ScMnO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Sc(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OSc2Mn2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sc(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sc(1), one Mn(1), and one Mn(2) atom.
ScMnO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Sc(1) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.08 Å) and one longer (2.24 Å) Sc(1)-O(1) bond length. There is one shorter (2.07 Å) and one longer (2.15 Å) Sc(1)-O(2) bond length. There are a spread of Sc(1)-O(3) bond distances ranging from 2.17-2.56 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. Both Mn(1)-O(1) bond lengths are 2.20 Å. Both Mn(1)-O(2) bond lengths are 1.95 Å. Both Mn(1)-O(3) bond lengths are 1.99 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 39-51°. Both Mn(2)-O(1) bond lengths are 1.92 Å. Both Mn(2)-O(2) bond lengths are 2.38 Å. Both Mn(2)-O(3) bond lengths are 1.96 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OSc2Mn2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Sc(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sc(1), one Mn(1), and one Mn(2) atom.