First crystal structure studies of CaAlH5

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dc.contributor.authorWeidenthaler, Claudia
dc.contributor.authorFrankcombe, Terry
dc.contributor.authorFelderhoff, Michael
dc.date.accessioned2015-12-10T22:36:00Z
dc.date.issued2006
dc.date.updated2015-12-09T10:32:29Z
dc.description.abstractA 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.
dc.identifier.issn0020-1669
dc.identifier.urihttp://hdl.handle.net/1885/56508
dc.publisherAmerican Chemical Society
dc.sourceInorganic Chemistry
dc.titleFirst crystal structure studies of CaAlH5
dc.typeJournal article
local.bibliographicCitation.issue10
local.bibliographicCitation.lastpage3851
local.bibliographicCitation.startpage3849
local.contributor.affiliationWeidenthaler, Claudia, Max Planck Institute
local.contributor.affiliationFrankcombe, Terry, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationFelderhoff, Michael, Max Planck Institute
local.contributor.authoruidFrankcombe, Terry, u3603293
local.description.embargo2037-12-31
local.description.notesImported from ARIES
local.identifier.absfor030606 - Structural Chemistry and Spectroscopy
local.identifier.ariespublicationu4005981xPUB365
local.identifier.citationvolume45
local.identifier.doi10.1021/ic0602042
local.identifier.scopusID2-s2.0-33646916346
local.type.statusPublished Version

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