Ce2Fe12Co5N3 crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a trigonal planar geometry to one Co(2), three equivalent Co(1), and three equivalent N(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Co(1), two equivalent Co(2), and one N(1) atom. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Co(2), two equivalent Co(1), and one N(1) atom. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ce(1), four equivalent Fe(1), four equivalent Fe(2), and two equivalent Co(2) atoms to form distorted CoCe2Fe8Co2 cuboctahedra that share corners with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra, corners with two equivalent N(1)Ce2Fe4 octahedra, faces with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra, and faces with four equivalent N(1)Ce2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. In the second Co site, Co(2) is bonded in a 14-coordinate geometry to one Ce(1), three equivalent Fe(2), six equivalent Fe(1), one Co(2), and three equivalent Co(1) atoms. N(1) is bonded to two equivalent Ce(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NCe2Fe4 octahedra that share corners with two equivalent Co(1)Ce2Fe8Co2 cuboctahedra, corners with four equivalent N(1)Ce2Fe4 octahedra, and faces with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
Ce2Fe12Co5N3 crystallizes in the trigonal R-3m space group. Ce(1) is bonded in a trigonal planar geometry to one Co(2), three equivalent Co(1), and three equivalent N(1) atoms. The Ce(1)-Co(2) bond length is 3.16 Å. All Ce(1)-Co(1) bond lengths are 3.34 Å. All Ce(1)-N(1) bond lengths are 2.49 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to two equivalent Co(1), two equivalent Co(2), and one N(1) atom. Both Fe(1)-Co(1) bond lengths are 2.45 Å. Both Fe(1)-Co(2) bond lengths are 2.69 Å. The Fe(1)-N(1) bond length is 1.89 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one Co(2), two equivalent Co(1), and one N(1) atom. The Fe(2)-Co(2) bond length is 2.62 Å. Both Fe(2)-Co(1) bond lengths are 2.44 Å. The Fe(2)-N(1) bond length is 1.93 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent Ce(1), four equivalent Fe(1), four equivalent Fe(2), and two equivalent Co(2) atoms to form distorted CoCe2Fe8Co2 cuboctahedra that share corners with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra, corners with two equivalent N(1)Ce2Fe4 octahedra, faces with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra, and faces with four equivalent N(1)Ce2Fe4 octahedra. The corner-sharing octahedral tilt angles are 45°. Both Co(1)-Co(2) bond lengths are 2.65 Å. In the second Co site, Co(2) is bonded in a 14-coordinate geometry to one Ce(1), three equivalent Fe(2), six equivalent Fe(1), one Co(2), and three equivalent Co(1) atoms. The Co(2)-Co(2) bond length is 2.35 Å. N(1) is bonded to two equivalent Ce(1), two equivalent Fe(1), and two equivalent Fe(2) atoms to form NCe2Fe4 octahedra that share corners with two equivalent Co(1)Ce2Fe8Co2 cuboctahedra, corners with four equivalent N(1)Ce2Fe4 octahedra, and faces with four equivalent Co(1)Ce2Fe8Co2 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.