CaU3Ti8O24 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms to form distorted CaO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. There are two inequivalent U sites. In the first U site, U(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form distorted UO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. In the second U site, U(2) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(9) atoms to form distorted UO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. In the second Ti site, Ti(2) is bonded to one O(10), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-67°. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(5), one O(7), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)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 27-66°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(4) and two equivalent Ti(3) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one U(1), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one U(2), one Ti(2), and one Ti(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ti(1), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one U(1), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one U(1), one U(2), and one Ti(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ca(1), one U(1), and one Ti(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one U(1), one U(2), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one U(1), and one Ti(4) atom.
CaU3Ti8O24 crystallizes in the triclinic P-1 space group. Ca(1) is bonded to two equivalent O(10), two equivalent O(12), and two equivalent O(7) atoms to form distorted CaO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-67°. Both Ca(1)-O(10) bond lengths are 2.40 Å. Both Ca(1)-O(12) bond lengths are 2.39 Å. Both Ca(1)-O(7) bond lengths are 2.31 Å. There are two inequivalent U sites. In the first U site, U(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form distorted UO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra, and  an edgeedge with one U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. The U(1)-O(10) bond length is 2.20 Å. The U(1)-O(11) bond length is 2.26 Å. The U(1)-O(12) bond length is 2.21 Å. The U(1)-O(5) bond length is 2.16 Å. The U(1)-O(8) bond length is 2.17 Å. The U(1)-O(9) bond length is 2.25 Å. In the second U site, U(2) is bonded to two equivalent O(11), two equivalent O(6), and two equivalent O(9) atoms to form distorted UO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, and edges with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-63°. Both U(2)-O(11) bond lengths are 2.29 Å. Both U(2)-O(6) bond lengths are 2.18 Å. Both U(2)-O(9) bond lengths are 2.29 Å. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. The Ti(1)-O(1) bond length is 1.94 Å. The Ti(1)-O(2) bond length is 1.92 Å. The Ti(1)-O(4) bond length is 2.11 Å. The Ti(1)-O(5) bond length is 1.92 Å. The Ti(1)-O(7) bond length is 1.98 Å. The Ti(1)-O(9) bond length is 1.98 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(4), one O(6), one O(8), and two equivalent O(2) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-67°. The Ti(2)-O(10) bond length is 1.83 Å. The Ti(2)-O(4) bond length is 1.93 Å. The Ti(2)-O(6) bond length is 1.90 Å. The Ti(2)-O(8) bond length is 2.18 Å. There is one shorter (1.96 Å) and one longer (2.11 Å) Ti(2)-O(2) bond length. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(5), one O(7), and two equivalent O(3) atoms to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-63°. The Ti(3)-O(1) bond length is 1.95 Å. The Ti(3)-O(11) bond length is 1.93 Å. The Ti(3)-O(5) bond length is 2.15 Å. The Ti(3)-O(7) bond length is 1.81 Å. There is one shorter (1.91 Å) and one longer (2.14 Å) Ti(3)-O(3) bond length. In the fourth Ti site, Ti(4) is bonded to one O(1), one O(12), one O(3), one O(4), one O(6), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra,  a cornercorner with one U(2)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent U(1)O6 octahedra,  an edgeedge with one Ti(1)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 27-66°. The Ti(4)-O(1) bond length is 2.13 Å. The Ti(4)-O(12) bond length is 1.84 Å. The Ti(4)-O(3) bond length is 1.93 Å. The Ti(4)-O(4) bond length is 1.94 Å. The Ti(4)-O(6) bond length is 2.18 Å. The Ti(4)-O(8) bond length is 1.90 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(3), and one Ti(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ti(4) and two equivalent Ti(3) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Ti(2), and one Ti(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one U(1), one Ti(1), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one U(2), one Ti(2), and one Ti(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Ca(1), one Ti(1), and one Ti(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one U(1), one Ti(2), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a trigonal non-coplanar geometry to one U(1), one U(2), and one Ti(1) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Ca(1), one U(1), and one Ti(2) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one U(1), one U(2), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1), one U(1), and one Ti(4) atom.