NaLuSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with four equivalent Lu(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Lu(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-69°. Lu(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form LuO6 octahedra that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Lu(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-69°. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Lu(1)O6 octahedra,  an edgeedge with one Lu(1)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Lu(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Lu(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Lu(1), and one Si(1) atom.
NaLuSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NaO6 octahedra that share corners with four equivalent Lu(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Lu(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 63-69°. Both Na(1)-O(1) bond lengths are 2.44 Å. Both Na(1)-O(2) bond lengths are 2.40 Å. Both Na(1)-O(3) bond lengths are 2.42 Å. Lu(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form LuO6 octahedra that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Lu(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-69°. The Lu(1)-O(2) bond length is 2.17 Å. The Lu(1)-O(3) bond length is 2.20 Å. There are two shorter (2.23 Å) and two longer (2.30 Å) Lu(1)-O(1) bond lengths. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Lu(1)O6 octahedra,  an edgeedge with one Lu(1)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-62°. The Si(1)-O(2) bond length is 1.64 Å. The Si(1)-O(3) bond length is 1.63 Å. Both Si(1)-O(1) bond lengths are 1.68 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Lu(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Lu(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Lu(1), and one Si(1) atom.