ScCoO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Sc(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OSc2Co2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sc(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sc(1), one Co(1), and one Co(2) atom.
ScCoO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. Sc(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There is one shorter (2.08 Å) and one longer (2.14 Å) Sc(1)-O(1) bond length. There are a spread of Sc(1)-O(2) bond distances ranging from 2.12-2.72 Å. There are a spread of Sc(1)-O(3) bond distances ranging from 2.13-2.64 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. Both Co(1)-O(1) bond lengths are 1.94 Å. Both Co(1)-O(2) bond lengths are 2.07 Å. Both Co(1)-O(3) bond lengths are 1.91 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles range from 42-46°. Both Co(2)-O(1) bond lengths are 2.09 Å. Both Co(2)-O(2) bond lengths are 1.88 Å. Both Co(2)-O(3) bond lengths are 2.05 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sc(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OSc2Co2 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Sc(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent Sc(1), one Co(1), and one Co(2) atom.