TmTiO3Cl crystallizes in the monoclinic C2/m space group. Tm(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 distorted edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Tm(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Tm(1) and three equivalent Ti(1) atoms to form distorted OTmTi3 trigonal pyramids that share corners with four equivalent Cl(1)Tm4 tetrahedra, corners with two equivalent O(2)TmTi3 trigonal pyramids, and edges with two equivalent O(2)TmTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Tm(1) and two equivalent Ti(1) atoms. Cl(1) is bonded to four equivalent Tm(1) atoms to form distorted ClTm4 tetrahedra that share corners with six equivalent Cl(1)Tm4 tetrahedra, corners with four equivalent O(2)TmTi3 trigonal pyramids, and edges with three equivalent Cl(1)Tm4 tetrahedra.
TmTiO3Cl crystallizes in the monoclinic C2/m space group. Tm(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 Tm(1)-O(2) bond length is 2.43 Å. The Tm(1)-O(3) bond length is 2.15 Å. Both Tm(1)-O(1) bond lengths are 2.15 Å. There are a spread of Tm(1)-Cl(1) bond distances ranging from 2.78-3.19 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 edge and corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 28°. The Ti(1)-O(1) bond length is 1.88 Å. There is one shorter (1.85 Å) and one longer (2.09 Å) Ti(1)-O(3) bond length. There are two shorter (2.00 Å) and one longer (2.16 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 Tm(1) and one Ti(1) atom. In the second O site, O(2) is bonded to one Tm(1) and three equivalent Ti(1) atoms to form distorted OTmTi3 trigonal pyramids that share corners with four equivalent Cl(1)Tm4 tetrahedra, corners with two equivalent O(2)TmTi3 trigonal pyramids, and edges with two equivalent O(2)TmTi3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Tm(1) and two equivalent Ti(1) atoms. Cl(1) is bonded to four equivalent Tm(1) atoms to form distorted ClTm4 tetrahedra that share corners with six equivalent Cl(1)Tm4 tetrahedra, corners with four equivalent O(2)TmTi3 trigonal pyramids, and edges with three equivalent Cl(1)Tm4 tetrahedra.