TmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tm(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 46°. Tl(1) is bonded in a 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 Tm(1) and two equivalent Tl(1) atoms to form distorted corner-sharing OTm2Tl2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Tl(1) atom.
TmTlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Tm(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing TmO6 octahedra. The corner-sharing octahedral tilt angles are 46°. Both Tm(1)-O(1) bond lengths are 2.31 Å. There are two shorter (2.21 Å) and two longer (2.23 Å) Tm(1)-O(2) bond lengths. Tl(1) is bonded in a rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There is one shorter (2.26 Å) and one longer (2.38 Å) Tl(1)-O(1) bond length. Both Tl(1)-O(2) bond lengths are 2.20 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tm(1) and two equivalent Tl(1) atoms to form distorted corner-sharing OTm2Tl2 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Tm(1) and one Tl(1) atom.