Materials Data on BC5 by Materials Project

BC5 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. B3+ is bonded to four C+0.60- atoms to form BC4 tetrahedra that share corners with two equivalent BC4 tetrahedra and corners with ten equivalent CC4 tetrahedra. There is two shorter (1.61 Å) and two longer (1.68 Å) B–C bond length. There are three inequivalent C+0.60- sites. In the first C+0.60- site, C+0.60- is bonded to one B3+ and three equivalent C+0.60- atoms to form distorted corner-sharing CBC3 tetrahedra. There is two shorter (1.54 Å) and one longer (1.56 Å) C–C bond length. In the second C+0.60- site, C+0.60- is bonded to four C+0.60- atoms to form CC4 tetrahedra that share corners with five equivalent BC4 tetrahedra and corners with seven equivalent CC4 tetrahedra. The C–C bond length is 1.53 Å. In the third C+0.60- site, C+0.60- is bonded to two equivalent B3+ and two equivalent C+0.60- atoms to form distorted corner-sharing CB2C2 tetrahedra.