CeBN2 crystallizes in the triclinic P-1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one N(3), two equivalent N(1), two equivalent N(2), two equivalent N(4), and two equivalent N(5) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to one N(2), one N(5), two equivalent N(3), two equivalent N(4), and two equivalent N(6) atoms. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), one N(5), and one N(6) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one N(2), one N(3), and one N(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(6) atom. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one Ce(3), two equivalent Ce(1), one B(2), and one B(3) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one Ce(3), two equivalent Ce(1), one B(1), and one B(2) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one Ce(1), one Ce(3), two equivalent Ce(2), and one B(1) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Ce(3), two equivalent Ce(1), two equivalent Ce(2), and one B(3) atom. In the fifth N site, N(5) is bonded in a 1-coordinate geometry to one Ce(2), one Ce(3), two equivalent Ce(1), and one B(2) atom. In the sixth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one Ce(3), two equivalent Ce(2), one B(1), and one B(3) atom.
CeBN2 crystallizes in the triclinic P-1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one N(3), two equivalent N(1), two equivalent N(2), two equivalent N(4), and two equivalent N(5) atoms. The Ce(1)-N(3) bond length is 2.85 Å. There is one shorter (2.63 Å) and one longer (2.77 Å) Ce(1)-N(1) bond length. There is one shorter (2.47 Å) and one longer (2.74 Å) Ce(1)-N(2) bond length. There is one shorter (2.57 Å) and one longer (2.59 Å) Ce(1)-N(4) bond length. There is one shorter (2.52 Å) and one longer (3.02 Å) Ce(1)-N(5) bond length. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to one N(2), one N(5), two equivalent N(3), two equivalent N(4), and two equivalent N(6) atoms. The Ce(2)-N(2) bond length is 2.78 Å. The Ce(2)-N(5) bond length is 2.32 Å. There is one shorter (2.37 Å) and one longer (2.60 Å) Ce(2)-N(3) bond length. Both Ce(2)-N(4) bond lengths are 2.62 Å. There is one shorter (2.68 Å) and one longer (2.78 Å) Ce(2)-N(6) bond length. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), one N(5), and one N(6) atom. The Ce(3)-N(1) bond length is 2.66 Å. The Ce(3)-N(2) bond length is 2.60 Å. The Ce(3)-N(3) bond length is 2.50 Å. The Ce(3)-N(4) bond length is 2.44 Å. The Ce(3)-N(5) bond length is 2.40 Å. The Ce(3)-N(6) bond length is 2.59 Å. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one N(2), one N(3), and one N(6) atom. The B(1)-N(2) bond length is 1.49 Å. The B(1)-N(3) bond length is 1.45 Å. The B(1)-N(6) bond length is 1.48 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(5) atom. The B(2)-N(1) bond length is 1.47 Å. The B(2)-N(2) bond length is 1.49 Å. The B(2)-N(5) bond length is 1.44 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(6) atom. The B(3)-N(1) bond length is 1.49 Å. The B(3)-N(4) bond length is 1.47 Å. The B(3)-N(6) bond length is 1.49 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one Ce(3), two equivalent Ce(1), one B(2), and one B(3) atom. In the second N site, N(2) is bonded in a distorted bent 120 degrees geometry to one Ce(2), one Ce(3), two equivalent Ce(1), one B(1), and one B(2) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one Ce(1), one Ce(3), two equivalent Ce(2), and one B(1) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one Ce(3), two equivalent Ce(1), two equivalent Ce(2), and one B(3) atom. In the fifth N site, N(5) is bonded in a 1-coordinate geometry to one Ce(2), one Ce(3), two equivalent Ce(1), and one B(2) atom. In the sixth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one Ce(3), two equivalent Ce(2), one B(1), and one B(3) atom.