Ternary nitrides prepared in the Li3N-Mg3N2 system at 900-1000 K

H. Yamane, T. H. Okabe, O. Ishiyama, Y. Waseda, M. Shimada

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29 Citations (Scopus)


Three phases, (LixMg1-x)3N2-x (0<x<0.20), LiMgN and (LixMg1-x)2N(2-x)2/3(0.5< x<0.6), were prepared in Li3N - Mg3N2 system at 900 and 1000 K, and their crystal structures were investigated by applying the Rietveld method to the X-ray powder diffraction patterns. (Lix Mg1-x)3N2-x crystallizes in a cubic superlattice (a=9.9767(5) Å at x=0.17). Mg atoms in the Mg3N2 structure (space group Ia3) were found to be partially replaced by Li atoms and the resultant structure was distorted with a lower symmetry space group I213. The crystal structure of LiMgN (orthorhombic, a=7.1586(2), b=3.5069(8), c=5.01424(13) Å, space group Pnma) was determined ab initio from the X-ray powder diffraction data. It revealed a cation-ordered antifluorite-type structure. (LixMg1-x)2N(2-x)2/3 was prepared by rapid cooling from 1000 K to room temperature. It was also found to be stable at 900 and 1000 K and decomposed into LiMgN and Li3N on slow cooling in the furnace. Broad tails of the X-ray diffraction peaks suggest a modulated structure. A cation-disordered simple antifluorite type (space group Fm3̄m, a=4.99559(11) Å at x=0.57) was proposed as the fundamental structure of (LixMg1-x)2N(2-x)2/3.

Original languageEnglish
Pages (from-to)124-130
Number of pages7
JournalJournal of Alloys and Compounds
Issue number1-2
Publication statusPublished - 2001 Apr 26


  • Crystal structures
  • Rietveld analysis
  • Syntheses
  • Ternary nitrides
  • X-ray powder diffraction


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