LaFe2AsN crystallizes in the orthorhombic Cmcm space group. La(1) is bonded in a 4-coordinate geometry to three equivalent As(1) and four equivalent N(1) atoms. Fe(1) is bonded in a distorted single-bond geometry to three equivalent As(1) and one N(1) atom. As(1) is bonded in a 9-coordinate geometry to three equivalent La(1) and six equivalent Fe(1) atoms. N(1) is bonded to four equivalent La(1) and two equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NLa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 20°.
LaFe2AsN crystallizes in the orthorhombic Cmcm space group. La(1) is bonded in a 4-coordinate geometry to three equivalent As(1) and four equivalent N(1) atoms. There is one shorter (3.03 Å) and two longer (3.15 Å) La(1)-As(1) bond lengths. All La(1)-N(1) bond lengths are 2.64 Å. Fe(1) is bonded in a distorted single-bond geometry to three equivalent As(1) and one N(1) atom. There is one shorter (2.43 Å) and two longer (2.45 Å) Fe(1)-As(1) bond lengths. The Fe(1)-N(1) bond length is 1.91 Å. As(1) is bonded in a 9-coordinate geometry to three equivalent La(1) and six equivalent Fe(1) atoms. N(1) is bonded to four equivalent La(1) and two equivalent Fe(1) atoms to form a mixture of edge and corner-sharing NLa4Fe2 octahedra. The corner-sharing octahedral tilt angles are 20°.