Materials Data on CuSn3 by Materials Project

Abstract

Sn3.0Cu crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu is bonded to twelve equivalent Sn atoms to form CuSn12 cuboctahedra that share corners with six equivalent CuSn12 cuboctahedra, corners with twelve equivalent SnCu4Sn8 cuboctahedra, edges with eighteen equivalent SnCu4Sn8 cuboctahedra, faces with eight equivalent CuSn12 cuboctahedra, and faces with twelve equivalent SnCu4Sn8 cuboctahedra. There are six shorter (3.11 Å) and six longer (3.31 Å) Cu–Sn bond lengths. Sn is bonded to four equivalent Cu and eight equivalent Sn atoms to form distorted SnCu4Sn8 cuboctahedra that share corners with four equivalent CuSn12 cuboctahedra, corners with fourteen equivalent SnCu4Sn8 cuboctahedra, edges with six equivalent CuSn12 cuboctahedra, edges with twelve equivalent SnCu4Sn8 cuboctahedra, faces with four equivalent CuSn12 cuboctahedra, and faces with sixteen equivalent SnCu4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.19–3.42 Å.