Neutron powder diffraction study on Li1.8Na0.2MgCl4

Abstract

Abstract The crystal structure of inverse spinel-type (space group Fd-3m, Z = 8), quaternary lithium chloride Li1.8Na0.2MgCl4 has been determined by neutron powder diffraction methods (a = 1044.16(7) pm, 114 reflections, R exp = 5.23%). The sodium ions are solely placed at the octahedral 16d site together with the Mg and a part of the Li+ ions. These results are in agreement with analogous studies on the manganese compound (Lutz et al., 1989) but being in contradiction with the results of 6Li and 7Li MAS NMR experiments (Nagel et al., 2002). The reason of this discrepancy is discussed.