Abstract
A single crystal of well-established composition B 13C 2 was used for a new and thorough structural analysis by X-ray diffraction. Unbiased atomic parameters refined from high-order data ( R = 0.0256) were used for ( X- X) difference Fourier syntheses representing dynamic deformation densities. Further studies of the electron density distribution were carried out by a multipole refinement using all reflections ( R = 0.0278). The resulting atomic multipole coefficients were utilized for the evaluation of static electron deformation densities. The analysis of both experimental deformation density distributions corroborates the main features of the bonding in B 13C 2 deduced from earlier calculations on the isolated B 12 icosahedron by LonguetHiggins and Roberts using the linear combination of atomic orbitals.
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