MgTi2Zn4O8 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Ti(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share edges with two equivalent Ti(1)O5 trigonal bipyramids and edges with two equivalent Zn(2)O5 trigonal bipyramids. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share edges with two equivalent Ti(1)O5 trigonal bipyramids and edges with two equivalent Zn(2)O5 trigonal bipyramids. In the third Zn site, Zn(3) is bonded in an L-shaped geometry to two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Zn(1), and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1), one Zn(2), and one Zn(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Zn(2) atoms.
MgTi2Zn4O8 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Mg(1)-O(1) bond lengths are 1.96 Å. Both Mg(1)-O(2) bond lengths are 2.03 Å. Ti(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share edges with two equivalent Ti(1)O5 trigonal bipyramids and edges with two equivalent Zn(2)O5 trigonal bipyramids. The Ti(1)-O(4) bond length is 1.78 Å. Both Ti(1)-O(2) bond lengths are 2.00 Å. Both Ti(1)-O(3) bond lengths are 2.01 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a linear geometry to two equivalent O(1) atoms. Both Zn(1)-O(1) bond lengths are 1.79 Å. In the second Zn site, Zn(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted ZnO5 trigonal bipyramids that share edges with two equivalent Ti(1)O5 trigonal bipyramids and edges with two equivalent Zn(2)O5 trigonal bipyramids. The Zn(2)-O(3) bond length is 2.07 Å. Both Zn(2)-O(1) bond lengths are 2.07 Å. Both Zn(2)-O(4) bond lengths are 2.12 Å. In the third Zn site, Zn(3) is bonded in an L-shaped geometry to two equivalent O(3) atoms. Both Zn(3)-O(3) bond lengths are 2.43 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Zn(1), and two equivalent Zn(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ti(1), one Zn(2), and one Zn(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Zn(2) atoms.