Mg14LaB crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form distorted corner-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(1), four equivalent Mg(4), and four equivalent Mg(5) atoms. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent La(1), and one B(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(6) atoms. In the fifth Mg site, Mg(5) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(6), and one La(1) atom. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one La(1) atom. In the seventh Mg site, Mg(7) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent La(1), and one B(1) atom. La(1) is bonded in a 16-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), four equivalent Mg(7), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), two equivalent Mg(7), and two equivalent La(1) atoms.
Mg14LaB crystallizes in the orthorhombic Amm2 space group. There are seven inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Mg(2), two equivalent Mg(6), four equivalent Mg(4), and four equivalent Mg(5) atoms to form distorted corner-sharing MgMg12 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.02 Å. Both Mg(1)-Mg(6) bond lengths are 3.15 Å. There are two shorter (3.33 Å) and two longer (3.39 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) 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), four equivalent Mg(4), and four equivalent Mg(5) atoms. There are two shorter (3.29 Å) and two longer (3.42 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.17 Å. In the third Mg site, Mg(3) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent La(1), and one B(1) atom. Both Mg(3)-Mg(6) bond lengths are 3.37 Å. There is one shorter (3.28 Å) and one longer (3.44 Å) Mg(3)-La(1) bond length. The Mg(3)-B(1) bond length is 2.48 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), and two equivalent Mg(6) atoms. There is one shorter (2.96 Å) and one longer (3.07 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.12 Å. Both Mg(4)-Mg(6) bond lengths are 3.04 Å. In the fifth Mg site, Mg(5) is bonded in a 11-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(6), and one La(1) atom. There is one shorter (3.23 Å) and one longer (3.49 Å) Mg(5)-Mg(6) bond length. The Mg(5)-La(1) bond length is 3.34 Å. In the sixth Mg site, Mg(6) is bonded in a 12-coordinate geometry to one Mg(1), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(7), four equivalent Mg(5), and one La(1) atom. Both Mg(6)-Mg(7) bond lengths are 3.22 Å. The Mg(6)-La(1) bond length is 3.19 Å. In the seventh Mg site, Mg(7) is bonded in a single-bond geometry to two equivalent Mg(6), two equivalent La(1), and one B(1) atom. Both Mg(7)-La(1) bond lengths are 3.66 Å. The Mg(7)-B(1) bond length is 2.62 Å. La(1) is bonded in a 16-coordinate geometry to two equivalent Mg(6), four equivalent Mg(3), four equivalent Mg(5), four equivalent Mg(7), and two equivalent B(1) atoms. Both La(1)-B(1) bond lengths are 3.13 Å. B(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), two equivalent Mg(7), and two equivalent La(1) atoms.