On the Formation and the Structure of the First Bimetallic Borohydride Borate, LiCa3(BH4)(BO3)2

Title
On the Formation and the Structure of the First Bimetallic Borohydride Borate, LiCa3(BH4)(BO3)2
Authors
이영수Yaroslav Filinchuk이현숙서진유김지우유종성조영환
Issue Date
2011-05
Publisher
The journal of physical chemistry. C, Nanomaterials and Interfaces
Citation
VOL 115, NO 20, 10298-10304
Abstract
We present the first report on the formation and the crystal structure of a bimetallic borohydride borate, LiCa3(BH4)(BO3)2. It is discovered during decomposition of LiBH4-Ca(BH4)2-carbon composite studied for hydrogen storage. A small amount of oxygen impurity in the starting material or introduced during sample preparation gives rise to the formation of [BO3]3-. Its crystal structure was solved from synchrotron powder diffraction data as space group Fd3m and a = 14.5911(2) Å at 387 ℃. The experimental structural parameters are closely reproduced and the orientational disorder in [BH4]- is confirmed by first-principles calculations.
URI
http://pubs.kist.re.kr/handle/201004/39760
ISSN
1932-7447
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KIST Publication > Article
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