Materials Data on MnZn3 by Materials Project

Abstract

MnZn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Zn atoms to form MnZn12 cuboctahedra that share corners with six equivalent MnZn12 cuboctahedra, corners with twelve equivalent ZnMn4Zn8 cuboctahedra, edges with eighteen equivalent ZnMn4Zn8 cuboctahedra, faces with eight equivalent MnZn12 cuboctahedra, and faces with twelve equivalent ZnMn4Zn8 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.74 Å) Mn–Zn bond lengths. Zn is bonded to four equivalent Mn and eight equivalent Zn atoms to form ZnMn4Zn8 cuboctahedra that share corners with four equivalent MnZn12 cuboctahedra, corners with fourteen equivalent ZnMn4Zn8 cuboctahedra, edges with six equivalent MnZn12 cuboctahedra, edges with twelve equivalent ZnMn4Zn8 cuboctahedra, faces with four equivalent MnZn12 cuboctahedra, and faces with sixteen equivalent ZnMn4Zn8 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.70–2.76 Å.