LuTiO3Cl crystallizes in the monoclinic C2/m space group. Lu(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), two equivalent O(1), and four equivalent Cl(1) atoms. Ti(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Lu(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Lu(1) and three equivalent Ti(1) atoms to form distorted OLuTi3 trigonal pyramids that share corners with four equivalent Cl(1)Lu4 tetrahedra, corners with two equivalent O(2)LuTi3 trigonal pyramids, and edges with two equivalent O(2)LuTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1) and two equivalent Ti(1) atoms. Cl(1) is bonded to four equivalent Lu(1) atoms to form distorted ClLu4 tetrahedra that share corners with six equivalent Cl(1)Lu4 tetrahedra, corners with four equivalent O(2)LuTi3 trigonal pyramids, and edges with three equivalent Cl(1)Lu4 tetrahedra.
LuTiO3Cl crystallizes in the monoclinic C2/m space group. Lu(1) is bonded in a 3-coordinate geometry to one O(2), one O(3), two equivalent O(1), and four equivalent Cl(1) atoms. The Lu(1)-O(2) bond length is 2.42 Å. The Lu(1)-O(3) bond length is 2.14 Å. Both Lu(1)-O(1) bond lengths are 2.13 Å. There are a spread of Lu(1)-Cl(1) bond distances ranging from 2.76-3.20 Å. Ti(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 29°. The Ti(1)-O(1) bond length is 1.88 Å. There is one shorter (1.85 Å) and one longer (2.08 Å) Ti(1)-O(3) bond length. There are two shorter (1.99 Å) and one longer (2.17 Å) Ti(1)-O(2) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Lu(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Lu(1) and three equivalent Ti(1) atoms to form distorted OLuTi3 trigonal pyramids that share corners with four equivalent Cl(1)Lu4 tetrahedra, corners with two equivalent O(2)LuTi3 trigonal pyramids, and edges with two equivalent O(2)LuTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1) and two equivalent Ti(1) atoms. Cl(1) is bonded to four equivalent Lu(1) atoms to form distorted ClLu4 tetrahedra that share corners with six equivalent Cl(1)Lu4 tetrahedra, corners with four equivalent O(2)LuTi3 trigonal pyramids, and edges with three equivalent Cl(1)Lu4 tetrahedra.