Weidenthaler, ClaudiaFrankcombe, TerryFelderhoff, Michael2015-12-100020-1669http://hdl.handle.net/1885/56508A 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 = 8.200610.1021/ic06020422015-12-09