KTi16O32 is zeta iron carbide-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a body-centered cubic geometry to two equivalent O(13), two equivalent O(14), two equivalent O(8), and two equivalent O(9) atoms. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(14), one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second Ti site, Ti(2) is bonded to one O(1), one O(12), one O(14), one O(15), one O(4), and one O(5) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the third Ti site, Ti(3) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(11), one O(5), one O(6), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the fifth Ti site, Ti(5) is bonded to one O(11), one O(15), one O(4), one O(6), 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 48-49°. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(12), one O(13), one O(14), one O(16), and one O(3) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the seventh Ti site, Ti(7) is bonded to one O(11), one O(12), one O(16), one O(4), and two equivalent O(13) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the eighth Ti site, Ti(8) is bonded to one O(15), one O(16), one O(2), one O(9), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Ti(8) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Ti(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(5), and one Ti(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one Ti(4), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3) and two equivalent Ti(8) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Ti(5), and two equivalent Ti(4) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one K(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(3), one Ti(4), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(4), one Ti(5), and one Ti(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Ti(6), and one Ti(7) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(1), one Ti(6), and two equivalent Ti(7) atoms. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(1), one Ti(1), one Ti(2), and one Ti(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(5), and one Ti(8) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Ti(6), one Ti(7), and one Ti(8) atom.
KTi16O32 is zeta iron carbide-derived structured and crystallizes in the triclinic P-1 space group. K(1) is bonded in a body-centered cubic geometry to two equivalent O(13), two equivalent O(14), two equivalent O(8), and two equivalent O(9) atoms. Both K(1)-O(13) bond lengths are 3.05 Å. Both K(1)-O(14) bond lengths are 3.05 Å. Both K(1)-O(8) bond lengths are 3.05 Å. Both K(1)-O(9) bond lengths are 3.05 Å. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(14), one O(2), one O(3), one O(5), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 48°. The Ti(1)-O(14) bond length is 1.96 Å. The Ti(1)-O(2) bond length is 1.93 Å. The Ti(1)-O(3) bond length is 2.01 Å. The Ti(1)-O(5) bond length is 2.01 Å. There is one shorter (1.94 Å) and one longer (2.05 Å) Ti(1)-O(1) bond length. In the second Ti site, Ti(2) is bonded to one O(1), one O(12), one O(14), one O(15), one O(4), and one O(5) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. The Ti(2)-O(1) bond length is 1.93 Å. The Ti(2)-O(12) bond length is 1.94 Å. The Ti(2)-O(14) bond length is 2.06 Å. The Ti(2)-O(15) bond length is 1.93 Å. The Ti(2)-O(4) bond length is 2.03 Å. The Ti(2)-O(5) bond length is 2.02 Å. In the third Ti site, Ti(3) is bonded to one O(10), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. The Ti(3)-O(10) bond length is 2.02 Å. The Ti(3)-O(2) bond length is 2.02 Å. The Ti(3)-O(3) bond length is 1.93 Å. The Ti(3)-O(6) bond length is 1.94 Å. The Ti(3)-O(7) bond length is 1.94 Å. The Ti(3)-O(9) bond length is 2.06 Å. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(11), one O(5), one O(6), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 48°. The Ti(4)-O(10) bond length is 2.02 Å. The Ti(4)-O(11) bond length is 2.02 Å. The Ti(4)-O(5) bond length is 1.92 Å. The Ti(4)-O(6) bond length is 1.94 Å. There is one shorter (1.96 Å) and one longer (2.07 Å) Ti(4)-O(8) bond length. In the fifth Ti site, Ti(5) is bonded to one O(11), one O(15), one O(4), one O(6), 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 48-49°. The Ti(5)-O(11) bond length is 1.99 Å. The Ti(5)-O(15) bond length is 1.99 Å. The Ti(5)-O(4) bond length is 1.94 Å. The Ti(5)-O(6) bond length is 2.04 Å. The Ti(5)-O(8) bond length is 1.97 Å. The Ti(5)-O(9) bond length is 1.96 Å. In the sixth Ti site, Ti(6) is bonded to one O(10), one O(12), one O(13), one O(14), one O(16), and one O(3) atom to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. The Ti(6)-O(10) bond length is 1.94 Å. The Ti(6)-O(12) bond length is 2.04 Å. The Ti(6)-O(13) bond length is 1.97 Å. The Ti(6)-O(14) bond length is 1.97 Å. The Ti(6)-O(16) bond length is 1.99 Å. The Ti(6)-O(3) bond length is 1.99 Å. In the seventh Ti site, Ti(7) is bonded to one O(11), one O(12), one O(16), one O(4), and two equivalent O(13) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. The Ti(7)-O(11) bond length is 1.93 Å. The Ti(7)-O(12) bond length is 1.94 Å. The Ti(7)-O(16) bond length is 2.02 Å. The Ti(7)-O(4) bond length is 2.02 Å. There is one shorter (1.96 Å) and one longer (2.06 Å) Ti(7)-O(13) bond length. In the eighth Ti site, Ti(8) is bonded to one O(15), one O(16), one O(2), one O(9), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. The Ti(8)-O(15) bond length is 2.01 Å. The Ti(8)-O(16) bond length is 1.93 Å. The Ti(8)-O(2) bond length is 2.01 Å. The Ti(8)-O(9) bond length is 1.96 Å. There is one shorter (1.94 Å) and one longer (2.05 Å) Ti(8)-O(7) bond length. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Ti(8) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(3), and one Ti(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(5), and one Ti(7) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3), one Ti(4), and one Ti(5) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ti(3) and two equivalent Ti(8) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Ti(5), and two equivalent Ti(4) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one K(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(3), one Ti(4), and one Ti(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(4), one Ti(5), and one Ti(7) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Ti(2), one Ti(6), and one Ti(7) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(1), one Ti(6), and two equivalent Ti(7) atoms. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one K(1), one Ti(1), one Ti(2), and one Ti(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Ti(2), one Ti(5), and one Ti(8) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Ti(6), one Ti(7), and one Ti(8) atom.