NaYSiO4 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 Y(1)O6 pentagonal pyramids, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Y(1)O6 pentagonal pyramids, and edges with two equivalent Si(1)O4 tetrahedra. Y(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form YO6 pentagonal pyramids that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Y(1)O6 pentagonal pyramids, 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 64-70°. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Y(1)O6 pentagonal pyramids, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Y(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Y(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 Y(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Y(1), and one Si(1) atom.
NaYSiO4 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 Y(1)O6 pentagonal pyramids, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Na(1)O6 octahedra, edges with two equivalent Y(1)O6 pentagonal pyramids, and edges with two equivalent Si(1)O4 tetrahedra. Both Na(1)-O(1) bond lengths are 2.44 Å. Both Na(1)-O(2) bond lengths are 2.41 Å. Both Na(1)-O(3) bond lengths are 2.50 Å. Y(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form YO6 pentagonal pyramids that share corners with four equivalent Na(1)O6 octahedra, corners with four equivalent Y(1)O6 pentagonal pyramids, 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 64-70°. The Y(1)-O(1) bond length is 2.29 Å. The Y(1)-O(2) bond length is 2.23 Å. There are two shorter (2.29 Å) and two longer (2.36 Å) Y(1)-O(3) bond lengths. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with two equivalent Na(1)O6 octahedra, corners with four equivalent Y(1)O6 pentagonal pyramids, edges with two equivalent Na(1)O6 octahedra, and  an edgeedge with one Y(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 61°. The Si(1)-O(1) bond length is 1.63 Å. The Si(1)-O(2) bond length is 1.64 Å. Both Si(1)-O(3) bond lengths are 1.68 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Y(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 Y(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Na(1), two equivalent Y(1), and one Si(1) atom.