NaI(OF)2 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form edge-sharing NaO2F4 octahedra. O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one I(1) atom. I(1) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent F(1) atoms. F(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one I(1) atom.
NaI(OF)2 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form edge-sharing NaO2F4 octahedra. Both Na(1)-O(1) bond lengths are 2.39 Å. All Na(1)-F(1) bond lengths are 2.39 Å. O(1) is bonded in a distorted bent 150 degrees geometry to one Na(1) and one I(1) atom. The O(1)-I(1) bond length is 1.80 Å. I(1) is bonded in a see-saw-like geometry to two equivalent O(1) and two equivalent F(1) atoms. Both I(1)-F(1) bond lengths are 2.07 Å. F(1) is bonded in a trigonal planar geometry to two equivalent Na(1) and one I(1) atom.