Icosahedral B{sub 12}, macropolyhedral boranes, {beta}-rhombohedral boron and boron-rich solids
- School of Chemistry, University of Hyderabad, Hyderabad 500046 (India) and Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore 560012 (India)
The preference for icosahedral B{sub 12} amongst polyhedral boranes and elemental boron is explained based on an optimization of overlap model. The ingenious ways in which elemental boron and boron-rich solids achieve icosahedron-related structures are explained by a fragment approach. The Jemmis mno rules are used to get the electron requirements. The extra occupancies and vacancies in {beta}-rhombohedral structures are shown to be inevitable results of electron requirements. The detailed understanding of the structure suggests ways of doping {beta}-rhombohedral boron with metals for desired properties. Theoretical studies of model {beta}-rhombohedral solids with metal dopings provide support for the analysis. - Graphical abstract: A short legend: Principal building blocks B{sub 12}, B{sub 57}, and B{sub 84} of elemental boron and boron-rich solids.
- OSTI ID:
- 20905436
- Journal Information:
- Journal of Solid State Chemistry, Vol. 179, Issue 9; Conference: 15. international symposium on boron, borides and related compounds, Hamburg (Germany), 21-26 Aug 2005; Other Information: DOI: 10.1016/j.jssc.2005.11.041; PII: S0022-4596(05)00575-X; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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