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First Crystal Structure Studies of CaAlH5

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Weidenthaler,  Claudia
Research Department Schüth, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Felderhoff,  Michael
Research Department Schüth, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Citation

Weidenthaler, C., Frankcombe, T. J., & Felderhoff, M. (2006). First Crystal Structure Studies of CaAlH5. Inorganic Chemistry, 45(10), 3849-3851. doi:10.1021/ic0602042.


Cite as: http://hdl.handle.net/11858/00-001M-0000-000F-93D1-6
Abstract
A new member of the aluminum hydride family, CaAlH5, is formed during the decomposition of Ca(AlH4)2. The crystal structure of this new compound was calculated by density functional theory band-structure calculations and confirmed by X-ray powder diffraction analysis. The structure crystallizes in space group P21/n (No. 14), with a = 8.3797(9) Å, b = 6.9293(8) Å, c = 9.8138(11) Å, β = 93.78(1)°, and Z = 8.