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Re-evaluation of the crystal structure of lithium zirconium nitride, Li2ZrN2, by neutron powder diffraction

Published/Copyright: July 28, 2010

Abstract

Li2ZrN2 and Li2HfN2 were synthesized from Li3N and ZrN/HfN in welded niobium ampoules at about 1273 K. Neutron diffraction on Li2ZrN2 was carried out in order to get reliable positional parameters for nitrogen and lithium. Li2ZrN2 and Li2HfN2 crystallize with the trigonal structure proposed so far: space group P[unk]m1, Z = 1. Li2ZrN2: a = 3.285(1) Å, c = 5.461(2) Å (neutron); Li2HfN2: a = 3.246(2) Å, c = 5.427(3) Å (X-ray).

Published Online: 2010-7-28
Published in Print: 1995-7-1

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