Materials Data on La3Zr by Materials Project

Abstract

La3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded to eight equivalent La and four equivalent Zr atoms to form LaLa8Zr4 cuboctahedra that share corners with twelve equivalent LaLa8Zr4 cuboctahedra, edges with eight equivalent ZrLa12 cuboctahedra, edges with sixteen equivalent LaLa8Zr4 cuboctahedra, faces with four equivalent ZrLa12 cuboctahedra, and faces with fourteen equivalent LaLa8Zr4 cuboctahedra. All La–La bond lengths are 3.58 Å. All La–Zr bond lengths are 3.58 Å. Zr is bonded to twelve equivalent La atoms to form ZrLa12 cuboctahedra that share corners with twelve equivalent ZrLa12 cuboctahedra, edges with twenty-four equivalent LaLa8Zr4 cuboctahedra, faces with six equivalent ZrLa12 cuboctahedra, and faces with twelve equivalent LaLa8Zr4 cuboctahedra.