LiB crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to six equivalent B(1) atoms to form a mixture of distorted corner, face, and edge-sharing LiB6 octahedra. The corner-sharing octahedral tilt angles are 61°. B(1) is bonded in a 8-coordinate geometry to six equivalent Li(1) and two equivalent B(1) atoms.
LiB crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to six equivalent B(1) atoms to form a mixture of distorted corner, face, and edge-sharing LiB6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two shorter (2.21 Å) and four longer (2.52 Å) Li(1)-B(1) bond lengths. B(1) is bonded in a 8-coordinate geometry to six equivalent Li(1) and two equivalent B(1) atoms. Both B(1)-B(1) bond lengths are 1.57 Å.