ScMn3(BiO3)4 crystallizes in the monoclinic C2 space group. Sc(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ScO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-34°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sc(1), one Mn(2), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sc(1), one Mn(2), and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to one Sc(1), one Mn(2), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OScMnBi2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(2), one Bi(1), and one Bi(2) atom.
ScMn3(BiO3)4 crystallizes in the monoclinic C2 space group. Sc(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ScO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. Both Sc(1)-O(2) bond lengths are 2.04 Å. Both Sc(1)-O(4) bond lengths are 2.19 Å. Both Sc(1)-O(5) bond lengths are 2.14 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. Both Mn(1)-O(1) bond lengths are 1.96 Å. Both Mn(1)-O(3) bond lengths are 2.03 Å. Both Mn(1)-O(6) bond lengths are 2.22 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Sc(1)O6 octahedra and corners with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-34°. The Mn(2)-O(1) bond length is 2.30 Å. The Mn(2)-O(2) bond length is 2.21 Å. The Mn(2)-O(3) bond length is 1.99 Å. The Mn(2)-O(4) bond length is 1.96 Å. The Mn(2)-O(5) bond length is 2.00 Å. The Mn(2)-O(6) bond length is 1.98 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(3) atoms. The Bi(1)-O(1) bond length is 2.25 Å. The Bi(1)-O(2) bond length is 2.83 Å. The Bi(1)-O(5) bond length is 2.48 Å. The Bi(1)-O(6) bond length is 2.27 Å. There is one shorter (2.27 Å) and one longer (2.76 Å) Bi(1)-O(3) bond length. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. The Bi(2)-O(1) bond length is 2.81 Å. The Bi(2)-O(2) bond length is 2.21 Å. The Bi(2)-O(5) bond length is 2.30 Å. The Bi(2)-O(6) bond length is 2.51 Å. There is one shorter (2.28 Å) and one longer (2.77 Å) Bi(2)-O(4) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sc(1), one Mn(2), one Bi(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Sc(1), one Mn(2), and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to one Sc(1), one Mn(2), one Bi(1), and one Bi(2) atom to form distorted corner-sharing OScMnBi2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(2), one Bi(1), and one Bi(2) atom.