CaTiPO5 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. 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 two equivalent Ti(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ti(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms.
CaTiPO5 crystallizes in the monoclinic C2/c space group. Ca(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. The Ca(1)-O(3) bond length is 2.19 Å. Both Ca(1)-O(2) bond lengths are 2.52 Å. There are two shorter (2.50 Å) and two longer (2.65 Å) Ca(1)-O(1) bond lengths. 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 two equivalent Ti(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. Both Ti(1)-O(1) bond lengths are 2.22 Å. Both Ti(1)-O(2) bond lengths are 2.18 Å. Both Ti(1)-O(3) bond lengths are 1.91 Å. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-53°. Both P(1)-O(1) bond lengths are 1.58 Å. Both P(1)-O(2) bond lengths are 1.52 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Ti(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Ti(1) atoms.