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 distorted single-bond geometry to one B(1) and two equivalent Sn(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted L-shaped geometry to two equivalent B(1) and two equivalent Sn(1) atoms. In the third Mg site, Mg(3) is bonded in a distorted L-shaped geometry to two equivalent Sn(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent Sn(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. Sn(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of distorted corner and face-sharing SnMg12 cuboctahedra.
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 distorted single-bond geometry to one B(1) and two equivalent Sn(1) atoms. The Mg(1)-B(1) bond length is 2.47 Å. There is one shorter (3.22 Å) and one longer (3.24 Å) Mg(1)-Sn(1) bond length. In the second Mg site, Mg(2) is bonded in a distorted L-shaped geometry to two equivalent B(1) and two equivalent Sn(1) atoms. Both Mg(2)-B(1) bond lengths are 2.70 Å. Both Mg(2)-Sn(1) bond lengths are 3.41 Å. In the third Mg site, Mg(3) is bonded in a distorted L-shaped geometry to two equivalent Sn(1) atoms. Both Mg(3)-Sn(1) bond lengths are 2.97 Å. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent B(1) and two equivalent Sn(1) atoms. Both Mg(4)-B(1) bond lengths are 2.49 Å. Both Mg(4)-Sn(1) bond lengths are 3.01 Å. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(2) atoms. Sn(1) is bonded to two equivalent Mg(3), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form a mixture of distorted corner and face-sharing SnMg12 cuboctahedra.