CaTiSiO5 is Antimony trioxide-derived structured and crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(5), and two equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. Si(1) is bonded in a distorted T-shaped geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Ti(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 O(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ti(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Si(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ti(1), and one Si(1) atom.
CaTiSiO5 is Antimony trioxide-derived structured and crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(5), and two equivalent O(1) atoms. The Ca(1)-O(2) bond length is 2.31 Å. The Ca(1)-O(5) bond length is 2.38 Å. There is one shorter (2.28 Å) and one longer (2.34 Å) Ca(1)-O(1) bond length. Ti(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. The Ti(1)-O(1) bond length is 1.80 Å. The Ti(1)-O(2) bond length is 1.90 Å. The Ti(1)-O(3) bond length is 1.85 Å. The Ti(1)-O(4) bond length is 2.12 Å. The Ti(1)-O(5) bond length is 1.90 Å. Si(1) is bonded in a distorted T-shaped geometry to one O(3), one O(4), and one O(5) atom. The Si(1)-O(3) bond length is 1.69 Å. The Si(1)-O(4) bond length is 1.92 Å. The Si(1)-O(5) bond length is 1.74 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one Ti(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 O(4) atom. The O(2)-O(4) bond length is 1.51 Å. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ti(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(1), one Si(1), and one O(2) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ti(1), and one Si(1) atom.