Materials Data on NbSn3 by Materials Project
NbSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Sn atoms to form NbSn12 cuboctahedra that share corners with six equivalent NbSn12 cuboctahedra, corners with twelve equivalent SnNb4Sn8 cuboctahedra, edges with eighteen equivalent SnNb4Sn8 cuboctahedra, faces with eight equivalent NbSn12 cuboctahedra, and faces with twelve equivalent SnNb4Sn8 cuboctahedra. There are six shorter (3.13 Å) and six longer (3.25 Å) Nb–Sn bond lengths. Sn is bonded to four equivalent Nb and eight equivalent Sn atoms to form distorted SnNb4Sn8 cuboctahedra that share corners with four equivalent NbSn12 cuboctahedra, corners with fourteen equivalent SnNb4Sn8 cuboctahedra, edges with six equivalent NbSn12 cuboctahedra, edges with twelve equivalent SnNb4Sn8 cuboctahedra, faces with four equivalent NbSn12 cuboctahedra, and faces with sixteen equivalent SnNb4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.01–3.32 Å.