Materials Data on La3Tl by Materials Project

Abstract

La3Tl is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to eight La and four equivalent Tl atoms to form distorted LaLa8Tl4 cuboctahedra that share corners with twelve equivalent LaLa8Tl4 cuboctahedra, edges with eight equivalent LaLa8Tl4 cuboctahedra, edges with eight equivalent TlLa12 cuboctahedra, faces with four equivalent TlLa12 cuboctahedra, and faces with ten equivalent LaLa8Tl4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.63 Å) La–La bond lengths. All La–Tl bond lengths are 3.63 Å. In the second La site, La is bonded in a distorted square co-planar geometry to eight equivalent La and four equivalent Tl atoms. All La–Tl bond lengths are 3.52 Å. Tl is bonded to twelve La atoms to form TlLa12 cuboctahedra that share corners with four equivalent TlLa12 cuboctahedra, edges with eight equivalent TlLa12 cuboctahedra, edges with sixteen equivalent LaLa8Tl4 cuboctahedra, faces with four equivalent TlLa12 cuboctahedra, and faces with eight equivalent LaLa8Tl4 cuboctahedra.