Mg6LaB 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 two equivalent Mg(3) and one B(1) atom. In the second Mg site, Mg(2) is bonded in a distorted bent 120 degrees geometry to one Mg(3), one Mg(4), two equivalent La(1), and two equivalent B(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and two equivalent La(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Mg(2) and two equivalent Mg(3) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), four equivalent Mg(2), and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms.
Mg6LaB 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 two equivalent Mg(3) and one B(1) atom. Both Mg(1)-Mg(3) bond lengths are 3.03 Å. The Mg(1)-B(1) bond length is 2.55 Å. In the second Mg site, Mg(2) is bonded in a distorted bent 120 degrees geometry to one Mg(3), one Mg(4), two equivalent La(1), and two equivalent B(1) atoms. The Mg(2)-Mg(3) bond length is 3.27 Å. The Mg(2)-Mg(4) bond length is 3.12 Å. Both Mg(2)-La(1) bond lengths are 3.22 Å. Both Mg(2)-B(1) bond lengths are 2.76 Å. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), and two equivalent La(1) atoms. Both Mg(3)-Mg(4) bond lengths are 3.03 Å. Both Mg(3)-La(1) bond lengths are 3.23 Å. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Mg(2) and two equivalent Mg(3) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), four equivalent Mg(2), and two equivalent B(1) atoms. Both La(1)-B(1) bond lengths are 3.13 Å. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), four equivalent Mg(2), and two equivalent La(1) atoms.