ScMo3O8 is Rutile-derived structured and crystallizes in the triclinic P1 space group. Sc(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form ScO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and corners with four equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. 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 four equivalent Sc(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 50-51°. 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 four equivalent Sc(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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 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 49-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to 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), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to 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 planar geometry to one Sc(1), one Mo(1), and one Mo(3) atom.
ScMo3O8 is Rutile-derived structured and crystallizes in the triclinic P1 space group. Sc(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form ScO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and corners with four equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. The Sc(1)-O(1) bond length is 2.22 Å. The Sc(1)-O(3) bond length is 2.16 Å. The Sc(1)-O(4) bond length is 2.15 Å. The Sc(1)-O(5) bond length is 2.16 Å. The Sc(1)-O(7) bond length is 2.22 Å. The Sc(1)-O(8) bond length is 2.15 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 four equivalent Sc(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 50-51°. The Mo(1)-O(2) bond length is 2.10 Å. The Mo(1)-O(3) bond length is 2.06 Å. The Mo(1)-O(4) bond length is 2.07 Å. The Mo(1)-O(5) bond length is 2.06 Å. The Mo(1)-O(6) bond length is 2.10 Å. The Mo(1)-O(8) bond length is 2.07 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 four equivalent Sc(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. The Mo(2)-O(1) bond length is 1.98 Å. The Mo(2)-O(2) bond length is 2.01 Å. The Mo(2)-O(3) bond length is 2.06 Å. The Mo(2)-O(5) bond length is 2.05 Å. The Mo(2)-O(6) bond length is 2.01 Å. The Mo(2)-O(7) bond length is 1.98 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 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 49-53°. The Mo(3)-O(1) bond length is 2.09 Å. The Mo(3)-O(2) bond length is 2.10 Å. The Mo(3)-O(4) bond length is 2.05 Å. The Mo(3)-O(6) bond length is 2.10 Å. The Mo(3)-O(7) bond length is 2.09 Å. The Mo(3)-O(8) bond length is 2.05 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to 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), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to 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 planar geometry to one Sc(1), one Mo(1), and one Mo(3) atom.