Ce4B2N5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(3), and three equivalent N(1) atoms. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(2), and three equivalent N(3) atoms. B(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), and one B(1) atom. In the second N site, N(2) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form edge-sharing NCe6 octahedra. In the third N site, N(3) is bonded in a 6-coordinate geometry to two equivalent Ce(1), three equivalent Ce(2), and one B(1) atom.
Ce4B2N5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(3), and three equivalent N(1) atoms. The Ce(1)-N(2) bond length is 2.59 Å. Both Ce(1)-N(3) bond lengths are 2.57 Å. There is one shorter (2.40 Å) and two longer (2.51 Å) Ce(1)-N(1) bond lengths. In the second Ce site, Ce(2) is bonded in a 7-coordinate geometry to two equivalent N(1), two equivalent N(2), and three equivalent N(3) atoms. Both Ce(2)-N(1) bond lengths are 2.68 Å. Both Ce(2)-N(2) bond lengths are 2.55 Å. There is one shorter (2.38 Å) and two longer (2.65 Å) Ce(2)-N(3) bond lengths. B(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(3) atom. The B(1)-N(1) bond length is 1.48 Å. The B(1)-N(3) bond length is 1.49 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), and one B(1) atom. In the second N site, N(2) is bonded to two equivalent Ce(1) and four equivalent Ce(2) atoms to form edge-sharing NCe6 octahedra. In the third N site, N(3) is bonded in a 6-coordinate geometry to two equivalent Ce(1), three equivalent Ce(2), and one B(1) atom.