Crystal structure of AlFe0.95

Abstract

Three B2-type intermetallic AlFe1 – δ phases (0.18 < δ < 0.05) in the Al–Fe binary system were synthesized by smelting and high temperature sintering 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 AlFe0.95, with a structure identical to that of ideal AlFe models inferred from powder X-ray or neutron diffraction patterns.