ZrTi2O6 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(12), one O(13), one O(19), one O(20), one O(3), and one O(4) atom to form distorted ZrO6 octahedra that share corners with two equivalent Zr(4)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with four equivalent Ti(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the second Zr site, Zr(2) is bonded to one O(15), one O(2), one O(23), one O(24), one O(6), and one O(9) atom to form distorted ZrO6 octahedra that share corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with four equivalent Ti(8)O6 octahedra,  an edgeedge with one Zr(3)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the third Zr site, Zr(3) is bonded to one O(10), one O(17), one O(2), one O(21), one O(23), and one O(5) atom to form distorted ZrO6 octahedra that share corners with two equivalent Ti(7)O6 octahedra, corners with two equivalent Ti(8)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra,  an edgeedge with one Zr(2)O6 octahedra, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. In the fourth Zr site, Zr(4) is bonded to one O(1), one O(12), one O(14), one O(16), one O(19), and one O(7) atom to form distorted ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(16), one O(21), one O(22), one O(5), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(4)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with four equivalent Ti(7)O6 octahedra,  an edgeedge with one Zr(3)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second Ti site, Ti(2) is bonded to one O(1), one O(14), one O(19), one O(22), one O(3), and one O(7) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, corners with four equivalent Zr(4)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the third Ti site, Ti(3) is bonded to one O(11), one O(18), one O(20), one O(24), one O(4), and one O(6) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(8)O6 octahedra, corners with four equivalent Ti(6)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and  an edgeedge with one Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(15), one O(17), one O(2), one O(21), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Zr(3)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 48-59°. In the fifth Ti site, Ti(5) is bonded to one O(11), one O(12), one O(13), one O(14), one O(20), and one O(3) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra,  an edgeedge with one Zr(4)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the sixth Ti site, Ti(6) is bonded to one O(11), one O(13), one O(18), one O(24), one O(4), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the seventh Ti site, Ti(7) is bonded to one O(16), one O(17), one O(22), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Zr(4)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the eighth Ti site, Ti(8) is bonded to one O(10), one O(15), one O(18), one O(23), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(3)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Zr(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zr(4), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Ti(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one Ti(2), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zr(1), one Ti(3), and one Ti(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(1), and one Ti(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(3), and one Ti(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zr(4), one Ti(2), and one Ti(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(4), and one Ti(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zr(2), one Ti(6), and one Ti(8) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(4), and one Ti(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(5), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Zr(1), one Zr(4), and one Ti(5) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Zr(1), one Ti(5), and one Ti(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Zr(4), one Ti(2), and one Ti(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(4), and one Ti(8) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Zr(4), one Ti(1), and one Ti(7) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Zr(3), one Ti(4), and one Ti(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(6), and one Ti(8) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Zr(1), one Zr(4), and one Ti(2) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Zr(1), one Ti(3), and one Ti(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(1), and one Ti(4) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(7) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Ti(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(3), and one Ti(6) atom.
ZrTi2O6 is Hydrophilite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Zr sites. In the first Zr site, Zr(1) is bonded to one O(12), one O(13), one O(19), one O(20), one O(3), and one O(4) atom to form distorted ZrO6 octahedra that share corners with two equivalent Zr(4)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with four equivalent Ti(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. The Zr(1)-O(12) bond length is 2.05 Å. The Zr(1)-O(13) bond length is 2.05 Å. The Zr(1)-O(19) bond length is 2.07 Å. The Zr(1)-O(20) bond length is 2.23 Å. The Zr(1)-O(3) bond length is 2.26 Å. The Zr(1)-O(4) bond length is 2.08 Å. In the second Zr site, Zr(2) is bonded to one O(15), one O(2), one O(23), one O(24), one O(6), and one O(9) atom to form distorted ZrO6 octahedra that share corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with four equivalent Ti(8)O6 octahedra,  an edgeedge with one Zr(3)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. The Zr(2)-O(15) bond length is 2.04 Å. The Zr(2)-O(2) bond length is 2.12 Å. The Zr(2)-O(23) bond length is 2.23 Å. The Zr(2)-O(24) bond length is 2.10 Å. The Zr(2)-O(6) bond length is 2.25 Å. The Zr(2)-O(9) bond length is 2.05 Å. In the third Zr site, Zr(3) is bonded to one O(10), one O(17), one O(2), one O(21), one O(23), and one O(5) atom to form distorted ZrO6 octahedra that share corners with two equivalent Ti(7)O6 octahedra, corners with two equivalent Ti(8)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra,  an edgeedge with one Zr(2)O6 octahedra, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. The Zr(3)-O(10) bond length is 2.04 Å. The Zr(3)-O(17) bond length is 2.05 Å. The Zr(3)-O(2) bond length is 2.23 Å. The Zr(3)-O(21) bond length is 2.26 Å. The Zr(3)-O(23) bond length is 2.11 Å. The Zr(3)-O(5) bond length is 2.10 Å. In the fourth Zr site, Zr(4) is bonded to one O(1), one O(12), one O(14), one O(16), one O(19), and one O(7) atom to form distorted ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. The Zr(4)-O(1) bond length is 2.04 Å. The Zr(4)-O(12) bond length is 2.08 Å. The Zr(4)-O(14) bond length is 2.25 Å. The Zr(4)-O(16) bond length is 2.09 Å. The Zr(4)-O(19) bond length is 2.04 Å. The Zr(4)-O(7) bond length is 2.21 Å. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(16), one O(21), one O(22), one O(5), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(4)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with four equivalent Ti(7)O6 octahedra,  an edgeedge with one Zr(3)O6 octahedra, and  an edgeedge with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Ti(1)-O(1) bond length is 1.93 Å. The Ti(1)-O(16) bond length is 1.89 Å. The Ti(1)-O(21) bond length is 1.99 Å. The Ti(1)-O(22) bond length is 2.28 Å. The Ti(1)-O(5) bond length is 2.14 Å. The Ti(1)-O(8) bond length is 1.87 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(14), one O(19), one O(22), one O(3), and one O(7) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra, corners with four equivalent Zr(4)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and  an edgeedge with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Ti(2)-O(1) bond length is 2.13 Å. The Ti(2)-O(14) bond length is 1.89 Å. The Ti(2)-O(19) bond length is 2.05 Å. The Ti(2)-O(22) bond length is 1.99 Å. The Ti(2)-O(3) bond length is 2.05 Å. The Ti(2)-O(7) bond length is 1.92 Å. In the third Ti site, Ti(3) is bonded to one O(11), one O(18), one O(20), one O(24), one O(4), and one O(6) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(8)O6 octahedra, corners with four equivalent Ti(6)O6 octahedra,  an edgeedge with one Zr(1)O6 octahedra, and  an edgeedge with one Zr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. The Ti(3)-O(11) bond length is 1.89 Å. The Ti(3)-O(18) bond length is 1.88 Å. The Ti(3)-O(20) bond length is 1.99 Å. The Ti(3)-O(24) bond length is 2.17 Å. The Ti(3)-O(4) bond length is 2.20 Å. The Ti(3)-O(6) bond length is 2.00 Å. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(15), one O(17), one O(2), one O(21), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Zr(3)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 48-59°. The Ti(4)-O(10) bond length is 2.14 Å. The Ti(4)-O(15) bond length is 1.96 Å. The Ti(4)-O(17) bond length is 2.07 Å. The Ti(4)-O(2) bond length is 1.90 Å. The Ti(4)-O(21) bond length is 1.89 Å. The Ti(4)-O(8) bond length is 2.03 Å. In the fifth Ti site, Ti(5) is bonded to one O(11), one O(12), one O(13), one O(14), one O(20), and one O(3) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra,  an edgeedge with one Zr(4)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Ti(5)-O(11) bond length is 2.00 Å. The Ti(5)-O(12) bond length is 2.05 Å. The Ti(5)-O(13) bond length is 2.10 Å. The Ti(5)-O(14) bond length is 2.07 Å. The Ti(5)-O(20) bond length is 1.92 Å. The Ti(5)-O(3) bond length is 1.88 Å. In the sixth Ti site, Ti(6) is bonded to one O(11), one O(13), one O(18), one O(24), one O(4), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with two equivalent Zr(2)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra, and  an edgeedge with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. The Ti(6)-O(11) bond length is 2.22 Å. The Ti(6)-O(13) bond length is 1.93 Å. The Ti(6)-O(18) bond length is 2.20 Å. The Ti(6)-O(24) bond length is 1.88 Å. The Ti(6)-O(4) bond length is 1.87 Å. The Ti(6)-O(9) bond length is 1.93 Å. In the seventh Ti site, Ti(7) is bonded to one O(16), one O(17), one O(22), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Zr(4)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. The Ti(7)-O(16) bond length is 2.15 Å. The Ti(7)-O(17) bond length is 1.93 Å. The Ti(7)-O(22) bond length is 1.86 Å. The Ti(7)-O(5) bond length is 1.88 Å. The Ti(7)-O(7) bond length is 1.98 Å. The Ti(7)-O(8) bond length is 2.23 Å. In the eighth Ti site, Ti(8) is bonded to one O(10), one O(15), one O(18), one O(23), one O(6), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Zr(3)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Zr(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. The Ti(8)-O(10) bond length is 1.95 Å. The Ti(8)-O(15) bond length is 2.15 Å. The Ti(8)-O(18) bond length is 2.03 Å. The Ti(8)-O(23) bond length is 1.90 Å. The Ti(8)-O(6) bond length is 1.89 Å. The Ti(8)-O(9) bond length is 2.06 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zr(4), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Ti(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one Ti(2), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zr(1), one Ti(3), and one Ti(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(1), and one Ti(7) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(3), and one Ti(8) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zr(4), one Ti(2), and one Ti(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(4), and one Ti(7) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zr(2), one Ti(6), and one Ti(8) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(4), and one Ti(8) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(5), and one Ti(6) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Zr(1), one Zr(4), and one Ti(5) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Zr(1), one Ti(5), and one Ti(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Zr(4), one Ti(2), and one Ti(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(4), and one Ti(8) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Zr(4), one Ti(1), and one Ti(7) atom. In the seventeenth O site, O(17) is bonded in a trigonal planar geometry to one Zr(3), one Ti(4), and one Ti(7) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(6), and one Ti(8) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Zr(1), one Zr(4), and one Ti(2) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Zr(1), one Ti(3), and one Ti(5) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal planar geometry to one Zr(3), one Ti(1), and one Ti(4) atom. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(7) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Zr(2), one Zr(3), and one Ti(8) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Zr(2), one Ti(3), and one Ti(6) atom.