Abstract
The accurate structure of LiAlD4 was determined from combined Rietveld-type profile refinements of powder X-ray and neutron diffraction data at 295 K. In addition, neutron diffraction was used for structure analyses at 8 K. The space group is P21/c with a=482.54(1), b=780.40(1), c=789.68(1) pm and β=112.268(1)° at 295 K. The slight distortion of the AlD4 tetrahedra increases at low temperatures. The Al–D distances are in the range 160.3(7)–163.3(5) pm at 295 K and 159.6(6)–164.5(5) pm at 8 K. The lithium atoms are surrounded by a trigonal bipyramid of five deuterium atoms from five neighbouring [AlD4] tetrahedra.
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