with six equivalent Tl(1)Zr6 cuboctahedra, and edges with six equivalent C(1)Zr6 octahedra. The corner-sharing octahedral tilt angles are 20°. C(1) is bonded to six equivalent Zr(1) atoms to form CZr6 octahedra that share corners with six equivalent Tl(1)Zr6 cuboctahedra, edges with six equivalent Tl(1)Zr6 cuboctahedra, and edges with six equivalent C(1)Zr6 octahedra.