Ba3Ti3O6(BO3)2 crystallizes in the hexagonal P-62m space group. Ba(1) is bonded in a 13-coordinate geometry to two equivalent O(3), three equivalent O(2), and eight equivalent O(1) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-37°. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Ti(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to three equivalent Ba(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Ti(1) atoms.
Ba3Ti3O6(BO3)2 crystallizes in the hexagonal P-62m space group. Ba(1) is bonded in a 13-coordinate geometry to two equivalent O(3), three equivalent O(2), and eight equivalent O(1) atoms. Both Ba(1)-O(3) bond lengths are 2.74 Å. There is one shorter (2.95 Å) and two longer (3.16 Å) Ba(1)-O(2) bond lengths. There are four shorter (2.90 Å) and four longer (3.18 Å) Ba(1)-O(1) bond lengths. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-37°. Both Ti(1)-O(1) bond lengths are 2.13 Å. Both Ti(1)-O(2) bond lengths are 1.95 Å. Both Ti(1)-O(3) bond lengths are 1.90 Å. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All B(1)-O(1) bond lengths are 1.38 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Ba(1), one Ti(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to three equivalent Ba(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Ti(1) atoms.