Crystal structure of AlFe0.95

Yibo Liu; Huizi Liu; Changzeng Fan; Wen Bin; Lifeng Zhang

doi:10.1107/S2414314623010659

Crystal structure of AlFe_0.95

IUCrdata. 2023 Dec 14;8(Pt 12):x231065. doi: 10.1107/S2414314623010659. eCollection 2023 Dec.

Authors

Yibo Liu¹, Huizi Liu¹, Changzeng Fan^{1

2}, Wen Bin¹, Lifeng Zhang³

Affiliations

¹ State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, People's Republic of China.
² Hebei Key Lab for Optimizing Metal Product Technology and Performance, Yanshan University, Qinhuangdao 066004, People's Republic of China.
³ School of Mechanical and Materials Engineering, North China University of Technology, Beijing, People's Republic of China.

Abstract

Three B2-type inter-metallic AlFe_{1 - δ} phases (0.18 < δ < 0.05) in the Al-Fe binary system were synthesized by smelting and high temperature sinter-ing methods. The exact crystal structure for δ = 0.05 was refined by single-crystal X-ray diffraction. The amount of vacancy defects at the Fe atom sites was obtained by refining the corresponding site occupancy factor, converging to the chemical formula AlFe_0.95, with a structure identical to that of ideal AlFe models inferred from powder X-ray or neutron diffraction patterns.

Keywords: Al–Fe system; B2 phase; crystal structure; vacancy.

Grants and funding

Funding for this research was provided by: The National Natural Science Foundation of China (grant Nos. 52173231 and 51925105); Hebei Natural Science Foundation (grant No. E2022203182); The Innovation Ability Promotion Project of Hebei supported by Hebei Key Lab for Optimizing Metal Product Technology and Performance (grant No. 22567609H).