LiBa2Ti11O24 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(11), one O(12), one O(22), one O(3), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(10)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(16), one O(17), one O(2), one O(22), one O(23), one O(7), and one O(9) atom. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one O(18), one O(24), one O(3), and one O(8) atom. There are eleven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(11), one O(2), one O(24), one O(3), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(11)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(23), and one O(4) atom to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(10)O6 octahedra, and  an edgeedge with one Ti(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. In the third Ti site, Ti(3) is bonded to one O(13), one O(16), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(11)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  an edgeedge with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. In the fourth Ti site, Ti(4) is bonded to one O(14), one O(17), one O(4), one O(6), 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 45-50°. In the fifth Ti site, Ti(5) is bonded to one O(15), one O(18), one O(5), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  an edgeedge with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(16), one O(17), one O(20), one O(21), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(11)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  an edgeedge with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. In the seventh Ti site, Ti(7) is bonded to one O(10), one O(17), one O(18), one O(19), one O(21), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the eighth Ti site, Ti(8) is bonded to one O(11), one O(16), one O(18), one O(19), one O(20), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. In the ninth Ti site, Ti(9) is bonded to one O(14), one O(15), one O(19), one O(22), one O(24), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(10)O6 octahedra, and  an edgeedge with one Ti(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the tenth Ti site, Ti(10) is bonded to one O(1), one O(13), one O(15), one O(20), one O(22), and one O(23) atom to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(11)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the eleventh Ti site, Ti(11) is bonded to one O(13), one O(14), one O(2), one O(21), one O(23), and one O(24) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), one Ti(10), and one Ti(2) atom. In the second O site, O(2) is bonded to one Ba(1), one Ti(1), one Ti(11), and one Ti(2) atom to form a mixture of distorted corner and edge-sharing OBaTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ba(2), one Ti(1), and one Ti(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(3), and one Ti(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(3), and one Ti(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(4), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(3), one Ti(4), and one Ti(6) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Ti(4), one Ti(5), and one Ti(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(3), one Ti(5), and one Ti(8) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one Ti(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(2), and one Ti(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ti(10), one Ti(11), and one Ti(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ti(11), one Ti(4), and one Ti(9) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ti(10), one Ti(5), and one Ti(9) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(3), one Ti(6), and one Ti(8) atom. In the seventeenth O site, O(17) is bonded to one Ba(1), one Ti(4), one Ti(6), and one Ti(7) atom to form distorted corner-sharing OBaTi3 trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Ba(2), one Ti(5), one Ti(7), and one Ti(8) atom to form distorted corner-sharing OBaTi3 trigonal pyramids. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Ti(7), one Ti(8), and one Ti(9) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Ti(10), one Ti(6), and one Ti(8) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Ti(11), one Ti(6), and one Ti(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), one Ti(10), and one Ti(9) atom. In the twenty-third O site, O(23) is bonded to one Ba(1), one Ti(10), one Ti(11), and one Ti(2) atom to form a mixture of distorted corner and edge-sharing OBaTi3 trigonal pyramids. In the twenty-fourth O site, O(24) is bonded to one Ba(2), one Ti(1), one Ti(11), and one Ti(9) atom to form a mixture of distorted corner and edge-sharing OBaTi3 trigonal pyramids.
LiBa2Ti11O24 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(11), one O(12), one O(22), one O(3), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(10)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-58°. The Li(1)-O(1) bond length is 2.30 Å. The Li(1)-O(11) bond length is 2.05 Å. The Li(1)-O(12) bond length is 2.03 Å. The Li(1)-O(22) bond length is 2.18 Å. The Li(1)-O(3) bond length is 2.20 Å. The Li(1)-O(5) bond length is 2.00 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(16), one O(17), one O(2), one O(22), one O(23), one O(7), and one O(9) atom. The Ba(1)-O(1) bond length is 3.06 Å. The Ba(1)-O(16) bond length is 3.28 Å. The Ba(1)-O(17) bond length is 2.79 Å. The Ba(1)-O(2) bond length is 2.74 Å. The Ba(1)-O(22) bond length is 3.24 Å. The Ba(1)-O(23) bond length is 2.78 Å. The Ba(1)-O(7) bond length is 2.78 Å. The Ba(1)-O(9) bond length is 3.25 Å. In the second Ba site, Ba(2) is bonded in a 4-coordinate geometry to one O(18), one O(24), one O(3), and one O(8) atom. The Ba(2)-O(18) bond length is 2.78 Å. The Ba(2)-O(24) bond length is 2.80 Å. The Ba(2)-O(3) bond length is 2.71 Å. The Ba(2)-O(8) bond length is 2.80 Å. There are eleven inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(11), one O(2), one O(24), one O(3), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(11)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-54°. The Ti(1)-O(10) bond length is 2.07 Å. The Ti(1)-O(11) bond length is 1.90 Å. The Ti(1)-O(2) bond length is 2.03 Å. The Ti(1)-O(24) bond length is 2.07 Å. The Ti(1)-O(3) bond length is 1.89 Å. The Ti(1)-O(6) bond length is 1.93 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(23), and one O(4) atom to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(10)O6 octahedra, and  an edgeedge with one Ti(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. The Ti(2)-O(1) bond length is 1.95 Å. The Ti(2)-O(10) bond length is 2.02 Å. The Ti(2)-O(12) bond length is 1.88 Å. The Ti(2)-O(2) bond length is 2.06 Å. The Ti(2)-O(23) bond length is 2.05 Å. The Ti(2)-O(4) bond length is 1.95 Å. In the third Ti site, Ti(3) is bonded to one O(13), one O(16), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(11)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  an edgeedge with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-55°. The Ti(3)-O(13) bond length is 1.94 Å. The Ti(3)-O(16) bond length is 2.03 Å. The Ti(3)-O(4) bond length is 1.97 Å. The Ti(3)-O(5) bond length is 1.88 Å. The Ti(3)-O(7) bond length is 2.09 Å. The Ti(3)-O(9) bond length is 2.03 Å. In the fourth Ti site, Ti(4) is bonded to one O(14), one O(17), one O(4), one O(6), 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 45-50°. The Ti(4)-O(14) bond length is 1.90 Å. The Ti(4)-O(17) bond length is 2.04 Å. The Ti(4)-O(4) bond length is 2.04 Å. The Ti(4)-O(6) bond length is 2.02 Å. The Ti(4)-O(7) bond length is 1.95 Å. The Ti(4)-O(8) bond length is 1.94 Å. In the fifth Ti site, Ti(5) is bonded to one O(15), one O(18), one O(5), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  an edgeedge with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Ti(5)-O(15) bond length is 1.97 Å. The Ti(5)-O(18) bond length is 1.98 Å. The Ti(5)-O(5) bond length is 1.88 Å. The Ti(5)-O(6) bond length is 1.97 Å. The Ti(5)-O(8) bond length is 2.07 Å. The Ti(5)-O(9) bond length is 2.02 Å. In the sixth Ti site, Ti(6) is bonded to one O(12), one O(16), one O(17), one O(20), one O(21), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(11)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  an edgeedge with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. The Ti(6)-O(12) bond length is 1.86 Å. The Ti(6)-O(16) bond length is 2.01 Å. The Ti(6)-O(17) bond length is 2.05 Å. The Ti(6)-O(20) bond length is 1.94 Å. The Ti(6)-O(21) bond length is 2.00 Å. The Ti(6)-O(7) bond length is 2.09 Å. In the seventh Ti site, Ti(7) is bonded to one O(10), one O(17), one O(18), one O(19), one O(21), and one O(8) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. The Ti(7)-O(10) bond length is 1.88 Å. The Ti(7)-O(17) bond length is 1.99 Å. The Ti(7)-O(18) bond length is 1.99 Å. The Ti(7)-O(19) bond length is 1.97 Å. The Ti(7)-O(21) bond length is 2.00 Å. The Ti(7)-O(8) bond length is 2.11 Å. In the eighth Ti site, Ti(8) is bonded to one O(11), one O(16), one O(18), one O(19), one O(20), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(10)O6 octahedra,  a cornercorner with one Ti(9)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. The Ti(8)-O(11) bond length is 1.85 Å. The Ti(8)-O(16) bond length is 2.06 Å. The Ti(8)-O(18) bond length is 2.10 Å. The Ti(8)-O(19) bond length is 1.98 Å. The Ti(8)-O(20) bond length is 1.95 Å. The Ti(8)-O(9) bond length is 2.10 Å. In the ninth Ti site, Ti(9) is bonded to one O(14), one O(15), one O(19), one O(22), one O(24), and one O(3) atom to form TiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(10)O6 octahedra, and  an edgeedge with one Ti(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The Ti(9)-O(14) bond length is 2.06 Å. The Ti(9)-O(15) bond length is 1.98 Å. The Ti(9)-O(19) bond length is 2.00 Å. The Ti(9)-O(22) bond length is 1.92 Å. The Ti(9)-O(24) bond length is 2.00 Å. The Ti(9)-O(3) bond length is 1.95 Å. In the tenth Ti site, Ti(10) is bonded to one O(1), one O(13), one O(15), one O(20), one O(22), and one O(23) atom to form TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(11)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. The Ti(10)-O(1) bond length is 1.91 Å. The Ti(10)-O(13) bond length is 2.06 Å. The Ti(10)-O(15) bond length is 1.97 Å. The Ti(10)-O(20) bond length is 2.06 Å. The Ti(10)-O(22) bond length is 1.93 Å. The Ti(10)-O(23) bond length is 2.02 Å. In the eleventh Ti site, Ti(11) is bonded to one O(13), one O(14), one O(2), one O(21), one O(23), and one O(24) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Ti(11)-O(13) bond length is 1.97 Å. The Ti(11)-O(14) bond length is 1.98 Å. The Ti(11)-O(2) bond length is 2.02 Å. The Ti(11)-O(21) bond length is 1.93 Å. The Ti(11)-O(23) bond length is 2.00 Å. The Ti(11)-O(24) bond length is 2.01 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), one Ti(10), and one Ti(2) atom. In the second O site, O(2) is bonded to one Ba(1), one Ti(1), one Ti(11), and one Ti(2) atom to form a mixture of distorted corner and edge-sharing OBaTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ba(2), one Ti(1), and one Ti(9) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(3), and one Ti(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(3), and one Ti(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(4), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(3), one Ti(4), and one Ti(6) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), one Ti(4), one Ti(5), and one Ti(7) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(3), one Ti(5), and one Ti(8) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(7) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(1), and one Ti(8) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Ti(2), and one Ti(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ti(10), one Ti(11), and one Ti(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Ti(11), one Ti(4), and one Ti(9) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ti(10), one Ti(5), and one Ti(9) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(3), one Ti(6), and one Ti(8) atom. In the seventeenth O site, O(17) is bonded to one Ba(1), one Ti(4), one Ti(6), and one Ti(7) atom to form distorted corner-sharing OBaTi3 trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Ba(2), one Ti(5), one Ti(7), and one Ti(8) atom to form distorted corner-sharing OBaTi3 trigonal pyramids. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Ti(7), one Ti(8), and one Ti(9) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Ti(10), one Ti(6), and one Ti(8) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Ti(11), one Ti(6), and one Ti(7) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), one Ti(10), and one Ti(9) atom. In the twenty-third O site, O(23) is bonded to one Ba(1), one Ti(10), one Ti(11), and one Ti(2) atom to form a mixture of distorted corner and edge-sharing OBaTi3 trigonal pyramids. In the twenty-fourth O site, O(24) is bonded to one Ba(2), one Ti(1), one Ti(11), and one Ti(9) atom to form a mixture of distorted corner and edge-sharing OBaTi3 trigonal pyramids.