Materials Data on Tl3Ru by Materials Project

Abstract

RuTl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to twelve equivalent Tl atoms to form RuTl12 cuboctahedra that share corners with six equivalent RuTl12 cuboctahedra, corners with twelve equivalent TlTl8Ru4 cuboctahedra, edges with eighteen equivalent TlTl8Ru4 cuboctahedra, faces with eight equivalent RuTl12 cuboctahedra, and faces with twelve equivalent TlTl8Ru4 cuboctahedra. All Ru–Tl bond lengths are 3.19 Å. Tl is bonded to four equivalent Ru and eight equivalent Tl atoms to form distorted TlTl8Ru4 cuboctahedra that share corners with four equivalent RuTl12 cuboctahedra, corners with fourteen equivalent TlTl8Ru4 cuboctahedra, edges with six equivalent RuTl12 cuboctahedra, edges with twelve equivalent TlTl8Ru4 cuboctahedra, faces with four equivalent RuTl12 cuboctahedra, and faces with sixteen equivalent TlTl8Ru4 cuboctahedra. There are a spread of Tl–Tl bond distances ranging from 3.08–3.30 Å.