Mg6BSn crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and two equivalent Sn(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted linear geometry to two equivalent Mg(4), four equivalent Mg(3), and two equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent B(1), and two equivalent Sn(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent B(1) atoms to form a mixture of distorted face and corner-sharing MgMg10B2 cuboctahedra. B(1) is bonded in a 4-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. Sn(1) is bonded in a distorted q6 geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms.
Mg6BSn crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and two equivalent Sn(1) atoms. Both Mg(1)-Mg(3) bond lengths are 3.18 Å. Both Mg(1)-Mg(4) bond lengths are 3.17 Å. There is one shorter (2.95 Å) and one longer (3.13 Å) Mg(1)-Sn(1) bond length. In the second Mg site, Mg(2) is bonded in a distorted linear geometry to two equivalent Mg(4), four equivalent Mg(3), and two equivalent Sn(1) atoms. Both Mg(2)-Mg(4) bond lengths are 3.15 Å. All Mg(2)-Mg(3) bond lengths are 3.14 Å. Both Mg(2)-Sn(1) bond lengths are 2.99 Å. In the third Mg site, Mg(3) is bonded in a 12-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent B(1), and two equivalent Sn(1) atoms. There is one shorter (2.97 Å) and one longer (3.02 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.02 Å) and one longer (3.05 Å) Mg(3)-Mg(4) bond length. There is one shorter (2.97 Å) and one longer (3.10 Å) Mg(3)-B(1) bond length. Both Mg(3)-Sn(1) bond lengths are 3.17 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent B(1) atoms to form a mixture of distorted face and corner-sharing MgMg10B2 cuboctahedra. Both Mg(4)-B(1) bond lengths are 2.99 Å. B(1) is bonded in a 4-coordinate geometry to two equivalent Mg(4) and four equivalent Mg(3) atoms. Sn(1) is bonded in a distorted q6 geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms.