MgSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Sn(1) atoms to form MgSn12 cuboctahedra that share corners with six equivalent Mg(1)Sn12 cuboctahedra, corners with twelve equivalent Sn(1)Mg4Sn8 cuboctahedra, edges with eighteen equivalent Sn(1)Mg4Sn8 cuboctahedra, faces with eight equivalent Mg(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Mg4Sn8 cuboctahedra. Sn(1) is bonded to four equivalent Mg(1) and eight equivalent Sn(1) atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with four equivalent Mg(1)Sn12 cuboctahedra, corners with fourteen equivalent Sn(1)Mg4Sn8 cuboctahedra, edges with six equivalent Mg(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Mg4Sn8 cuboctahedra, faces with four equivalent Mg(1)Sn12 cuboctahedra, and faces with sixteen equivalent Sn(1)Mg4Sn8 cuboctahedra.
MgSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Sn(1) atoms to form MgSn12 cuboctahedra that share corners with six equivalent Mg(1)Sn12 cuboctahedra, corners with twelve equivalent Sn(1)Mg4Sn8 cuboctahedra, edges with eighteen equivalent Sn(1)Mg4Sn8 cuboctahedra, faces with eight equivalent Mg(1)Sn12 cuboctahedra, and faces with twelve equivalent Sn(1)Mg4Sn8 cuboctahedra. There are six shorter (3.25 Å) and six longer (3.35 Å) Mg(1)-Sn(1) bond lengths. Sn(1) is bonded to four equivalent Mg(1) and eight equivalent Sn(1) atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with four equivalent Mg(1)Sn12 cuboctahedra, corners with fourteen equivalent Sn(1)Mg4Sn8 cuboctahedra, edges with six equivalent Mg(1)Sn12 cuboctahedra, edges with twelve equivalent Sn(1)Mg4Sn8 cuboctahedra, faces with four equivalent Mg(1)Sn12 cuboctahedra, and faces with sixteen equivalent Sn(1)Mg4Sn8 cuboctahedra. There are a spread of Sn(1)-Sn(1) bond distances ranging from 3.22-3.37 Å.