Mg14CoB 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 distorted edge, face, and corner-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 edge, face, and corner-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a distorted L-shaped geometry to one Co(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(6), and two equivalent Mg(7) atoms. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Co(1), and one B(1) atom. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(4), and one Co(1) atom. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(4), and one B(1) atom. Co(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), and four equivalent Mg(5) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(7), and four equivalent Mg(5) atoms.
Mg14CoB 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 distorted edge, face, and corner-sharing MgMg12 cuboctahedra. Both Mg(1)-Mg(2) bond lengths are 3.23 Å. Both Mg(1)-Mg(6) bond lengths are 3.03 Å. There are two shorter (3.05 Å) and two longer (3.28 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.46 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 edge, face, and corner-sharing MgMg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.04 Å. There are two shorter (3.06 Å) and two longer (3.27 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.41 Å. In the third Mg site, Mg(3) is bonded in a distorted L-shaped geometry to one Co(1) and one B(1) atom. The Mg(3)-Co(1) bond length is 2.59 Å. The Mg(3)-B(1) bond length is 2.43 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(6), and two equivalent Mg(7) atoms. There is one shorter (3.22 Å) and one longer (3.24 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(6) bond lengths are 3.03 Å. Both Mg(4)-Mg(7) bond lengths are 3.00 Å. In the fifth Mg site, Mg(5) is bonded in a 2-coordinate geometry to one Mg(1), one Mg(2), one Co(1), and one B(1) atom. The Mg(5)-Co(1) bond length is 2.63 Å. The Mg(5)-B(1) bond length is 2.61 Å. In the sixth Mg site, Mg(6) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(4), and one Co(1) atom. The Mg(6)-Co(1) bond length is 2.84 Å. In the seventh Mg site, Mg(7) is bonded in a distorted single-bond geometry to one Mg(2), two equivalent Mg(4), and one B(1) atom. The Mg(7)-B(1) bond length is 2.82 Å. Co(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(6), and four equivalent Mg(5) atoms. B(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(7), and four equivalent Mg(5) atoms.