MgScMo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form distorted MgO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Sc(1)O4 tetrahedra,  an edgeedge with one Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. Sc(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form ScO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and corners with three equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-67°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Sc(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with three equivalent Sc(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Sc(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. There are eight 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(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(3) atom.
MgScMo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form distorted MgO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Sc(1)O4 tetrahedra,  an edgeedge with one Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. The Mg(1)-O(1) bond length is 2.07 Å. The Mg(1)-O(2) bond length is 2.66 Å. The Mg(1)-O(3) bond length is 2.05 Å. The Mg(1)-O(4) bond length is 2.05 Å. The Mg(1)-O(5) bond length is 2.20 Å. The Mg(1)-O(8) bond length is 2.20 Å. Sc(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form ScO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and corners with three equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-67°. The Sc(1)-O(1) bond length is 2.06 Å. The Sc(1)-O(5) bond length is 2.04 Å. The Sc(1)-O(7) bond length is 1.98 Å. The Sc(1)-O(8) bond length is 2.06 Å. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Sc(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. The Mo(1)-O(2) bond length is 2.20 Å. The Mo(1)-O(3) bond length is 1.99 Å. The Mo(1)-O(4) bond length is 2.00 Å. The Mo(1)-O(5) bond length is 2.17 Å. The Mo(1)-O(6) bond length is 2.13 Å. The Mo(1)-O(8) bond length is 2.17 Å. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with three equivalent Sc(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The Mo(2)-O(1) bond length is 2.18 Å. The Mo(2)-O(2) bond length is 2.15 Å. The Mo(2)-O(3) bond length is 2.13 Å. The Mo(2)-O(5) bond length is 2.20 Å. The Mo(2)-O(6) bond length is 2.13 Å. The Mo(2)-O(7) bond length is 2.15 Å. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Sc(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The Mo(3)-O(1) bond length is 2.11 Å. The Mo(3)-O(2) bond length is 2.03 Å. The Mo(3)-O(4) bond length is 2.11 Å. The Mo(3)-O(6) bond length is 2.02 Å. The Mo(3)-O(7) bond length is 2.04 Å. The Mo(3)-O(8) bond length is 2.19 Å. There are eight 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(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(3) atom.