NaMoO3F crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to one O(2), two equivalent O(1), and three equivalent F(1) atoms to form distorted edge-sharing NaO3F3 octahedra. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), three equivalent O(3), and one F(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. F(1) is bonded to three equivalent Na(1) and one Mo(1) atom to form a mixture of corner and edge-sharing FNa3Mo tetrahedra.
NaMoO3F crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to one O(2), two equivalent O(1), and three equivalent F(1) atoms to form distorted edge-sharing NaO3F3 octahedra. The Na(1)-O(2) bond length is 2.41 Å. Both Na(1)-O(1) bond lengths are 2.55 Å. There is one shorter (2.35 Å) and two longer (2.36 Å) Na(1)-F(1) bond lengths. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), three equivalent O(3), and one F(1) atom. The Mo(1)-O(1) bond length is 1.75 Å. The Mo(1)-O(2) bond length is 1.73 Å. There are two shorter (1.98 Å) and one longer (2.39 Å) Mo(1)-O(3) bond length. The Mo(1)-F(1) bond length is 2.17 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Na(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Mo(1) atoms. F(1) is bonded to three equivalent Na(1) and one Mo(1) atom to form a mixture of corner and edge-sharing FNa3Mo tetrahedra.