Ba2Ti11O24 crystallizes in the triclinic P1 space group. 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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 edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. In the seventh Ti site, Ti(7) 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 a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In the eighth Ti site, Ti(8) 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 edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. 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 edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ba(1), one Ti(10), and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(1), one Ti(11), and one Ti(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to 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 water-like geometry to 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(8) 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(7) 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(8) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(7) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to 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 3-coordinate 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(7) atom. In the seventeenth O site, O(17) is bonded to one Ba(1), one Ti(4), one Ti(6), and one Ti(8) 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 tetrahedra. 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(7) 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(8) atom. In the twenty-second O site, O(22) is bonded in a water-like geometry to 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 distorted corner-sharing OBaTi3 trigonal pyramids. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ba(2), one Ti(1), one Ti(11), and one Ti(9) atom.
Ba2Ti11O24 crystallizes in the triclinic P1 space group. 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 2.99 Å. The Ba(1)-O(16) bond length is 3.31 Å. The Ba(1)-O(17) bond length is 2.81 Å. The Ba(1)-O(2) bond length is 2.77 Å. The Ba(1)-O(22) bond length is 3.21 Å. The Ba(1)-O(23) bond length is 2.77 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 2.82 Å. The Ba(2)-O(24) bond length is 2.85 Å. The Ba(2)-O(3) bond length is 2.66 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. The Ti(1)-O(10) bond length is 2.11 Å. The Ti(1)-O(11) bond length is 1.86 Å. The Ti(1)-O(2) bond length is 2.05 Å. The Ti(1)-O(24) bond length is 2.10 Å. The Ti(1)-O(3) bond length is 1.88 Å. The Ti(1)-O(6) bond length is 1.92 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. The Ti(2)-O(1) bond length is 1.95 Å. The Ti(2)-O(10) bond length is 2.03 Å. The Ti(2)-O(12) bond length is 1.85 Å. The Ti(2)-O(2) bond length is 2.09 Å. The Ti(2)-O(23) bond length is 2.10 Å. The Ti(2)-O(4) bond length is 1.91 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. The Ti(3)-O(13) bond length is 1.94 Å. The Ti(3)-O(16) bond length is 2.04 Å. The Ti(3)-O(4) bond length is 1.98 Å. The Ti(3)-O(5) bond length is 1.85 Å. The Ti(3)-O(7) bond length is 2.12 Å. The Ti(3)-O(9) bond length is 2.02 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 edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. 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 2.08 Å. The Ti(4)-O(6) bond length is 2.04 Å. The Ti(4)-O(7) bond length is 1.93 Å. The Ti(4)-O(8) bond length is 1.91 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. 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 1.85 Å. The Ti(5)-O(6) bond length is 1.97 Å. The Ti(5)-O(8) bond length is 2.11 Å. The Ti(5)-O(9) bond length is 2.03 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. The Ti(6)-O(12) bond length is 1.83 Å. The Ti(6)-O(16) bond length is 2.02 Å. The Ti(6)-O(17) bond length is 2.06 Å. The Ti(6)-O(20) bond length is 1.93 Å. The Ti(6)-O(21) bond length is 1.98 Å. The Ti(6)-O(7) bond length is 2.11 Å. In the seventh Ti site, Ti(7) 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 a mixture of distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. The Ti(7)-O(11) bond length is 1.82 Å. The Ti(7)-O(16) bond length is 2.05 Å. The Ti(7)-O(18) bond length is 2.11 Å. The Ti(7)-O(19) bond length is 1.96 Å. The Ti(7)-O(20) bond length is 1.93 Å. The Ti(7)-O(9) bond length is 2.12 Å. In the eighth Ti site, Ti(8) 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 edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Ti(8)-O(10) bond length is 1.86 Å. The Ti(8)-O(17) bond length is 1.99 Å. The Ti(8)-O(18) bond length is 1.99 Å. The Ti(8)-O(19) bond length is 1.97 Å. The Ti(8)-O(21) bond length is 1.99 Å. The Ti(8)-O(8) bond length is 2.14 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. The Ti(9)-O(14) bond length is 2.10 Å. The Ti(9)-O(15) bond length is 2.00 Å. The Ti(9)-O(19) bond length is 2.03 Å. The Ti(9)-O(22) bond length is 1.88 Å. The Ti(9)-O(24) bond length is 1.98 Å. The Ti(9)-O(3) bond length is 1.91 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 a mixture of edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. The Ti(10)-O(1) bond length is 1.88 Å. The Ti(10)-O(13) bond length is 2.10 Å. The Ti(10)-O(15) bond length is 1.97 Å. The Ti(10)-O(20) bond length is 2.12 Å. The Ti(10)-O(22) bond length is 1.90 Å. The Ti(10)-O(23) bond length is 1.98 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 edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. The Ti(11)-O(13) bond length is 1.96 Å. The Ti(11)-O(14) bond length is 1.95 Å. The Ti(11)-O(2) bond length is 1.98 Å. The Ti(11)-O(21) bond length is 1.95 Å. The Ti(11)-O(23) bond length is 2.02 Å. The Ti(11)-O(24) bond length is 2.02 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Ba(1), one Ti(10), and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(1), one Ti(11), and one Ti(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to 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 water-like geometry to 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(8) 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(7) 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(8) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(7) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to 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 3-coordinate 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(7) atom. In the seventeenth O site, O(17) is bonded to one Ba(1), one Ti(4), one Ti(6), and one Ti(8) 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 tetrahedra. 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(7) 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(8) atom. In the twenty-second O site, O(22) is bonded in a water-like geometry to 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 distorted corner-sharing OBaTi3 trigonal pyramids. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Ba(2), one Ti(1), one Ti(11), and one Ti(9) atom.