MgSn5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six Sn(1,1,1) and six equivalent Sn(2) atoms to form MgSn12 cuboctahedra that share corners with six equivalent Mg(1)Sn12 cuboctahedra; edges with six equivalent Mg(1)Sn12 cuboctahedra; edges with twelve Sn(1,1,1)Mg2Sn10 cuboctahedra; and faces with twelve Sn(1,1,1)Mg2Sn10 cuboctahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Mg(1); four equivalent Sn(2); and six Sn(1,1) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with eighteen Sn(1,1,1)Mg2Sn10 cuboctahedra; edges with four equivalent Mg(1)Sn12 cuboctahedra; edges with six equivalent Sn(1)Mg2Sn10 cuboctahedra; faces with four equivalent Mg(1)Sn12 cuboctahedra; and faces with eight Sn(1,1,1)Mg2Sn10 cuboctahedra. In the second Sn site, Sn(2) is bonded in a distorted trigonal planar geometry to three equivalent Mg(1) and six Sn(1,1,1) atoms. In the third Sn site, Sn(1) is bonded to two equivalent Mg(1), four equivalent Sn(2), and six equivalent Sn(1) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with eighteen Sn(1,1)Mg2Sn10 cuboctahedra; edges with four equivalent Mg(1)Sn12 cuboctahedra; edges with six equivalent Sn(1)Mg2Sn10 cuboctahedra; faces with four equivalent Mg(1)Sn12 cuboctahedra; and faces with eight Sn(1,1)Mg2Sn10 cuboctahedra. In the fourth Sn site, Sn(1) is bonded to two equivalent Mg(1), four equivalent Sn(2), and six equivalent Sn(1) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with eighteen Sn(1,1,1)Mg2Sn10 cuboctahedra; edges with four equivalent Mg(1)Sn12 cuboctahedra; edges with six equivalent Sn(1)Mg2Sn10 cuboctahedra; faces with four equivalent Mg(1)Sn12 cuboctahedra; and faces with eight Sn(1,1)Mg2Sn10 cuboctahedra.
MgSn5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six Sn(1,1,1) and six equivalent Sn(2) atoms to form MgSn12 cuboctahedra that share corners with six equivalent Mg(1)Sn12 cuboctahedra; edges with six equivalent Mg(1)Sn12 cuboctahedra; edges with twelve Sn(1,1,1)Mg2Sn10 cuboctahedra; and faces with twelve Sn(1,1,1)Mg2Sn10 cuboctahedra. All Mg(1)-Sn(1,1,1) bond lengths are 3.36 Å. All Mg(1)-Sn(2) bond lengths are 3.28 Å. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent Mg(1); four equivalent Sn(2); and six Sn(1,1) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with eighteen Sn(1,1,1)Mg2Sn10 cuboctahedra; edges with four equivalent Mg(1)Sn12 cuboctahedra; edges with six equivalent Sn(1)Mg2Sn10 cuboctahedra; faces with four equivalent Mg(1)Sn12 cuboctahedra; and faces with eight Sn(1,1,1)Mg2Sn10 cuboctahedra. There are two shorter (3.36 Å) and two longer (3.38 Å) Sn(1)-Sn(2) bond lengths. There are four shorter (3.25 Å) and two longer (3.34 Å) Sn(1)-Sn(1,1) bond lengths. In the second Sn site, Sn(2) is bonded in a distorted trigonal planar geometry to three equivalent Mg(1) and six Sn(1,1,1) atoms. There are three shorter (3.36 Å) and one longer (3.38 Å) Sn(2)-Sn(1,1) bond length. In the third Sn site, Sn(1) is bonded to two equivalent Mg(1), four equivalent Sn(2), and six equivalent Sn(1) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with eighteen Sn(1,1)Mg2Sn10 cuboctahedra; edges with four equivalent Mg(1)Sn12 cuboctahedra; edges with six equivalent Sn(1)Mg2Sn10 cuboctahedra; faces with four equivalent Mg(1)Sn12 cuboctahedra; and faces with eight Sn(1,1)Mg2Sn10 cuboctahedra. In the fourth Sn site, Sn(1) is bonded to two equivalent Mg(1), four equivalent Sn(2), and six equivalent Sn(1) atoms to form distorted SnMg2Sn10 cuboctahedra that share corners with eighteen Sn(1,1,1)Mg2Sn10 cuboctahedra; edges with four equivalent Mg(1)Sn12 cuboctahedra; edges with six equivalent Sn(1)Mg2Sn10 cuboctahedra; faces with four equivalent Mg(1)Sn12 cuboctahedra; and faces with eight Sn(1,1)Mg2Sn10 cuboctahedra. There are four shorter (3.25 Å) and two longer (3.34 Å) Sn(1)-Sn(1) bond lengths.