MgTiSnO4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form TiO5 trigonal bipyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids and edges with four equivalent Mg(1)O6 octahedra. Sn(1) is bonded in an L-shaped geometry to one O(1) and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Sn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form corner-sharing OMg2Ti2 tetrahedra.
MgTiSnO4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 43°. There is one shorter (2.20 Å) and one longer (2.35 Å) Mg(1)-O(2) bond length. There is one shorter (2.06 Å) and one longer (2.08 Å) Mg(1)-O(3) bond length. There is one shorter (2.05 Å) and one longer (2.06 Å) Mg(1)-O(4) bond length. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form TiO5 trigonal bipyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids and edges with four equivalent Mg(1)O6 octahedra. The Ti(1)-O(1) bond length is 1.80 Å. There is one shorter (1.92 Å) and one longer (1.95 Å) Ti(1)-O(2) bond length. There is one shorter (1.89 Å) and one longer (2.05 Å) Ti(1)-O(4) bond length. Sn(1) is bonded in an L-shaped geometry to one O(1) and one O(3) atom. The Sn(1)-O(1) bond length is 2.14 Å. The Sn(1)-O(3) bond length is 2.07 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Sn(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Sn(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1) and two equivalent Ti(1) atoms to form corner-sharing OMg2Ti2 tetrahedra.