GdTiO3Cl crystallizes in the monoclinic C2/m space group. Gd(1) is bonded in a 8-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 corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 26°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Gd(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Gd(1) and three equivalent Ti(1) atoms to form distorted OGdTi3 trigonal pyramids that share corners with four equivalent Cl(1)Gd4 tetrahedra, corners with two equivalent O(2)GdTi3 trigonal pyramids, and edges with two equivalent O(2)GdTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1) and two equivalent Ti(1) atoms. Cl(1) is bonded to four equivalent Gd(1) atoms to form ClGd4 tetrahedra that share corners with six equivalent Cl(1)Gd4 tetrahedra, corners with four equivalent O(2)GdTi3 trigonal pyramids, and edges with three equivalent Cl(1)Gd4 tetrahedra.
GdTiO3Cl crystallizes in the monoclinic C2/m space group. Gd(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), and four equivalent Cl(1) atoms. The Gd(1)-O(2) bond length is 2.54 Å. The Gd(1)-O(3) bond length is 2.22 Å. Both Gd(1)-O(1) bond lengths are 2.19 Å. There are a spread of Gd(1)-Cl(1) bond distances ranging from 2.89-3.11 Å. Ti(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 26°. The Ti(1)-O(1) bond length is 1.87 Å. There is one shorter (1.85 Å) and one longer (2.05 Å) Ti(1)-O(3) bond length. There are two shorter (2.01 Å) and one longer (2.10 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 Gd(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Gd(1) and three equivalent Ti(1) atoms to form distorted OGdTi3 trigonal pyramids that share corners with four equivalent Cl(1)Gd4 tetrahedra, corners with two equivalent O(2)GdTi3 trigonal pyramids, and edges with two equivalent O(2)GdTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1) and two equivalent Ti(1) atoms. Cl(1) is bonded to four equivalent Gd(1) atoms to form ClGd4 tetrahedra that share corners with six equivalent Cl(1)Gd4 tetrahedra, corners with four equivalent O(2)GdTi3 trigonal pyramids, and edges with three equivalent Cl(1)Gd4 tetrahedra.