MgTi4MnNiZnO12 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MgO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. In the second Ti site, Ti(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. In the third Ti site, Ti(3) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. Mn(1) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. Ni(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. Zn(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form distorted ZnO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(2), one Ti(4), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(9)MgTi2Mn trigonal pyramids, corners with two equivalent O(3)Ti2ZnNi trigonal pyramids, and edges with two equivalent O(7)MgTi2Ni trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(3), one Mn(1), and one Zn(1) atom. In the third O site, O(3) is bonded to one Ti(1), one Ti(4), one Ni(1), and one Zn(1) atom to form distorted OTi2ZnNi trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(7)MgTi2Ni trigonal pyramids, and corners with two equivalent O(8)Ti2MnZn trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(2), one Ti(3), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like 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 distorted see-saw-like 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 to one Mg(1), one Ti(2), one Ti(4), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(9)MgTi2Mn trigonal pyramids, corners with two equivalent O(3)Ti2ZnNi trigonal pyramids, and edges with two equivalent O(1)MgTi2Ni trigonal pyramids. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(3), one Mn(1), and one Zn(1) atom to form distorted OTi2MnZn trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(3)Ti2ZnNi trigonal pyramids,  an edgeedge with one O(9)MgTi2Mn trigonal pyramid, and  an edgeedge with one O(12)Ti2MnZn trigonal pyramid. In the ninth O site, O(9) is bonded to one Mg(1), one Ti(2), one Ti(3), and one Mn(1) atom to form distorted OMgTi2Mn trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(7)MgTi2Ni trigonal pyramids,  an edgeedge with one O(12)Ti2MnZn trigonal pyramid, and  an edgeedge with one O(8)Ti2MnZn trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(4), one Ni(1), and one Zn(1) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like 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 to one Ti(2), one Ti(3), one Mn(1), and one Zn(1) atom to form distorted OTi2MnZn trigonal pyramids that share  a cornercorner with one O(9)MgTi2Mn trigonal pyramid,  a cornercorner with one O(1)MgTi2Ni trigonal pyramid,  a cornercorner with one O(7)MgTi2Ni trigonal pyramid,  a cornercorner with one O(8)Ti2MnZn trigonal pyramid,  a cornercorner with one O(3)Ti2ZnNi trigonal pyramid,  an edgeedge with one O(9)MgTi2Mn trigonal pyramid, and  an edgeedge with one O(8)Ti2MnZn trigonal pyramid.
MgTi4MnNiZnO12 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(11), one O(4), one O(5), one O(7), and one O(9) atom to form distorted MgO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. The Mg(1)-O(1) bond length is 2.17 Å. The Mg(1)-O(11) bond length is 2.06 Å. The Mg(1)-O(4) bond length is 2.18 Å. The Mg(1)-O(5) bond length is 2.19 Å. The Mg(1)-O(7) bond length is 2.08 Å. The Mg(1)-O(9) bond length is 2.09 Å. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. The Ti(1)-O(10) bond length is 1.90 Å. The Ti(1)-O(11) bond length is 1.88 Å. The Ti(1)-O(2) bond length is 2.11 Å. The Ti(1)-O(3) bond length is 2.13 Å. The Ti(1)-O(6) bond length is 2.09 Å. The Ti(1)-O(8) bond length is 1.89 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(12), one O(4), one O(5), one O(7), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. The Ti(2)-O(1) bond length is 2.12 Å. The Ti(2)-O(12) bond length is 1.89 Å. The Ti(2)-O(4) bond length is 2.10 Å. The Ti(2)-O(5) bond length is 2.15 Å. The Ti(2)-O(7) bond length is 1.89 Å. The Ti(2)-O(9) bond length is 1.87 Å. In the third Ti site, Ti(3) is bonded to one O(12), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. The Ti(3)-O(12) bond length is 2.12 Å. The Ti(3)-O(2) bond length is 1.88 Å. The Ti(3)-O(4) bond length is 1.88 Å. The Ti(3)-O(5) bond length is 1.88 Å. The Ti(3)-O(8) bond length is 2.16 Å. The Ti(3)-O(9) bond length is 2.12 Å. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(10), one O(11), one O(3), one O(6), and one O(7) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-61°. The Ti(4)-O(1) bond length is 1.87 Å. The Ti(4)-O(10) bond length is 2.15 Å. The Ti(4)-O(11) bond length is 2.15 Å. The Ti(4)-O(3) bond length is 1.88 Å. The Ti(4)-O(6) bond length is 1.87 Å. The Ti(4)-O(7) bond length is 2.11 Å. Mn(1) is bonded to one O(12), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. The Mn(1)-O(12) bond length is 2.27 Å. The Mn(1)-O(2) bond length is 2.12 Å. The Mn(1)-O(4) bond length is 2.12 Å. The Mn(1)-O(6) bond length is 2.10 Å. The Mn(1)-O(8) bond length is 2.24 Å. The Mn(1)-O(9) bond length is 2.26 Å. Ni(1) is bonded to one O(1), one O(10), one O(11), one O(3), one O(5), and one O(7) atom to form NiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. The Ni(1)-O(1) bond length is 2.10 Å. The Ni(1)-O(10) bond length is 2.16 Å. The Ni(1)-O(11) bond length is 2.14 Å. The Ni(1)-O(3) bond length is 2.09 Å. The Ni(1)-O(5) bond length is 2.10 Å. The Ni(1)-O(7) bond length is 2.16 Å. Zn(1) is bonded to one O(10), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form distorted ZnO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. The Zn(1)-O(10) bond length is 2.04 Å. The Zn(1)-O(12) bond length is 2.07 Å. The Zn(1)-O(2) bond length is 2.27 Å. The Zn(1)-O(3) bond length is 2.28 Å. The Zn(1)-O(6) bond length is 2.27 Å. The Zn(1)-O(8) bond length is 2.04 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(2), one Ti(4), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(9)MgTi2Mn trigonal pyramids, corners with two equivalent O(3)Ti2ZnNi trigonal pyramids, and edges with two equivalent O(7)MgTi2Ni trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(3), one Mn(1), and one Zn(1) atom. In the third O site, O(3) is bonded to one Ti(1), one Ti(4), one Ni(1), and one Zn(1) atom to form distorted OTi2ZnNi trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(7)MgTi2Ni trigonal pyramids, and corners with two equivalent O(8)Ti2MnZn trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(2), one Ti(3), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like 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 distorted see-saw-like 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 to one Mg(1), one Ti(2), one Ti(4), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(9)MgTi2Mn trigonal pyramids, corners with two equivalent O(3)Ti2ZnNi trigonal pyramids, and edges with two equivalent O(1)MgTi2Ni trigonal pyramids. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(3), one Mn(1), and one Zn(1) atom to form distorted OTi2MnZn trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(3)Ti2ZnNi trigonal pyramids,  an edgeedge with one O(9)MgTi2Mn trigonal pyramid, and  an edgeedge with one O(12)Ti2MnZn trigonal pyramid. In the ninth O site, O(9) is bonded to one Mg(1), one Ti(2), one Ti(3), and one Mn(1) atom to form distorted OMgTi2Mn trigonal pyramids that share  a cornercorner with one O(12)Ti2MnZn trigonal pyramid, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(7)MgTi2Ni trigonal pyramids,  an edgeedge with one O(12)Ti2MnZn trigonal pyramid, and  an edgeedge with one O(8)Ti2MnZn trigonal pyramid. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(4), one Ni(1), and one Zn(1) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like 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 to one Ti(2), one Ti(3), one Mn(1), and one Zn(1) atom to form distorted OTi2MnZn trigonal pyramids that share  a cornercorner with one O(9)MgTi2Mn trigonal pyramid,  a cornercorner with one O(1)MgTi2Ni trigonal pyramid,  a cornercorner with one O(7)MgTi2Ni trigonal pyramid,  a cornercorner with one O(8)Ti2MnZn trigonal pyramid,  a cornercorner with one O(3)Ti2ZnNi trigonal pyramid,  an edgeedge with one O(9)MgTi2Mn trigonal pyramid, and  an edgeedge with one O(8)Ti2MnZn trigonal pyramid.