Materials Data on Y3Tl by Materials Project

Y3Tl is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y is bonded to eight equivalent Y and four equivalent Tl atoms to form distorted YY8Tl4 cuboctahedra that share corners with four equivalent TlY12 cuboctahedra, corners with fourteen equivalent YY8Tl4 cuboctahedra, edges with six equivalent TlY12 cuboctahedra, edges with twelve equivalent YY8Tl4 cuboctahedra, faces with four equivalent TlY12 cuboctahedra, and faces with sixteen equivalent YY8Tl4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.39–3.53 Å. There are two shorter (3.45 Å) and two longer (3.46 Å) Y–Tl bond lengths. Tl is bonded to twelve equivalent Y atoms to form TlY12 cuboctahedra that share corners with six equivalent TlY12 cuboctahedra, corners with twelve equivalent YY8Tl4 cuboctahedra, edges with eighteen equivalent YY8Tl4 cuboctahedra, faces with eight equivalent TlY12 cuboctahedra, and faces with twelve equivalent YY8Tl4 cuboctahedra.