MgScMo3O8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra, edges with two equivalent Sc(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Sc(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) 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 MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Mo site, Mo(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra, edges with four equivalent Mo(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(1) atoms.
MgScMo3O8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra, edges with two equivalent Sc(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. The Mg(1)-O(2) bond length is 2.25 Å. The Mg(1)-O(5) bond length is 2.24 Å. Both Mg(1)-O(1) bond lengths are 2.10 Å. Both Mg(1)-O(3) bond lengths are 2.09 Å. Sc(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Sc(1)-O(4) bond length is 2.30 Å. The Sc(1)-O(6) bond length is 2.31 Å. Both Sc(1)-O(1) bond lengths are 2.19 Å. Both Sc(1)-O(3) bond lengths are 2.19 Å. There are two inequivalent Mo sites. In the first Mo site, Mo(1) 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 MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. The Mo(1)-O(1) bond length is 2.14 Å. The Mo(1)-O(2) bond length is 2.12 Å. The Mo(1)-O(3) bond length is 2.14 Å. The Mo(1)-O(4) bond length is 2.07 Å. The Mo(1)-O(5) bond length is 2.12 Å. The Mo(1)-O(6) bond length is 2.07 Å. In the second Mo site, Mo(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra, edges with four equivalent Mo(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. The Mo(2)-O(2) bond length is 2.08 Å. The Mo(2)-O(5) bond length is 2.08 Å. Both Mo(2)-O(1) bond lengths are 2.16 Å. Both Mo(2)-O(3) bond lengths are 2.17 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(1) atoms.