Materials Data on Tl3Os by Materials Project

Abstract

OsTl3 is beta Cu3Ti-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Os is bonded to twelve equivalent Tl atoms to form OsTl12 cuboctahedra that share corners with six equivalent OsTl12 cuboctahedra, corners with twelve equivalent TlTl8Os4 cuboctahedra, edges with eighteen equivalent TlTl8Os4 cuboctahedra, faces with eight equivalent OsTl12 cuboctahedra, and faces with twelve equivalent TlTl8Os4 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.24 Å) Os–Tl bond lengths. Tl is bonded to four equivalent Os and eight equivalent Tl atoms to form distorted TlTl8Os4 cuboctahedra that share corners with four equivalent OsTl12 cuboctahedra, corners with fourteen equivalent TlTl8Os4 cuboctahedra, edges with six equivalent OsTl12 cuboctahedra, edges with twelve equivalent TlTl8Os4 cuboctahedra, faces with four equivalent OsTl12 cuboctahedra, and faces with sixteen equivalent TlTl8Os4 cuboctahedra. There are a spread of Tl–Tl bond distances ranging from 3.03–3.30 Å.