Lu2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Lu site, Lu(2) is bonded to one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LuO7 pentagonal bipyramids that share corners with three equivalent W(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Lu(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-47°. W(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 WO6 octahedra that share corners with three equivalent Lu(2)O7 pentagonal bipyramids and edges with two equivalent Lu(2)O7 pentagonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Lu(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Lu(1), one Lu(2), and one W(1) atom. In the fifth O site, O(5) is bonded to one Lu(1), two equivalent Lu(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OLu3W tetrahedra. In the sixth O site, O(6) is bonded to one Lu(1), two equivalent Lu(2), and one W(1) atom to form a mixture of corner and edge-sharing OLu3W tetrahedra.
Lu2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. The Lu(1)-O(2) bond length is 2.23 Å. The Lu(1)-O(3) bond length is 2.32 Å. The Lu(1)-O(4) bond length is 2.26 Å. The Lu(1)-O(5) bond length is 2.55 Å. The Lu(1)-O(6) bond length is 2.22 Å. There is one shorter (2.16 Å) and one longer (2.17 Å) Lu(1)-O(1) bond length. In the second Lu site, Lu(2) is bonded to one O(2), one O(3), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted LuO7 pentagonal bipyramids that share corners with three equivalent W(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and edges with two equivalent Lu(2)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 40-47°. The Lu(2)-O(2) bond length is 2.21 Å. The Lu(2)-O(3) bond length is 2.28 Å. The Lu(2)-O(4) bond length is 2.26 Å. There is one shorter (2.20 Å) and one longer (2.34 Å) Lu(2)-O(5) bond length. There is one shorter (2.25 Å) and one longer (2.35 Å) Lu(2)-O(6) bond length. W(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 WO6 octahedra that share corners with three equivalent Lu(2)O7 pentagonal bipyramids and edges with two equivalent Lu(2)O7 pentagonal bipyramids. The W(1)-O(1) bond length is 1.93 Å. The W(1)-O(2) bond length is 1.85 Å. The W(1)-O(3) bond length is 1.91 Å. The W(1)-O(4) bond length is 1.89 Å. The W(1)-O(5) bond length is 1.95 Å. The W(1)-O(6) bond length is 2.00 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Lu(1) and one W(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one W(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Lu(1), one Lu(2), and one W(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Lu(1), one Lu(2), and one W(1) atom. In the fifth O site, O(5) is bonded to one Lu(1), two equivalent Lu(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing OLu3W tetrahedra. In the sixth O site, O(6) is bonded to one Lu(1), two equivalent Lu(2), and one W(1) atom to form a mixture of corner and edge-sharing OLu3W tetrahedra.