TiSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to twelve equivalent Sn(1) atoms to form TiSn12 cuboctahedra that share corners with six equivalent Ti(1)Sn12 cuboctahedra, corners with twelve equivalent Sn(1)Ti4Sn8 cuboctahedra, edges with eighteen equivalent Sn(1)Ti4Sn8 cuboctahedra, faces with eight equivalent Ti(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Ti4Sn8 cuboctahedra. Sn(1) is bonded to four equivalent Ti(1) and eight equivalent Sn(1) atoms to form distorted SnTi4Sn8 cuboctahedra that share corners with four equivalent Ti(1)Sn12 cuboctahedra, corners with fourteen equivalent Sn(1)Ti4Sn8 cuboctahedra, edges with six equivalent Ti(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Ti4Sn8 cuboctahedra, faces with four equivalent Ti(1)Sn12 cuboctahedra, and faces with sixteen equivalent Sn(1)Ti4Sn8 cuboctahedra.
TiSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to twelve equivalent Sn(1) atoms to form TiSn12 cuboctahedra that share corners with six equivalent Ti(1)Sn12 cuboctahedra, corners with twelve equivalent Sn(1)Ti4Sn8 cuboctahedra, edges with eighteen equivalent Sn(1)Ti4Sn8 cuboctahedra, faces with eight equivalent Ti(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Ti4Sn8 cuboctahedra. There are six shorter (3.14 Å) and six longer (3.27 Å) Ti(1)-Sn(1) bond lengths. Sn(1) is bonded to four equivalent Ti(1) and eight equivalent Sn(1) atoms to form distorted SnTi4Sn8 cuboctahedra that share corners with four equivalent Ti(1)Sn12 cuboctahedra, corners with fourteen equivalent Sn(1)Ti4Sn8 cuboctahedra, edges with six equivalent Ti(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Ti4Sn8 cuboctahedra, faces with four equivalent Ti(1)Sn12 cuboctahedra, and faces with sixteen equivalent Sn(1)Ti4Sn8 cuboctahedra. There are a spread of Sn(1)-Sn(1) bond distances ranging from 3.06-3.32 Å.