Materials Data on MgZr by Materials Project

Abstract

ZrMg is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded to four equivalent Mg and eight equivalent Zr atoms to form MgMg4Zr8 cuboctahedra that share corners with twelve equivalent MgMg4Zr8 cuboctahedra, edges with eight equivalent MgMg4Zr8 cuboctahedra, edges with sixteen equivalent ZrMg8Zr4 cuboctahedra, faces with eight equivalent ZrMg8Zr4 cuboctahedra, and faces with ten equivalent MgMg4Zr8 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. All Mg–Zr bond lengths are 3.16 Å. Zr is bonded to eight equivalent Mg and four equivalent Zr atoms to form ZrMg8Zr4 cuboctahedra that share corners with twelve equivalent ZrMg8Zr4 cuboctahedra, edges with eight equivalent ZrMg8Zr4 cuboctahedra, edges with sixteen equivalent MgMg4Zr8 cuboctahedra, faces with eight equivalent MgMg4Zr8 cuboctahedra, and faces with ten equivalent ZrMg8Zr4 cuboctahedra. All Zr–Zr bond lengths are 3.16 Å.