CaTi2O6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with twelve equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms.
CaTi2O6 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/c space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with twelve equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. Both Ca(1)-O(1) bond lengths are 2.37 Å. Both Ca(1)-O(2) bond lengths are 2.36 Å. Both Ca(1)-O(3) bond lengths are 2.41 Å. Ti(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. There is one shorter (1.89 Å) and one longer (2.00 Å) Ti(1)-O(1) bond length. There is one shorter (1.92 Å) and one longer (1.93 Å) Ti(1)-O(2) bond length. Both Ti(1)-O(3) bond lengths are 2.06 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms.