Materials Data on La3Zn by Materials Project

Abstract

La3Zn 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 Zn atoms to form distorted LaLa8Zn4 cuboctahedra that share corners with twelve equivalent LaLa8Zn4 cuboctahedra, edges with eight equivalent LaLa8Zn4 cuboctahedra, edges with eight equivalent ZnLa12 cuboctahedra, faces with four equivalent ZnLa12 cuboctahedra, and faces with ten equivalent LaLa8Zn4 cuboctahedra. There are four shorter (3.45 Å) and four longer (3.52 Å) La–La bond lengths. All La–Zn bond lengths are 3.52 Å. In the second La site, La is bonded in a distorted square co-planar geometry to eight equivalent La and four equivalent Zn atoms. All La–Zn bond lengths are 3.45 Å. Zn is bonded to twelve La atoms to form ZnLa12 cuboctahedra that share corners with four equivalent ZnLa12 cuboctahedra, edges with eight equivalent ZnLa12 cuboctahedra, edges with sixteen equivalent LaLa8Zn4 cuboctahedra, faces with four equivalent ZnLa12 cuboctahedra, and faces with eight equivalent LaLa8Zn4 cuboctahedra.