The crystal structure of LiMgAlD₆ from combined neutron and synchrotron X-ray powder diffraction

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• 作者：Hilde Grove ; Hendrik W. Brinks ; Ole M. Lø ; vvik ; Richard H. Heyn ; Bjø ; rn C. Hauback
• 关键词：Metal hydrides ; Mixed alanates ; Crystal structure ; Synchrotron X-ray powder diffraction ; Neutron powder diffraction
• 刊名：Journal of Alloys and Compounds
• 出版年：2008
• 期刊代码：45_09258388
• 类别：ms
• 出版时间：28 July 2008
• 卷：460
• 期：1-2
• 页码：64-68
• 文件大小：311 K

摘要

LiMgAlH₆ is the intermediate phase when LiMg(AlH₄)₃ is heated. It contains 9.4 wt.%hydrogen, of which 4.8 wt.%is released during the decomposition step to MgH₂ and LiH. Deuterated LiMgAlD₆ was prepared by heat-treating LiMg(AlD₄)₃ at 130 °C. Powder neutron and synchrotron X-ray diffraction patterns were measured and the structure was refined using the Rietveld technique on both patterns simultaneously. LiMgAlD₆ crystallizes in the trigonal space group P321 with a = 7.9856(4) Å and c = 4.3789(3) Å. The structure consists of isolated AlD₆ octahedra connected through octahedrally coordinated Mg- and Li-atoms.