Neutron diffraction study of the structural and magnetic properties of ε-Fe3N1.098 and ε-Fe2.322Co0.678N0.888

Li Lei, Leilei Zhang, Shangpan Gao, Qiwei Hu, Leiming Fang, Xiping Chen, Yuanhua Xia, Xianlong Wang, Hiroaki Ohfuji, Yohei Kojima, Simon A.T. Redfern, Zhi Zeng, Bo Chen, Duanwei He, Tetsuo Irifune

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)


Binary ε-Fe3N1.098 and ternary ε-Fe2.322Co0.678N0.888 were synthesized as spherical bulk materials using novel high-pressure solid-state metathesis reactions (HPSSM). The structural and magnetic properties of the two nitrides were investigated using neutron powder diffraction (NPD), a vibrating sample magnetometer (VSM), and first-principle calculations. We found that at high pressure and high temperature (HPHT), nitrogen atoms enter the interstitial 2d sites of the nitrogen-rich ε-Fe3N1.098 structure, space group P6322, which were previously reported to be vacant. The stoichiometry of the nitride (N/Me ratio) and the level of disorder have a significant influence on the site occupancies and local magnetic moments in these iron-based nitrides. The substitution of Fe by Co in ε-Fe2.322Co0.678N0.888 did not reduce the mean magnetic moment (μm) per metal atom at the Wyckoff 6 g site. NPD refinements showed that the magnetic moment per Fe atom in ε-Fe3N1.098 (at 1.8 (4) μB) was slightly higher than that of ε-Fe2.322Co0.678N0.888, where the moment per Fe/Co atom is 1.7(2) μB.

Original languageEnglish
Pages (from-to)99-105
Number of pages7
JournalJournal of Alloys and Compounds
Publication statusPublished - 2018 Jul 5
Externally publishedYes


  • Crystal structure
  • High-pressure
  • Magnetic property
  • Neutron diffraction
  • Nitride materials
  • Solid state reaction

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry


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