MgTiMn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Mn(1), and one Mn(2) atom.
MgTiMn3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. Both Mg(1)-O(1) bond lengths are 2.12 Å. All Mg(1)-O(3) bond lengths are 2.14 Å. Ti(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. Both Ti(1)-O(2) bond lengths are 2.02 Å. All Ti(1)-O(3) bond lengths are 1.98 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-15°. Both Mn(1)-O(1) bond lengths are 2.18 Å. All Mn(1)-O(3) bond lengths are 2.17 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. Both Mn(2)-O(1) bond lengths are 1.95 Å. Both Mn(2)-O(2) bond lengths are 1.99 Å. Both Mn(2)-O(3) bond lengths are 1.95 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Mn(1), and one Mn(2) atom.