Mg2Ti2O5 crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form TiO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 65°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Mg(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Ti(2) atom to form corner-sharing OMg2Ti2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(2) atoms to form corner-sharing OMg2Ti2 tetrahedra.
Mg2Ti2O5 crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), two equivalent O(2), and three equivalent O(1) atoms. The Mg(1)-O(3) bond length is 2.06 Å. There is one shorter (2.02 Å) and one longer (2.12 Å) Mg(1)-O(2) bond length. There are a spread of Mg(1)-O(1) bond distances ranging from 2.03-2.67 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. Both Ti(1)-O(2) bond lengths are 2.09 Å. There are two shorter (1.96 Å) and two longer (2.07 Å) Ti(1)-O(1) bond lengths. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form TiO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Ti(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 65°. Both Ti(2)-O(2) bond lengths are 1.95 Å. There is one shorter (1.99 Å) and one longer (2.04 Å) Ti(2)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Mg(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ti(1), and one Ti(2) atom to form corner-sharing OMg2Ti2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Ti(2) atoms to form corner-sharing OMg2Ti2 tetrahedra.