LuTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles range from 44-45°. Tl(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Tl(1) atoms to form distorted corner-sharing OLu2Tl2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one Tl(1) atom.
LuTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles range from 44-45°. Both Lu(1)-O(1) bond lengths are 2.28 Å. All Lu(1)-O(2) bond lengths are 2.20 Å. Tl(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There is one shorter (2.28 Å) and one longer (2.35 Å) Tl(1)-O(1) bond length. Both Tl(1)-O(2) bond lengths are 2.22 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Tl(1) atoms to form distorted corner-sharing OLu2Tl2 trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one Tl(1) atom.