Powder neutron diffraction of SrNbO2N at room temperature and 1.5 K

The structure of strontium niobium dioxygen nitride, SrNbO2N, has been solved by powder neutron diffraction at room temperature and 1.5 K. SrNbO2N crystallizes in the tetragonal space group I4/mcm, with a = 5.7056 (4) and c = 8.1002 (9) Angstrom at room temperature, and a = 5.6938 (4) and c = 8.0974 (8) Angstrom at 1.5 K. The crystal structure is derived from the cubic perovskite archetype by a slight rotation of the Nb(O,N)(6) octahedra with respect to the tetragonal axis. A partially ordered distribution of oxygen and nitrogen on the anionic sites was found.