Materials Data on Zr3In by Materials Project

Abstract

Zr3In 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 In atoms to form distorted ZrZr8In4 cuboctahedra that share corners with twelve equivalent ZrZr8In4 cuboctahedra, edges with eight equivalent InZr12 cuboctahedra, edges with sixteen equivalent ZrZr8In4 cuboctahedra, faces with four equivalent InZr12 cuboctahedra, and faces with fourteen equivalent ZrZr8In4 cuboctahedra. All Zr–Zr bond lengths are 3.17 Å. All Zr–In bond lengths are 3.17 Å. In is bonded to twelve equivalent Zr atoms to form InZr12 cuboctahedra that share corners with twelve equivalent InZr12 cuboctahedra, edges with twenty-four equivalent ZrZr8In4 cuboctahedra, faces with six equivalent InZr12 cuboctahedra, and faces with twelve equivalent ZrZr8In4 cuboctahedra.