Materials Data on Zr3Ga by Materials Project

Abstract

Zr3Ga is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent Ga atoms to form distorted ZrZr8Ga4 cuboctahedra that share corners with twelve equivalent ZrZr8Ga4 cuboctahedra, edges with eight equivalent GaZr12 cuboctahedra, edges with sixteen equivalent ZrZr8Ga4 cuboctahedra, faces with four equivalent GaZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8Ga4 cuboctahedra. All Zr–Zr bond lengths are 3.09 Å. All Zr–Ga bond lengths are 3.09 Å. Ga is bonded to twelve equivalent Zr atoms to form GaZr12 cuboctahedra that share corners with twelve equivalent GaZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8Ga4 cuboctahedra, faces with six equivalent GaZr12 cuboctahedra, and faces with twelve equivalent ZrZr8Ga4 cuboctahedra.