BaTi8O16 crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(15), two equivalent O(16), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(13), two equivalent O(14), two equivalent O(2), and two equivalent O(4) atoms. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Ti site, Ti(2) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the third Ti site, Ti(3) is bonded to one O(1), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(13), one O(14), one O(15), one O(3), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(13), one O(14), one O(16), one O(4), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the seventh Ti site, Ti(7) is bonded to one O(11), one O(12), one O(13), one O(15), one O(16), and one O(6) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the eighth Ti site, Ti(8) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(5) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(2), one Ti(1), one Ti(2), and one Ti(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), one Ti(1), one Ti(2), and one Ti(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(4), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ti(3), one Ti(4), and one Ti(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ti(1), one Ti(2), and one Ti(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(7) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(2), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(1), one Ti(3), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(5), and one Ti(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(4), one Ti(5), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(7), and one Ti(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(7), and one Ti(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ti(5), one Ti(6), and one Ti(7) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ba(2), one Ti(5), one Ti(6), and one Ti(8) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(5), one Ti(7), and one Ti(8) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(6), one Ti(7), and one Ti(8) atom.
BaTi8O16 crystallizes in the monoclinic C2 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(15), two equivalent O(16), two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. Both Ba(1)-O(15) bond lengths are 2.93 Å. Both Ba(1)-O(16) bond lengths are 3.02 Å. Both Ba(1)-O(5) bond lengths are 3.20 Å. Both Ba(1)-O(7) bond lengths are 2.91 Å. Both Ba(1)-O(8) bond lengths are 3.05 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(13), two equivalent O(14), two equivalent O(2), and two equivalent O(4) atoms. Both Ba(2)-O(1) bond lengths are 2.93 Å. Both Ba(2)-O(13) bond lengths are 3.06 Å. Both Ba(2)-O(14) bond lengths are 2.90 Å. Both Ba(2)-O(2) bond lengths are 3.02 Å. Both Ba(2)-O(4) bond lengths are 3.20 Å. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(6), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Ti(1)-O(1) bond length is 1.98 Å. The Ti(1)-O(11) bond length is 1.93 Å. The Ti(1)-O(2) bond length is 2.00 Å. The Ti(1)-O(5) bond length is 2.02 Å. The Ti(1)-O(6) bond length is 2.01 Å. The Ti(1)-O(8) bond length is 2.04 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Ti(2)-O(1) bond length is 2.03 Å. The Ti(2)-O(12) bond length is 1.96 Å. The Ti(2)-O(2) bond length is 2.03 Å. The Ti(2)-O(5) bond length is 1.97 Å. The Ti(2)-O(6) bond length is 1.97 Å. The Ti(2)-O(7) bond length is 2.03 Å. In the third Ti site, Ti(3) is bonded to one O(1), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Ti(3)-O(1) bond length is 2.04 Å. The Ti(3)-O(3) bond length is 2.01 Å. The Ti(3)-O(4) bond length is 2.03 Å. The Ti(3)-O(7) bond length is 1.99 Å. The Ti(3)-O(8) bond length is 1.97 Å. The Ti(3)-O(9) bond length is 1.93 Å. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. The Ti(4)-O(10) bond length is 1.97 Å. The Ti(4)-O(2) bond length is 2.02 Å. The Ti(4)-O(3) bond length is 1.96 Å. The Ti(4)-O(4) bond length is 1.96 Å. The Ti(4)-O(7) bond length is 2.04 Å. The Ti(4)-O(8) bond length is 2.03 Å. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(13), one O(14), one O(15), one O(3), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Ti(5)-O(10) bond length is 2.02 Å. The Ti(5)-O(13) bond length is 1.97 Å. The Ti(5)-O(14) bond length is 1.99 Å. The Ti(5)-O(15) bond length is 2.05 Å. The Ti(5)-O(3) bond length is 1.93 Å. The Ti(5)-O(9) bond length is 2.01 Å. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(13), one O(14), one O(16), one O(4), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Ti(6)-O(10) bond length is 1.95 Å. The Ti(6)-O(13) bond length is 2.03 Å. The Ti(6)-O(14) bond length is 2.05 Å. The Ti(6)-O(16) bond length is 2.01 Å. The Ti(6)-O(4) bond length is 1.98 Å. The Ti(6)-O(9) bond length is 1.96 Å. In the seventh Ti site, Ti(7) is bonded to one O(11), one O(12), one O(13), one O(15), one O(16), and one O(6) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Ti(7)-O(11) bond length is 2.02 Å. The Ti(7)-O(12) bond length is 2.02 Å. The Ti(7)-O(13) bond length is 2.04 Å. The Ti(7)-O(15) bond length is 1.97 Å. The Ti(7)-O(16) bond length is 1.99 Å. The Ti(7)-O(6) bond length is 1.93 Å. In the eighth Ti site, Ti(8) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(5) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. The Ti(8)-O(11) bond length is 1.96 Å. The Ti(8)-O(12) bond length is 1.95 Å. The Ti(8)-O(14) bond length is 2.02 Å. The Ti(8)-O(15) bond length is 2.04 Å. The Ti(8)-O(16) bond length is 2.04 Å. The Ti(8)-O(5) bond length is 1.98 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(2), one Ti(1), one Ti(2), and one Ti(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(2), one Ti(1), one Ti(2), and one Ti(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(4), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ba(2), one Ti(3), one Ti(4), and one Ti(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Ti(1), one Ti(2), and one Ti(8) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(7) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(2), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(1), one Ti(3), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(5), and one Ti(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(4), one Ti(5), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(7), and one Ti(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(7), and one Ti(8) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ba(2), one Ti(5), one Ti(6), and one Ti(7) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Ba(2), one Ti(5), one Ti(6), and one Ti(8) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(5), one Ti(7), and one Ti(8) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(6), one Ti(7), and one Ti(8) atom.