Structure and Stability of the Stoichiometric Al3Fe Phase
Abstract
:1. Introduction
2. Materials and Methods
3. Results
C11 + C22 − 2C12 > 0; C11 + C33 − 2C13 > 0
C22 + C33 − 2C23 > 0; C11 + C22 + C33 + (C12 + C13 + C23) > 0
4. Discussion
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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Chemical Formula | Al6Fe2 |
---|---|
Crystal system, space group | Orthorhombic, Cmcm |
Temperature/K | 293(2) |
a, b, c/Å | 7.6474 (7), 6.4097 (6), 4.2114 (4) |
α, β, γ/° | 90, 90, 90 |
V/Å3, | 206.43 (3) |
Z | 2 |
Diffractometer | Bruker D8 Venture Photon 100 COMS |
Radiation type | Mo-Kα, λ = 0.71073 (Å) |
Scan mode | φ and ω scan |
Absorption correction | Multi-scan |
μ/mm−1 No. of measured, independent and observed [I > 2σ(I)] reflections | 8.09 2896, 186, 167 |
Rint (sin θ/λ)max (Å−1) | 0.039 0.713 |
R[F2 > 2σ(F2)], wR(F2), S No. of reflections No. of parameters Δρmax, Δρmin (e Å−3) | 0.031, 0.090, 1.26 186 17 0.70, −1.63 |
Label | Site | x | y | z | Occ. | Ueq,Uiso |
---|---|---|---|---|---|---|
Al1 | 8g | 0.6875(3) | 0.8524(3) | 3/4 | 1.000 | 0.0132(6) |
Al2 | 4c | 1/2 | 0.544(2) | 3/4 | 0.431(13) | 0.059(4) |
Al3 | 4a | 1/2 | 1/2 | 1/2 | 0.569(13) | 0.059(4) |
Fe4 | 4c | 1/2 | 0.17212(19) | 3/4 | 1.000 | 0.0071(5) |
Region | Spot1 | Spot2 | Spot3 | Area1 | Area2 | Area3 |
---|---|---|---|---|---|---|
x(Al)/% | 70.52(±5.97) | 76.52(±5.45) | 71.42(±5.94) | 67.56(±6.21) | 69.34(±6.07) | 68.91(±6.10) |
x(Fe)/% | 29.48(±2.25) | 23.48(±2.32) | 28.58(±2.35) | 32.44(±2.25) | 30.66(±2.26) | 31.09(±2.26) |
Al:Fe | 2.39 | 3.26 | 2.50 | 2.08 | 2.26 | 2.22 |
Phases | C11 | C22 | C33 | C44 | C55 | C66 | C12 | C13 | C23 | B | G | E | σ | B/G | Hv |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Al3Fe | 240 | 249 | 235 | 93 | 59 | 56 | 77 | 52 | 55 | 121 | 76 | 188 | 0.24 | 1.60 | 11.62 |
Al13Fe3 | 150 | 143 | 139 | 61 | 59 | 54 | 8 | 16 | 25 | 59 | 59 | 133 | 0.12 | 1.00 | 18.73 |
1 Al13Fe4 | − | − | − | − | − | − | − | − | − | 91 | 67 | 162 | 0.20 | 1.35 | 13.36 |
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Xia, Z.; Wen, B.; Fan, C. Structure and Stability of the Stoichiometric Al3Fe Phase. Metals 2019, 9, 1322. https://doi.org/10.3390/met9121322
Xia Z, Wen B, Fan C. Structure and Stability of the Stoichiometric Al3Fe Phase. Metals. 2019; 9(12):1322. https://doi.org/10.3390/met9121322
Chicago/Turabian StyleXia, Zheng, Bin Wen, and Changzeng Fan. 2019. "Structure and Stability of the Stoichiometric Al3Fe Phase" Metals 9, no. 12: 1322. https://doi.org/10.3390/met9121322