MgSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Sn(1) and eight equivalent Sn(2) atoms to form MgSn12 cuboctahedra that share corners with four equivalent Mg(1)Sn12 cuboctahedra, edges with eight equivalent Mg(1)Sn12 cuboctahedra, edges with sixteen equivalent Sn(2)Mg4Sn8 cuboctahedra, faces with four equivalent Mg(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(2)Mg4Sn8 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a square co-planar geometry to four equivalent Mg(1) and eight equivalent Sn(2) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Mg(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with twelve equivalent Sn(2)Mg4Sn8 cuboctahedra, edges with eight equivalent Mg(1)Sn12 cuboctahedra, edges with eight equivalent Sn(2)Mg4Sn8 cuboctahedra, faces with four equivalent Mg(1)Sn12 cuboctahedra, and faces with ten equivalent Sn(2)Mg4Sn8 cuboctahedra.
MgSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Mg(1) is bonded to four equivalent Sn(1) and eight equivalent Sn(2) atoms to form MgSn12 cuboctahedra that share corners with four equivalent Mg(1)Sn12 cuboctahedra, edges with eight equivalent Mg(1)Sn12 cuboctahedra, edges with sixteen equivalent Sn(2)Mg4Sn8 cuboctahedra, faces with four equivalent Mg(1)Sn12 cuboctahedra, and faces with eight equivalent Sn(2)Mg4Sn8 cuboctahedra. All Mg(1)-Sn(1) bond lengths are 3.21 Å. All Mg(1)-Sn(2) bond lengths are 3.36 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a square co-planar geometry to four equivalent Mg(1) and eight equivalent Sn(2) atoms. All Sn(1)-Sn(2) bond lengths are 3.36 Å. In the second Sn site, Sn(2) is bonded to four equivalent Mg(1), four equivalent Sn(1), and four equivalent Sn(2) atoms to form distorted SnMg4Sn8 cuboctahedra that share corners with twelve equivalent Sn(2)Mg4Sn8 cuboctahedra, edges with eight equivalent Mg(1)Sn12 cuboctahedra, edges with eight equivalent Sn(2)Mg4Sn8 cuboctahedra, faces with four equivalent Mg(1)Sn12 cuboctahedra, and faces with ten equivalent Sn(2)Mg4Sn8 cuboctahedra. All Sn(2)-Sn(2) bond lengths are 3.21 Å.