MgTi4MnNiZnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(11), one O(4), one O(5), and one O(7) atom. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one O(10), one O(11), one O(2), one O(6), and one O(8) atom. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one O(1), one O(12), one O(5), one O(7), and one O(9) atom. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to one O(12), one O(2), one O(4), one O(5), and one O(8) atom. In the fourth Ti site, Ti(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), one O(6), and one O(7) atom. Mn(1) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(6), and one O(9) atom. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(11), and one O(5) atom. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(3), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(4), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(4) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(2), one Ti(3), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(4), one Mn(1), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Zn(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ti(2) and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Mn(1), and one Zn(1) atom.
MgTi4MnNiZnO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(11), one O(4), one O(5), and one O(7) atom. The Mg(1)-O(11) bond length is 1.92 Å. The Mg(1)-O(4) bond length is 1.73 Å. The Mg(1)-O(5) bond length is 2.13 Å. The Mg(1)-O(7) bond length is 2.10 Å. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one O(10), one O(11), one O(2), one O(6), and one O(8) atom. The Ti(1)-O(10) bond length is 1.71 Å. The Ti(1)-O(11) bond length is 2.19 Å. The Ti(1)-O(2) bond length is 2.15 Å. The Ti(1)-O(6) bond length is 1.90 Å. The Ti(1)-O(8) bond length is 2.34 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one O(1), one O(12), one O(5), one O(7), and one O(9) atom. The Ti(2)-O(1) bond length is 2.15 Å. The Ti(2)-O(12) bond length is 2.23 Å. The Ti(2)-O(5) bond length is 1.93 Å. The Ti(2)-O(7) bond length is 2.34 Å. The Ti(2)-O(9) bond length is 1.69 Å. In the third Ti site, Ti(3) is bonded in a 2-coordinate geometry to one O(12), one O(2), one O(4), one O(5), and one O(8) atom. The Ti(3)-O(12) bond length is 1.91 Å. The Ti(3)-O(2) bond length is 2.35 Å. The Ti(3)-O(4) bond length is 1.68 Å. The Ti(3)-O(5) bond length is 2.20 Å. The Ti(3)-O(8) bond length is 2.21 Å. In the fourth Ti site, Ti(4) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), one O(6), and one O(7) atom. The Ti(4)-O(1) bond length is 2.31 Å. The Ti(4)-O(11) bond length is 1.94 Å. The Ti(4)-O(3) bond length is 1.69 Å. The Ti(4)-O(6) bond length is 2.21 Å. The Ti(4)-O(7) bond length is 2.13 Å. Mn(1) is bonded in a 4-coordinate geometry to one O(12), one O(2), one O(6), and one O(9) atom. The Mn(1)-O(12) bond length is 2.19 Å. The Mn(1)-O(2) bond length is 2.13 Å. The Mn(1)-O(6) bond length is 1.98 Å. The Mn(1)-O(9) bond length is 1.79 Å. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(10), one O(11), and one O(5) atom. The Ni(1)-O(1) bond length is 2.11 Å. The Ni(1)-O(10) bond length is 1.72 Å. The Ni(1)-O(11) bond length is 2.09 Å. The Ni(1)-O(5) bond length is 1.93 Å. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(3), one O(6), and one O(8) atom. The Zn(1)-O(12) bond length is 1.96 Å. The Zn(1)-O(3) bond length is 1.78 Å. The Zn(1)-O(6) bond length is 2.18 Å. The Zn(1)-O(8) bond length is 2.07 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(2), one Ti(4), and one Ni(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ti(4) and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Ti(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(2), one Ti(3), and one Ni(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(4), one Mn(1), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Ti(2), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Zn(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Ti(2) and one Mn(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ni(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(3), one Mn(1), and one Zn(1) atom.