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    The crystal structure of LiMgAlD 6 from combined neutron and synchrotron X-ray powder diffraction

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    Abstract LiMgAlH 6 is the intermediate phase when LiMg(AlH 4 ) 3 is heated. It contains 9.4 wt.% hydrogen, of which 4.8 wt.% is released during the decomposition step to MgH 2 and LiH. Deuterated LiMgAlD 6 was prepared by heat-treating LiMg(AlD 4 ) 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. LiMgAlD 6 crystallizes in the trigonal space group P321 with a = 7.9856(4)Å and c = 4.3789(3)Å. The structure consists of isolated AlD 6 octahedra connected through octahedrally coordinated Mg-and Li-atoms
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