Mg14CoNi 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 face, corner, and edge-sharing MgMg12 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to one Co(1) and one Ni(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 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), one Co(1), and one Ni(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 Ni(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. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(7), and four equivalent Mg(5) atoms.
Mg14CoNi 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 3.18 Å. Both Mg(1)-Mg(6) bond lengths are 3.02 Å. There are two shorter (3.05 Å) and two longer (3.15 Å) Mg(1)-Mg(4) bond lengths. All Mg(1)-Mg(5) bond lengths are 3.27 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 face, corner, and edge-sharing MgMg12 cuboctahedra. Both Mg(2)-Mg(7) bond lengths are 3.03 Å. There are two shorter (3.04 Å) and two longer (3.16 Å) Mg(2)-Mg(4) bond lengths. All Mg(2)-Mg(5) bond lengths are 3.28 Å. In the third Mg site, Mg(3) is bonded in a 2-coordinate geometry to one Co(1) and one Ni(1) atom. The Mg(3)-Co(1) bond length is 2.72 Å. The Mg(3)-Ni(1) bond length is 2.72 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 face, corner, and edge-sharing MgMg12 cuboctahedra. There is one shorter (3.17 Å) and one longer (3.19 Å) Mg(4)-Mg(4) bond length. Both Mg(4)-Mg(5) bond lengths are 3.35 Å. Both Mg(4)-Mg(6) bond lengths are 3.04 Å. Both Mg(4)-Mg(7) bond lengths are 3.04 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), one Co(1), and one Ni(1) atom. The Mg(5)-Co(1) bond length is 2.72 Å. The Mg(5)-Ni(1) bond length is 2.73 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 2.88 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 Ni(1) atom. The Mg(7)-Ni(1) bond length is 2.88 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. Ni(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(7), and four equivalent Mg(5) atoms.