Crystal structure of AlFe0.95

IUCrData Pub Date : 2023-12-14 DOI:10.1107/s2414314623010659
Yibo Liu, Huizi Liu, Changzeng Fan, Wen Bin, Lifeng Zhang
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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.
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AlFe0.95 的晶体结构
通过冶炼和高温烧结方法合成了铝铁二元体系中的三种 B2- 型金属间化合物 AlFe1 - δ 相(0.18 < δ < 0.05)。通过单晶 X 射线衍射,精确地完善了 δ = 0.05 时的晶体结构。通过细化相应的位点占位系数,得到了铁原子位点的空位缺陷量,从而得到了化学式 AlFe0.95,其结构与根据粉末 X 射线或中子衍射图样推断出的理想 AlFe 模型的结构相同。
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