NaV2O4 is Spinel structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NaO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one V(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing ONaV3 tetrahedra. In the second O site, O(2) is bonded to one Na(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing ONaV3 tetrahedra.
NaV2O4 is Spinel structured and crystallizes in the monoclinic C2/c space group. Na(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NaO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. Both Na(1)-O(1) bond lengths are 2.19 Å. Both Na(1)-O(2) bond lengths are 2.17 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. Both V(1)-O(2) bond lengths are 1.91 Å. All V(1)-O(1) bond lengths are 2.03 Å. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Na(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. Both V(2)-O(1) bond lengths are 2.03 Å. There are two shorter (2.05 Å) and two longer (2.12 Å) V(2)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Na(1), one V(2), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing ONaV3 tetrahedra. In the second O site, O(2) is bonded to one Na(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing ONaV3 tetrahedra.