First crystal structure studies of CaAlH5

Date

2006

Authors

Weidenthaler, Claudia
Frankcombe, Terry
Felderhoff, Michael

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

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.

Description

Keywords

Citation

Source

Inorganic Chemistry

Type

Journal article

Book Title

Entity type

Access Statement

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DOI

10.1021/ic0602042

Restricted until

2037-12-31