Lu3ScV4O12 crystallizes in the monoclinic Pm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. Sc(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Lu(1), one Lu(3), one Sc(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Lu(1), one Lu(2), one Sc(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Lu(1), one Lu(2), one Lu(3), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Lu(2), one Lu(3), one Sc(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded to one Lu(1), one Sc(1), and two equivalent V(1) atoms to form distorted OLuScV2 trigonal pyramids that share corners with two equivalent O(7)Lu2V2 trigonal pyramids and corners with two equivalent O(6)LuScV2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Lu(1), one Sc(1), and two equivalent V(2) atoms to form distorted OLuScV2 trigonal pyramids that share corners with two equivalent O(8)Lu2V2 trigonal pyramids and corners with two equivalent O(5)LuScV2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Lu(2), one Lu(3), and two equivalent V(1) atoms to form distorted OLu2V2 trigonal pyramids that share corners with two equivalent O(8)Lu2V2 trigonal pyramids and corners with two equivalent O(5)LuScV2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Lu(2), one Lu(3), and two equivalent V(2) atoms to form distorted OLu2V2 trigonal pyramids that share corners with two equivalent O(7)Lu2V2 trigonal pyramids and corners with two equivalent O(6)LuScV2 trigonal pyramids.
Lu3ScV4O12 crystallizes in the monoclinic Pm space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Lu(1)-O(5) bond length is 2.20 Å. The Lu(1)-O(6) bond length is 2.28 Å. Both Lu(1)-O(1) bond lengths are 2.22 Å. Both Lu(1)-O(2) bond lengths are 2.43 Å. Both Lu(1)-O(3) bond lengths are 2.71 Å. In the second Lu site, Lu(2) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Lu(2)-O(7) bond length is 2.24 Å. The Lu(2)-O(8) bond length is 2.15 Å. Both Lu(2)-O(2) bond lengths are 2.74 Å. Both Lu(2)-O(3) bond lengths are 2.52 Å. Both Lu(2)-O(4) bond lengths are 2.19 Å. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms. The Lu(3)-O(7) bond length is 2.19 Å. The Lu(3)-O(8) bond length is 2.25 Å. Both Lu(3)-O(1) bond lengths are 2.73 Å. Both Lu(3)-O(3) bond lengths are 2.23 Å. Both Lu(3)-O(4) bond lengths are 2.40 Å. Sc(1) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Sc(1)-O(5) bond length is 2.21 Å. The Sc(1)-O(6) bond length is 2.06 Å. Both Sc(1)-O(1) bond lengths are 2.52 Å. Both Sc(1)-O(2) bond lengths are 2.12 Å. Both Sc(1)-O(4) bond lengths are 2.73 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-44°. The V(1)-O(1) bond length is 1.99 Å. The V(1)-O(2) bond length is 2.12 Å. The V(1)-O(3) bond length is 2.00 Å. The V(1)-O(4) bond length is 2.08 Å. The V(1)-O(5) bond length is 2.04 Å. The V(1)-O(7) bond length is 2.06 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 39-46°. The V(2)-O(1) bond length is 2.04 Å. The V(2)-O(2) bond length is 2.03 Å. The V(2)-O(3) bond length is 2.05 Å. The V(2)-O(4) bond length is 2.01 Å. The V(2)-O(6) bond length is 2.05 Å. The V(2)-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 5-coordinate geometry to one Lu(1), one Lu(3), one Sc(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Lu(1), one Lu(2), one Sc(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Lu(1), one Lu(2), one Lu(3), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Lu(2), one Lu(3), one Sc(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded to one Lu(1), one Sc(1), and two equivalent V(1) atoms to form distorted OLuScV2 trigonal pyramids that share corners with two equivalent O(7)Lu2V2 trigonal pyramids and corners with two equivalent O(6)LuScV2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Lu(1), one Sc(1), and two equivalent V(2) atoms to form distorted OLuScV2 trigonal pyramids that share corners with two equivalent O(8)Lu2V2 trigonal pyramids and corners with two equivalent O(5)LuScV2 trigonal pyramids. In the seventh O site, O(7) is bonded to one Lu(2), one Lu(3), and two equivalent V(1) atoms to form distorted OLu2V2 trigonal pyramids that share corners with two equivalent O(8)Lu2V2 trigonal pyramids and corners with two equivalent O(5)LuScV2 trigonal pyramids. In the eighth O site, O(8) is bonded to one Lu(2), one Lu(3), and two equivalent V(2) atoms to form distorted OLu2V2 trigonal pyramids that share corners with two equivalent O(7)Lu2V2 trigonal pyramids and corners with two equivalent O(6)LuScV2 trigonal pyramids.