TY - JOUR
T1 - Electron density distribution of β-rhombohedral boron constructed from icosahedral cluster
AU - Hosoi, Shizuka
AU - Tanabe, Kenji
AU - Kim, Hongki
AU - Kirihara, Kazuhiro
AU - Soga, Kohei
AU - Kimura, Kaoru
AU - Kato, Kenichi
AU - Takata, Masaki
PY - 2009
Y1 - 2009
N2 - Boron forms unusual structures and chemical bonds. Pure boron and many boron-rich borides have local icosahedra in their crystalline structures. The electron density distribution (EDD) in β-rhombohedral boron (β-B 105) is visualized by the maximum entropy method (MEM)/Rietveld analysis of powder X-ray diffraction (XRD) data in order to discuss the peculiarity of the chemical bonds. In α-rhombohedral boron (α-B 12) and its derivative crystals, peculiar covalent bonds, i.e., intracluster three-center bonds and intercluster bent bonds, have been observed. In β-B105, the intracluster three-center bonds are observed, but the intercluster bent bonds are not. The origin of the bent bond can be explained by the mismatch in the directions of the bond and the lattice vector.
AB - Boron forms unusual structures and chemical bonds. Pure boron and many boron-rich borides have local icosahedra in their crystalline structures. The electron density distribution (EDD) in β-rhombohedral boron (β-B 105) is visualized by the maximum entropy method (MEM)/Rietveld analysis of powder X-ray diffraction (XRD) data in order to discuss the peculiarity of the chemical bonds. In α-rhombohedral boron (α-B 12) and its derivative crystals, peculiar covalent bonds, i.e., intracluster three-center bonds and intercluster bent bonds, have been observed. In β-B105, the intracluster three-center bonds are observed, but the intercluster bent bonds are not. The origin of the bent bond can be explained by the mismatch in the directions of the bond and the lattice vector.
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U2 - 10.1088/1742-6596/176/1/012026
DO - 10.1088/1742-6596/176/1/012026
M3 - Article
AN - SCOPUS:69549120464
VL - 176
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
SN - 1742-6588
M1 - 012026
ER -