CaTmMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent O(4) atoms. Tm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(4), and four equivalent O(3) atoms. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 28-35°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Tm(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OCaTmMn2 tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one Tm(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OCaTmMn2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Tm(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Tm(1), and two equivalent Mn(1) atoms.
CaTmMn2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent O(4) atoms. The Ca(1)-O(1) bond length is 2.40 Å. The Ca(1)-O(2) bond length is 2.31 Å. Both Ca(1)-O(3) bond lengths are 2.36 Å. There are two shorter (2.58 Å) and two longer (2.64 Å) Ca(1)-O(4) bond lengths. Tm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(4), and four equivalent O(3) atoms. The Tm(1)-O(1) bond length is 2.23 Å. The Tm(1)-O(2) bond length is 2.26 Å. Both Tm(1)-O(4) bond lengths are 2.27 Å. There are two shorter (2.44 Å) and two longer (2.67 Å) Tm(1)-O(3) bond lengths. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 28-35°. The Mn(1)-O(1) bond length is 1.98 Å. The Mn(1)-O(2) bond length is 1.96 Å. There is one shorter (1.99 Å) and one longer (2.01 Å) Mn(1)-O(3) bond length. There is one shorter (1.99 Å) and one longer (2.00 Å) Mn(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Tm(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OCaTmMn2 tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one Tm(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OCaTmMn2 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Tm(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Tm(1), and two equivalent Mn(1) atoms.