First crystal structure studies of CaAlH5

被引：39

作者：

Weidenthaler, Claudia

Frankcombe, Terry J.

Felderhoff, Michael

机构：

[1] Max Planck Inst Kohlenforsch, D-45470 Mulheim, Germany

[2] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands

来源：

INORGANIC CHEMISTRY | 2006年 / 45卷 / 10期

关键词：

D O I：

10.1021/ic0602042

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

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) angstrom, b = 6.9293(8) angstrom, c = 9.8138(11) angstrom, beta = 93.78(1)degrees, and Z = 8.

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页码：3849 / 3851

页数：3

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