Crystal structure of α-AlB12
作者： Iwami Higashi , Tosio Sakurai , Tetsuzo Atoda
DOI: 10.1016/0022-4596(77)90052-4
关键词: Icosahedral symmetry 、 Fourier transform 、 Diffraction 、 Boron 、 Crystal 、 Tetragonal crystal system 、 Group (periodic table) 、 Crystallography 、 Crystal structure 、 Chemistry 、 Physical and Theoretical Chemistry 、 Inorganic chemistry 、 Materials Chemistry 、 Electronic, Optical and Magnetic Materials 、 Condensed matter physics 、 Ceramics and Composites
摘要: Abstract The crystal structure of α-AlB12 (tetragonal; a = 10.158(2) A, c 14.270(5) space group P41212 or P43212) has been determined by the single-crystal X-ray diffraction method. It was solved Fourier technique initially based on partial B12 icosahedral structure, which inferred from chemical considerations. Refinement made with aid full-matrix least-squares program leading to final R value 3.0%. is three-dimensional framework consisting icosahedra, B19 units, and single B atoms; unit twinned icosahedron triangular composition plane vacant apex each side. Al3.2·2B12·B·B19 its number in cell 4. Al atoms are distributed statistically over five sites boron framework. occupancies 72, 49, 24, 15, 2%, respectively.
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