First crystal structure studies of CaAlH5.
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 P2(1)/n (No. 14), with a = 8.3797(9) angstroms, b = 6.9293(8) angstroms, c = 9.8138(11) angstroms, beta = 93.78(1) degrees, and Z = 8.
Weidenthaler
Claudia
C
Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim, Germany. weidenthaler@mpi-muelheim.mpg.de
Frankcombe
Terry J
TJ
Felderhoff
Michael
M