Lu2TeO6 crystallizes in the monoclinic C2/c 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(4), 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 distorted body-centered cubic geometry to two equivalent O(4), two equivalent O(6), and four equivalent O(5) atoms. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. Te(1) is bonded in a distorted trigonal bipyramidal geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu(2) and one Te(1) atom. In the second O site, O(6) is bonded to one Lu(1), one Lu(2), one Lu(3), and one Te(1) atom to form OLu3Te tetrahedra that share corners with two equivalent O(6)Lu3Te tetrahedra, corners with four equivalent O(1)Lu4 tetrahedra, and  an edgeedge with one O(1)Lu4 tetrahedra. In the third O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Lu(3) atoms to form OLu4 tetrahedra that share corners with two equivalent O(1)Lu4 tetrahedra, corners with four equivalent O(6)Lu3Te tetrahedra,  an edgeedge with one O(6)Lu3Te tetrahedra, and edges with three equivalent O(1)Lu4 tetrahedra. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one Te(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one Te(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Lu(1), one Lu(2), one Lu(3), and one Te(1) atom.
Lu2TeO6 crystallizes in the monoclinic C2/c 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(4), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Lu(1)-O(4) bond length is 2.61 Å. The Lu(1)-O(6) bond length is 2.31 Å. There is one shorter (2.14 Å) and one longer (2.25 Å) Lu(1)-O(1) bond length. There is one shorter (2.33 Å) and one longer (2.46 Å) Lu(1)-O(2) bond length. There is one shorter (2.29 Å) and one longer (2.44 Å) Lu(1)-O(3) bond length. In the second Lu site, Lu(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(4), two equivalent O(6), and four equivalent O(5) atoms. Both Lu(2)-O(4) bond lengths are 2.32 Å. Both Lu(2)-O(6) bond lengths are 2.36 Å. There are two shorter (2.28 Å) and two longer (2.31 Å) Lu(2)-O(5) bond lengths. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(6), and four equivalent O(1) atoms. Both Lu(3)-O(4) bond lengths are 2.75 Å. Both Lu(3)-O(6) bond lengths are 2.31 Å. There are two shorter (2.15 Å) and two longer (2.31 Å) Lu(3)-O(1) bond lengths. Te(1) is bonded in a distorted trigonal bipyramidal geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. The Te(1)-O(2) bond length is 1.91 Å. The Te(1)-O(3) bond length is 1.90 Å. The Te(1)-O(4) bond length is 1.90 Å. The Te(1)-O(5) bond length is 1.88 Å. The Te(1)-O(6) bond length is 2.02 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Lu(2) and one Te(1) atom. In the second O site, O(6) is bonded to one Lu(1), one Lu(2), one Lu(3), and one Te(1) atom to form OLu3Te tetrahedra that share corners with two equivalent O(6)Lu3Te tetrahedra, corners with four equivalent O(1)Lu4 tetrahedra, and  an edgeedge with one O(1)Lu4 tetrahedra. In the third O site, O(1) is bonded to two equivalent Lu(1) and two equivalent Lu(3) atoms to form OLu4 tetrahedra that share corners with two equivalent O(1)Lu4 tetrahedra, corners with four equivalent O(6)Lu3Te tetrahedra,  an edgeedge with one O(6)Lu3Te tetrahedra, and edges with three equivalent O(1)Lu4 tetrahedra. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one Te(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one Te(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Lu(1), one Lu(2), one Lu(3), and one Te(1) atom.