BaTi4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted corner-sharing TiO4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing TiO4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ti(2) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Ti(2) and three equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Ba(1) and two equivalent Ti(1) atoms.
BaTi4O7 crystallizes in the hexagonal P6_3mc space group. Ba(1) is bonded in a 3-coordinate geometry to three equivalent O(3) atoms. All Ba(1)-O(3) bond lengths are 2.65 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted corner-sharing TiO4 tetrahedra. The Ti(1)-O(1) bond length is 1.88 Å. The Ti(1)-O(2) bond length is 2.26 Å. Both Ti(1)-O(3) bond lengths are 1.88 Å. In the second Ti site, Ti(2) is bonded to one O(2) and three equivalent O(1) atoms to form corner-sharing TiO4 tetrahedra. The Ti(2)-O(2) bond length is 1.95 Å. All Ti(2)-O(1) bond lengths are 1.85 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ti(1) and one Ti(2) atom. In the second O site, O(2) is bonded in a tetrahedral geometry to one Ti(2) and three equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Ba(1) and two equivalent Ti(1) atoms.