CaNdMn2O6 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(4), and four equivalent O(3) atoms. Nd(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. 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 25-26°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Nd(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Nd(1), and two equivalent Mn(1) atoms.
CaNdMn2O6 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(4), and four equivalent O(3) atoms. The Ca(1)-O(1) bond length is 2.47 Å. The Ca(1)-O(2) bond length is 2.37 Å. Both Ca(1)-O(4) bond lengths are 2.40 Å. There are two shorter (2.63 Å) and two longer (2.68 Å) Ca(1)-O(3) bond lengths. Nd(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 Nd(1)-O(1) bond length is 2.39 Å. The Nd(1)-O(2) bond length is 2.46 Å. Both Nd(1)-O(3) bond lengths are 2.40 Å. There are two shorter (2.59 Å) and two longer (2.71 Å) Nd(1)-O(4) 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 25-26°. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 1.97 Å. Both Mn(1)-O(3) bond lengths are 1.98 Å. There is one shorter (1.99 Å) and one longer (2.01 Å) Mn(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ca(1), one Nd(1), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Nd(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Nd(1), and two equivalent Mn(1) atoms.