Synthesis, crystal structure and thermal decomposition of LiCa(AlH₄)₃

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• 作者：D.M. Liu ; Z.X. Qian ; T.Z. Si ; Q.A. Zhang ; ^{zhang03jp@yahoo.com.cn}
• 关键词：Lithium&ndash ; calcium alanate ; Synthesis ; Crystal structure ; Dehydrogenation property
• 刊名：Journal of Alloys and Compounds
• 出版年：2012
• 期刊代码：45_09258388
• 类别：ms
• 出版时间：15 April, 2012
• 卷：520
• 期：Complete
• 页码：202-206
• 文件大小：729 K

摘要

Lithium-calcium alanate, LiCa(AlH₄)₃, was synthesized by a mechano-chemically activated reaction of LiAlH₄ with CaCl₂ in a molar ratio of 3:1. The results of X-ray diffraction (XRD) and Fourier transform infra-red (FTIR) spectroscopy indicated that the reactants converted entirely into LiCa(AlH₄)₃ accompanied with a by-product LiCl after 30 h ball-milling. LiCa(AlH₄)₃ crystallized in a hexagonal structure with space group P6₃/m (No. 176), and with cell parameters a = b = 8.9197(12) and c = 5.8887(7) 脜. Thermal decomposition of LiCa(AlH₄)₃ initiated around 120 掳C and proceeded mainly in three steps. The first two steps could be assigned to the formation of CaH₂, LiH and Al, with LiCaAlH₆ as a possible intermediate, and the third step was the further formation of some CaAl intermetallic phases.