Materials Data on ZnFe by Materials Project

Abstract

ZnFe is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded to four equivalent Fe and eight equivalent Zn atoms to form FeZn8Fe4 cuboctahedra that share corners with twelve equivalent FeZn8Fe4 cuboctahedra, edges with eight equivalent FeZn8Fe4 cuboctahedra, edges with sixteen equivalent ZnZn4Fe8 cuboctahedra, faces with eight equivalent ZnZn4Fe8 cuboctahedra, and faces with ten equivalent FeZn8Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. All Fe–Zn bond lengths are 2.66 Å. Zn is bonded to eight equivalent Fe and four equivalent Zn atoms to form ZnZn4Fe8 cuboctahedra that share corners with twelve equivalent ZnZn4Fe8 cuboctahedra, edges with eight equivalent ZnZn4Fe8 cuboctahedra, edges with sixteen equivalent FeZn8Fe4 cuboctahedra, faces with eight equivalent FeZn8Fe4 cuboctahedra, and faces with ten equivalent ZnZn4Fe8 cuboctahedra. All Zn–Zn bond lengths are 2.57 Å.