Mo2N is Anatase structured and crystallizes in the tetragonal I4_1/amd space group. Mo(1) is bonded in a T-shaped geometry to three equivalent N(1) atoms. N(1) is bonded to six equivalent Mo(1) atoms to form a mixture of corner and edge-sharing NMo6 octahedra. The corner-sharing octahedral tilt angles are 6°.
Mo2N is Anatase structured and crystallizes in the tetragonal I4_1/amd space group. Mo(1) is bonded in a T-shaped geometry to three equivalent N(1) atoms. There is one shorter (2.09 Å) and two longer (2.13 Å) Mo(1)-N(1) bond lengths. N(1) is bonded to six equivalent Mo(1) atoms to form a mixture of corner and edge-sharing NMo6 octahedra. The corner-sharing octahedral tilt angles are 6°.