BiScO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. In the second Sc site, Sc(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(2), and one Bi(1) atom. In the second O site, O(2) is bonded to one Sc(1), one Sc(2), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OSc2Bi2 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(2), and one Bi(1) atom.
BiScO3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. Both Sc(1)-O(1) bond lengths are 2.10 Å. Both Sc(1)-O(2) bond lengths are 2.14 Å. Both Sc(1)-O(3) bond lengths are 2.15 Å. In the second Sc site, Sc(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles range from 23-34°. Both Sc(2)-O(1) bond lengths are 2.19 Å. Both Sc(2)-O(2) bond lengths are 2.15 Å. Both Sc(2)-O(3) bond lengths are 2.08 Å. Bi(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. The Bi(1)-O(1) bond length is 2.21 Å. The Bi(1)-O(3) bond length is 2.25 Å. There is one shorter (2.25 Å) and one longer (2.51 Å) Bi(1)-O(2) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(2), and one Bi(1) atom. In the second O site, O(2) is bonded to one Sc(1), one Sc(2), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing OSc2Bi2 tetrahedra. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Sc(1), one Sc(2), and one Bi(1) atom.