LiB13C2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded in a 11-coordinate geometry to one B(5), two equivalent B(1), and eight equivalent B(3) atoms. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Li(1), one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. In the second B site, B(2) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(3), and one C(1) atom. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Li(1), one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(3), and one C(1) atom. In the fifth B site, B(5) is bonded in a linear geometry to one Li(1) and two equivalent C(1) atoms. C(1) is bonded to one B(4), one B(5), and two equivalent B(2) atoms to form corner-sharing CB4 tetrahedra.
LiB13C2 crystallizes in the orthorhombic Imma space group. Li(1) is bonded in a 11-coordinate geometry to one B(5), two equivalent B(1), and eight equivalent B(3) atoms. The Li(1)-B(5) bond length is 2.68 Å. Both Li(1)-B(1) bond lengths are 2.49 Å. There are four shorter (2.45 Å) and four longer (2.76 Å) Li(1)-B(3) bond lengths. There are five inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to one Li(1), one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. The B(1)-B(1) bond length is 1.80 Å. The B(1)-B(4) bond length is 1.83 Å. Both B(1)-B(2) bond lengths are 1.84 Å. Both B(1)-B(3) bond lengths are 1.82 Å. In the second B site, B(2) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(3), and one C(1) atom. There is one shorter (1.77 Å) and one longer (1.83 Å) B(2)-B(3) bond length. The B(2)-C(1) bond length is 1.62 Å. In the third B site, B(3) is bonded in a 8-coordinate geometry to two equivalent Li(1), one B(1), one B(4), two equivalent B(2), and two equivalent B(3) atoms. The B(3)-B(4) bond length is 1.80 Å. There is one shorter (1.78 Å) and one longer (1.82 Å) B(3)-B(3) bond length. In the fourth B site, B(4) is bonded in a distorted single-bond geometry to one B(1), two equivalent B(3), and one C(1) atom. The B(4)-C(1) bond length is 1.63 Å. In the fifth B site, B(5) is bonded in a linear geometry to one Li(1) and two equivalent C(1) atoms. Both B(5)-C(1) bond lengths are 1.41 Å. C(1) is bonded to one B(4), one B(5), and two equivalent B(2) atoms to form corner-sharing CB4 tetrahedra.