Mg14GaB 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 a mixture of face, corner, and edge-sharing MgMg12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of distorted face, corner, and edge-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(6), two equivalent Mg(7), two equivalent Ga(1), and one B(1) atom. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form a mixture of distorted face, corner, and edge-sharing MgMg12 cuboctahedra. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(6), two equivalent Mg(7), one Ga(1), and one B(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 B(1) atom. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Ga(1) atom. Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms. B(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), and four equivalent Mg(5) atoms.
Mg14GaB 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 a mixture of face, corner, and edge-sharing MgMg12 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.36 Å. Both Mg(1)-Mg(6) bond lengths are 3.13 Å. There are two shorter (3.04 Å) and two longer (3.13 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.29 Å. In the second Mg site, Mg(2) is bonded to two equivalent Mg(1), two equivalent Mg(7), four equivalent Mg(4), and four equivalent Mg(5) atoms to form a mixture of distorted face, corner, and edge-sharing MgMg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.07 Å. There are two shorter (3.01 Å) and two longer (3.17 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.45 Å. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to two equivalent Mg(6), two equivalent Mg(7), two equivalent Ga(1), and one B(1) atom. Both Mg(3)-Mg(6) bond lengths are 2.92 Å. Both Mg(3)-Mg(7) bond lengths are 2.98 Å. There is one shorter (2.85 Å) and one longer (3.33 Å) Mg(3)-Ga(1) bond length. The Mg(3)-B(1) bond length is 2.47 Å. In the fourth Mg site, Mg(4) is bonded to two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), two equivalent Mg(5), two equivalent Mg(6), and two equivalent Mg(7) atoms to form a mixture of distorted face, corner, and edge-sharing MgMg12 cuboctahedra. There is one shorter (3.28 Å) and one longer (3.43 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.46 Å. Both Mg(4)-Mg(6) bond lengths are 3.02 Å. Both Mg(4)-Mg(7) bond lengths are 3.02 Å. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), two equivalent Mg(6), two equivalent Mg(7), one Ga(1), and one B(1) atom. There is one shorter (3.06 Å) and one longer (3.19 Å) Mg(5)-Mg(6) bond length. There is one shorter (3.10 Å) and one longer (3.16 Å) Mg(5)-Mg(7) bond length. The Mg(5)-Ga(1) bond length is 2.75 Å. The Mg(5)-B(1) bond length is 2.65 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 B(1) atom. Both Mg(6)-Mg(7) bond lengths are 3.36 Å. The Mg(6)-B(1) bond length is 2.92 Å. In the seventh Mg site, Mg(7) is bonded in a 12-coordinate geometry to one Mg(2), two equivalent Mg(3), two equivalent Mg(4), two equivalent Mg(6), four equivalent Mg(5), and one Ga(1) atom. The Mg(7)-Ga(1) bond length is 3.08 Å. Ga(1) is bonded in a 10-coordinate geometry to two equivalent Mg(7), four equivalent Mg(3), and four equivalent Mg(5) atoms. B(1) is bonded in a 6-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), and four equivalent Mg(5) atoms.