Materials Data on MnSn3 by Materials Project

Abstract

MnSn3 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 Sn atoms to form MnSn12 cuboctahedra that share corners with six equivalent MnSn12 cuboctahedra, corners with twelve equivalent SnMn4Sn8 cuboctahedra, edges with eighteen equivalent SnMn4Sn8 cuboctahedra, faces with eight equivalent MnSn12 cuboctahedra, and faces with twelve equivalent SnMn4Sn8 cuboctahedra. There are six shorter (3.22 Å) and six longer (3.28 Å) Mn–Sn bond lengths. Sn is bonded to four equivalent Mn and eight equivalent Sn atoms to form distorted SnMn4Sn8 cuboctahedra that share corners with four equivalent MnSn12 cuboctahedra, corners with fourteen equivalent SnMn4Sn8 cuboctahedra, edges with six equivalent MnSn12 cuboctahedra, edges with twelve equivalent SnMn4Sn8 cuboctahedra, faces with four equivalent MnSn12 cuboctahedra, and faces with sixteen equivalent SnMn4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.14–3.33 Å.