BaTi6O13 crystallizes in the triclinic P-1 space group. Ba(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), one O(6), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form distorted BaO12 cuboctahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(6)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ti(3)O6 octahedra,  a faceface with one Ti(5)O6 octahedra, and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-65°. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(11) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Ti site, Ti(3) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 43-53°. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(6) atom to form distorted TiO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(10), one O(13), one O(9), and two equivalent O(12) atoms to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(2), one Ti(3), and one Ti(6) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Ti(1), one Ti(4), and one Ti(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(2), one Ti(3), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(4) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Ti(1), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(1), one Ti(3), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ti(1), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Ti(6) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(2), one Ti(5), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(5), and two equivalent Ti(1) atoms. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(2), and two equivalent Ti(6) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ti(4), one Ti(5), and one Ti(6) atom.
BaTi6O13 crystallizes in the triclinic P-1 space group. Ba(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(5), one O(6), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form distorted BaO12 cuboctahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Ti(6)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ti(3)O6 octahedra,  a faceface with one Ti(5)O6 octahedra, and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-65°. The Ba(1)-O(1) bond length is 2.95 Å. The Ba(1)-O(10) bond length is 2.86 Å. The Ba(1)-O(11) bond length is 3.00 Å. The Ba(1)-O(12) bond length is 2.96 Å. The Ba(1)-O(5) bond length is 2.91 Å. The Ba(1)-O(6) bond length is 2.85 Å. There is one shorter (3.14 Å) and one longer (3.23 Å) Ba(1)-O(2) bond length. There is one shorter (2.83 Å) and one longer (3.01 Å) Ba(1)-O(7) bond length. There is one shorter (2.82 Å) and one longer (3.01 Å) Ba(1)-O(8) bond length. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(5), one O(6), one O(8), and two equivalent O(11) atoms to form distorted TiO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. The Ti(1)-O(2) bond length is 2.07 Å. The Ti(1)-O(5) bond length is 1.82 Å. The Ti(1)-O(6) bond length is 2.01 Å. The Ti(1)-O(8) bond length is 1.95 Å. There is one shorter (1.87 Å) and one longer (2.16 Å) Ti(1)-O(11) bond length. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(3), and two equivalent O(4) atoms to form TiO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(2)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Ti(2)-O(1) bond length is 1.91 Å. The Ti(2)-O(10) bond length is 2.10 Å. The Ti(2)-O(12) bond length is 1.92 Å. The Ti(2)-O(3) bond length is 1.92 Å. There is one shorter (1.94 Å) and one longer (2.02 Å) Ti(2)-O(4) bond length. In the third Ti site, Ti(3) is bonded to one O(1), one O(3), one O(6), one O(7), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ba(1)O12 cuboctahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  a faceface with one Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 43-53°. The Ti(3)-O(1) bond length is 2.29 Å. The Ti(3)-O(3) bond length is 2.01 Å. The Ti(3)-O(6) bond length is 1.93 Å. The Ti(3)-O(7) bond length is 1.88 Å. The Ti(3)-O(8) bond length is 1.82 Å. The Ti(3)-O(9) bond length is 2.01 Å. In the fourth Ti site, Ti(4) is bonded to one O(13), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. The Ti(4)-O(13) bond length is 2.07 Å. The Ti(4)-O(2) bond length is 1.99 Å. The Ti(4)-O(4) bond length is 1.95 Å. The Ti(4)-O(5) bond length is 1.86 Å. The Ti(4)-O(7) bond length is 1.88 Å. The Ti(4)-O(9) bond length is 2.11 Å. In the fifth Ti site, Ti(5) is bonded to one O(10), one O(11), one O(13), one O(2), one O(3), and one O(6) atom to form distorted TiO6 octahedra that share corners with two equivalent Ba(1)O12 cuboctahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. The Ti(5)-O(10) bond length is 1.87 Å. The Ti(5)-O(11) bond length is 1.98 Å. The Ti(5)-O(13) bond length is 1.92 Å. The Ti(5)-O(2) bond length is 1.96 Å. The Ti(5)-O(3) bond length is 1.92 Å. The Ti(5)-O(6) bond length is 2.17 Å. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(10), one O(13), one O(9), and two equivalent O(12) atoms to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, edges with two equivalent Ba(1)O12 cuboctahedra,  an edgeedge with one Ti(6)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. The Ti(6)-O(1) bond length is 1.93 Å. The Ti(6)-O(10) bond length is 2.05 Å. The Ti(6)-O(13) bond length is 1.91 Å. The Ti(6)-O(9) bond length is 1.87 Å. There is one shorter (2.02 Å) and one longer (2.09 Å) Ti(6)-O(12) bond length. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(2), one Ti(3), and one Ti(6) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Ti(1), one Ti(4), and one Ti(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ti(2), one Ti(3), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(4) and two equivalent Ti(2) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Ba(1), one Ti(1), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(1), one Ti(3), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ti(3), and one Ti(4) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ti(1), and one Ti(3) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Ti(3), one Ti(4), and one Ti(6) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Ti(2), one Ti(5), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(5), and two equivalent Ti(1) atoms. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ba(1), one Ti(2), and two equivalent Ti(6) atoms. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Ti(4), one Ti(5), and one Ti(6) atom.