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 12-coordinate geometry to one Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(3), and two equivalent La(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent La(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. La(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(2), four equivalent Mg(3), and two equivalent B(1) atoms. B(1) is bonded in a bent 120 degrees geometry to 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 12-coordinate geometry to one Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. The Mg(1)-Mg(2) bond length is 3.21 Å. Both Mg(1)-Mg(3) bond lengths are 2.94 Å. Both Mg(1)-Mg(4) bond lengths are 3.15 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(3), and two equivalent La(1) atoms. Both Mg(2)-Mg(4) bond lengths are 3.05 Å. All Mg(2)-Mg(3) bond lengths are 3.04 Å. Both Mg(2)-La(1) bond lengths are 3.26 Å. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent La(1) atoms. There is one shorter (3.04 Å) and one longer (3.44 Å) Mg(3)-Mg(3) bond length. There is one shorter (3.35 Å) and one longer (3.37 Å) Mg(3)-Mg(4) bond length. Both Mg(3)-La(1) bond lengths are 3.29 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. La(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mg(2), four equivalent Mg(3), and two equivalent B(1) atoms. Both La(1)-B(1) bond lengths are 2.85 Å. B(1) is bonded in a bent 120 degrees geometry to two equivalent La(1) atoms.