Structure of B13C2.

摘要: By comparing calculated lattice constants with x-ray data as well by comparison of free energies, we find that the correct structure ${\mathrm{B}}_{13}$${\mathrm{C}}_{2}$ is ${\mathrm{B}}_{12}$(CBC) rather than ${\mathrm{B}}_{11}$C(BBC), had been suggested. We also show ${\mathrm{B}}_{12}$${\mathrm{C}}_{3}$ stable against ${13\mathrm{B}}_{12}$${\mathrm{C}}_{3}$\ensuremath{\rightarrow}${12\mathrm{B}}_{13}$${\mathrm{C}}_{2}$+15C ${3\mathrm{B}}_{13}$${\mathrm{C}}_{2}$\ensuremath{\rightarrow}${2\mathrm{B}}_{12}$${\mathrm{C}}_{3}$+15B.