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The crystal structure of LiMgAlD6 from combined neutron and synchrotron X-ray powder diffraction |
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| Authors: | Hilde Grove Hendrik W Brinks Ole M Lvvik Richard H Heyn Bjrn C Hauback |
| Affiliation: | aInstitute for Energy Technology, P.O. Box 40, NO-2027 Kjeller, Norway;bDepartment of Physics, University of Oslo, Blindern, NO-0316 Oslo, Norway;cSINTEF Materials and Chemistry, P.O. Box 124, Blindern, NO-0314 Oslo, Norway |
| Abstract: | 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. |
| Keywords: | Metal hydrides Mixed alanates Crystal structure Synchrotron X-ray powder diffraction Neutron powder diffraction |
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