Lu3NbO7 crystallizes in the monoclinic Pc space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(1) atoms to form distorted corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Lu site, Lu(3) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(5), and two equivalent O(7) atoms. Nb(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(4), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Lu(2), one Lu(3), and two equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra, and  an edgeedge with one O(7)Lu3Nb tetrahedra. In the second O site, O(2) is bonded to one Lu(1), two equivalent Lu(2), and one Nb(1) atom to form distorted OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(4)Lu3Nb tetrahedra. In the third O site, O(3) is bonded to one Lu(2), one Lu(3), and two equivalent Nb(1) atoms to form distorted OLu2Nb2 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra,  an edgeedge with one O(7)Lu3Nb tetrahedra, and edges with two equivalent O(6)Lu2Nb2 tetrahedra. In the fourth O site, O(4) is bonded to one Lu(1), two equivalent Lu(2), and one Nb(1) atom to form OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(2)Lu3Nb tetrahedra. In the fifth O site, O(5) is bonded to one Lu(1), two equivalent Lu(3), and one Nb(1) atom to form distorted OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(7)Lu3Nb tetrahedra. In the sixth O site, O(6) is bonded to one Lu(2), one Lu(3), and two equivalent Nb(1) atoms to form distorted OLu2Nb2 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra,  an edgeedge with one O(7)Lu3Nb tetrahedra, and edges with two equivalent O(3)Lu2Nb2 tetrahedra. In the seventh O site, O(7) is bonded to one Lu(1), two equivalent Lu(3), and one Nb(1) atom to form OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(5)Lu3Nb tetrahedra.
Lu3NbO7 crystallizes in the monoclinic Pc space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(1) atoms to form distorted corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 68°. The Lu(1)-O(2) bond length is 2.22 Å. The Lu(1)-O(4) bond length is 2.22 Å. The Lu(1)-O(5) bond length is 2.23 Å. The Lu(1)-O(7) bond length is 2.19 Å. There is one shorter (2.23 Å) and one longer (2.24 Å) Lu(1)-O(1) bond length. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms. The Lu(2)-O(1) bond length is 2.20 Å. The Lu(2)-O(3) bond length is 2.52 Å. The Lu(2)-O(6) bond length is 2.04 Å. There is one shorter (2.19 Å) and one longer (2.44 Å) Lu(2)-O(2) bond length. There is one shorter (2.18 Å) and one longer (2.44 Å) Lu(2)-O(4) bond length. In the third Lu site, Lu(3) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(5), and two equivalent O(7) atoms. The Lu(3)-O(1) bond length is 2.19 Å. The Lu(3)-O(3) bond length is 2.05 Å. The Lu(3)-O(6) bond length is 2.51 Å. There is one shorter (2.21 Å) and one longer (2.44 Å) Lu(3)-O(5) bond length. There is one shorter (2.17 Å) and one longer (2.41 Å) Lu(3)-O(7) bond length. Nb(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(4), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms. The Nb(1)-O(2) bond length is 2.17 Å. The Nb(1)-O(4) bond length is 2.19 Å. The Nb(1)-O(5) bond length is 2.20 Å. The Nb(1)-O(7) bond length is 2.24 Å. There is one shorter (2.09 Å) and one longer (2.28 Å) Nb(1)-O(3) bond length. There is one shorter (2.00 Å) and one longer (2.39 Å) Nb(1)-O(6) bond length. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Lu(2), one Lu(3), and two equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra, and  an edgeedge with one O(7)Lu3Nb tetrahedra. In the second O site, O(2) is bonded to one Lu(1), two equivalent Lu(2), and one Nb(1) atom to form distorted OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(4)Lu3Nb tetrahedra. In the third O site, O(3) is bonded to one Lu(2), one Lu(3), and two equivalent Nb(1) atoms to form distorted OLu2Nb2 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra,  an edgeedge with one O(7)Lu3Nb tetrahedra, and edges with two equivalent O(6)Lu2Nb2 tetrahedra. In the fourth O site, O(4) is bonded to one Lu(1), two equivalent Lu(2), and one Nb(1) atom to form OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(2)Lu3Nb tetrahedra. In the fifth O site, O(5) is bonded to one Lu(1), two equivalent Lu(3), and one Nb(1) atom to form distorted OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(7)Lu3Nb tetrahedra. In the sixth O site, O(6) is bonded to one Lu(2), one Lu(3), and two equivalent Nb(1) atoms to form distorted OLu2Nb2 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra,  an edgeedge with one O(7)Lu3Nb tetrahedra, and edges with two equivalent O(3)Lu2Nb2 tetrahedra. In the seventh O site, O(7) is bonded to one Lu(1), two equivalent Lu(3), and one Nb(1) atom to form OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(5)Lu3Nb tetrahedra.