Na2Lu3Te4(O4I)3 is Zircon-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one I(1), and three equivalent I(2) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Lu site, Lu(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), one O(3), and one I(2) atom. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(4), one O(5), one O(6), and two equivalent I(2) atoms. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Lu(1), one Lu(2), and one Te(1) atom to form a mixture of corner and edge-sharing ONaLu2Te tetrahedra. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Lu(2), and one Te(2) atom. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(2) atom. In the fourth O site, O(6) is bonded to one Na(1), two equivalent Lu(2), and one Te(2) atom to form a mixture of corner and edge-sharing ONaLu2Te tetrahedra. In the fifth O site, O(1) is bonded to one Na(1), one Lu(1), one Lu(2), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONaLu2Te tetrahedra. In the sixth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted linear geometry to two equivalent Na(1) atoms. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Na(1), one Te(1), and two equivalent Te(2) atoms.
Na2Lu3Te4(O4I)3 is Zircon-derived structured and crystallizes in the monoclinic P2/c space group. Na(1) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one I(1), and three equivalent I(2) atoms. The Na(1)-O(1) bond length is 2.71 Å. The Na(1)-O(3) bond length is 2.24 Å. The Na(1)-O(4) bond length is 2.89 Å. The Na(1)-O(6) bond length is 2.26 Å. The Na(1)-I(1) bond length is 3.30 Å. There are a spread of Na(1)-I(2) bond distances ranging from 3.33-3.39 Å. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Both Lu(1)-O(1) bond lengths are 2.27 Å. Both Lu(1)-O(2) bond lengths are 2.37 Å. Both Lu(1)-O(3) bond lengths are 2.46 Å. Both Lu(1)-O(5) bond lengths are 2.25 Å. In the second Lu site, Lu(2) is bonded in a distorted body-centered cubic geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms. The Lu(2)-O(1) bond length is 2.38 Å. The Lu(2)-O(2) bond length is 2.25 Å. The Lu(2)-O(3) bond length is 2.37 Å. The Lu(2)-O(5) bond length is 2.34 Å. There is one shorter (2.25 Å) and one longer (2.41 Å) Lu(2)-O(4) bond length. There is one shorter (2.36 Å) and one longer (2.44 Å) Lu(2)-O(6) bond length. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a distorted T-shaped geometry to one O(1), one O(2), one O(3), and one I(2) atom. The Te(1)-O(1) bond length is 1.89 Å. The Te(1)-O(2) bond length is 1.90 Å. The Te(1)-O(3) bond length is 1.90 Å. The Te(1)-I(2) bond length is 3.44 Å. In the second Te site, Te(2) is bonded in a distorted T-shaped geometry to one O(4), one O(5), one O(6), and two equivalent I(2) atoms. The Te(2)-O(4) bond length is 1.89 Å. The Te(2)-O(5) bond length is 1.89 Å. The Te(2)-O(6) bond length is 1.91 Å. There is one shorter (3.45 Å) and one longer (3.47 Å) Te(2)-I(2) bond length. There are six inequivalent O sites. In the first O site, O(3) is bonded to one Na(1), one Lu(1), one Lu(2), and one Te(1) atom to form a mixture of corner and edge-sharing ONaLu2Te tetrahedra. In the second O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Lu(2), and one Te(2) atom. In the third O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(2) atom. In the fourth O site, O(6) is bonded to one Na(1), two equivalent Lu(2), and one Te(2) atom to form a mixture of corner and edge-sharing ONaLu2Te tetrahedra. In the fifth O site, O(1) is bonded to one Na(1), one Lu(1), one Lu(2), and one Te(1) atom to form a mixture of distorted corner and edge-sharing ONaLu2Te tetrahedra. In the sixth O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one Te(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted linear geometry to two equivalent Na(1) atoms. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Na(1), one Te(1), and two equivalent Te(2) atoms.