For the CuxCA samples, the maximum of the first derivative spectra is shifted to lower g values which is due to the overlapping of increasing contributions of signal O2 and a smaller one of O3, as the ceria loading decreases. Mössbauer spectroscopy is a spectroscopic technique based on the Mössbauer effect. Even there, however, the interpretation of the Mössbauer spectra may be ambiguous, because, on the one hand particles may be so small that they are still superparamagnetic, whilst on the other the iron in the clays may order magnetically at very low temperatures or show magnetic hyperfine patterns because of slow paramagnetic relaxation (cf. At 4.2 K the hyperfine field is 50.6 T, which renders goethite distinguishable from hematite, for which one has Bhf > 52 T. When goethite is not well crystallised or impure, it shows a broadened magnetic sextet pattern at room temperature. Typically, there are three types of nuclear interactions that are observed: isomeric shift, quadrupole splitting, and hyperfine magnetic splitting. The atoms in the source emitting the gamma rays must be of the same isotope as the atoms in the sample absorbing them. As described above, Mössbauer spectroscopy has an extremely fine energy resolution and can detect even subtle changes in the nuclear environment of the relevant atoms. The chemical isomer shift and quadrupole splitting are generally evaluated with respect to a reference material. Scheme 1. pulse sequence for pulsed ELDOR. 7). The spectra were measured at the magnetic field for the respective peaks (a‐f) in fig. by Sylvia-Monique Thomas, University of Nevada Las Vegas Introduction Theory Instrumentation Applications Guest Lecturer Literature Related Links Acknowledgements What is Mössbauer spectroscopy? In such a case, the sample is doped with 57Co.[10]. The formation of carbides appears to improve catalytic activity, however it can also lead to the mechanical break-up and attrition of the catalyst particles, which can cause difficulties in the final separation of catalyst from reaction products. ... Hyperfine splitting is another form of the Zeeman effect ([3], ch. transition between excited state and ground state only occur if m₁ changes by 0 or 1. six possible transitions for a 3/2 to 1/2 transition. In some cases, a compound may have more than one possible position for the Mössbauer active atom. Therefore part of the hematite may be blocked and part may be superparamagnetic at a given temperature. 2016-03-01 00:00:00 The insoluble Prussian Blue (IPB) structure, Fe 4 3 + $^{\mathrm {3+}}_{~~~4}$ [Fe II(CN)6]3.14H2O, is shown to have ten distinctly different ferric sites, as … [4] Ideally the parent isotope will have a convenient half-life. This was the first spectrum of a 1 To whom any correspondence should be addressed. Thus, CuC shows mainly an axial signal, showing four-line, Application of pulsed ELDOR detected NMR measurements on the studies of photosystem II, radical in Photosystem (PS) II membranes. How can I calculate the Hyperfine splitting and quadrupole splitting from Mossbauer spectroscopy? Doppler-free two-photon absorption spectroscopy. The book presents the role of this technique in oxygen transport and storage material. When a nucleus in a solid emits or absorbs a gamma ray, some energy can still be lost as recoil energy, but in this case it always occurs in discrete packets called phonons (quantized vibrations of the crystal lattice). Figure 1. This is rigidly mounted For a given particle size and shape, the collapse of the magnetic splitting of the Mössbauer spectra occurs in a rather narrow temperature range. The quadrupole splitting when all the four excited substates are equally shifted (two substates are lifted and other two are lowered) is given by the shift of the outer two lines relative to the inner four lines (all inner four lines shift in opposite to the outer most two lines). ... Can anyone recommend a good fitting program for Mössbauer spectroscopy? The quadrupole doublet with a splitting of about 0.5 mm/s is then difficult to distinguish from that of superparamagnetic hematite or from structural Fe3+ in clays. specific heats, the Mössbauer effect, nuclear magnetic reso-nance (NMR), angular correlation of γ-rays interaction of polarised neutrons with polarised nuclei, etc. Mössbauer spectrometry provides unique measurements of electronic, magnetic, and structural properties within materials. Mössbauer Spectra The primary characteristics looked at in Mössbauer spectra are isomer shift (IS), quadrupole splitting (QS), and magnetic splitting (MS or hyperfine splitting). Absorption of two quanta from a single circularly polarized beam requires Δ m= ±2; it is impossible to excite the atoms. A nucleus with spin I splits into 2I + 1 sub-energy levels in the presence of a magnetic field. It is mainly based on THE MÖSSBAUER EFFECT, OR RECOILLESS NUCLEAR RESONANCE FLUORESCENCE ... - Isomer shift or chemical shift Quadrupole splitting and Magnetic splitting or Hyperfine splitting 11. The difference in chemical environments, however, causes the nuclear energy levels to shift in a few different ways, as described below. The methods mainly base on hyperfine interactions with the surrounding atoms and ions. If a nucleus at rest emits a gamma ray, the energy of the gamma ray is slightly less than the natural energy of the transition, but in order for a nucleus at rest to absorb a gamma ray, the gamma ray's energy must be slightly greater than the natural energy, because in both cases energy is lost to recoil. Below about 250 K, well-crystallised hematite undergoes the Morin transition, during which the iron spins flip into the direction parallel to the c axis and the compound becomes antiferromagnetic. Measurement of the 2S hyperfine interval in atomic hydrogen. Figure 2. 25. In these cases, the isomer shift is halfway between the two peaks and the quadrupole splitting value is the difference between the peaks. Another less well-known method is to determine the hyperfine splitting of the nuclear levels directly by the spin-flip scattering of neu-trons [2]. The nuclear d ecay schemes for th e Mössbauer isoto pe 151 Eu [9] . The Mössbauer spectra of hematite show a large magnetic hyperfine splitting, with a hyperfine field of about 52 T at 300 K. Since the magnetic moments in the weakly ferromagnetic state are aligned perpendicular to the crystallographic c-axis, and hence perpendicular to the axis of the tensor of the electric filed gradient, the observed quadrupole shift of about -0.20 mm/s represents the … Mössbauer spectroscopy is a spectroscopic technique based on the Mössbauer effect.This effect, discovered by Rudolf Mössbauer (sometimes written "Moessbauer", German: "Mößbauer") in 1958, consists of the nearly recoil-free emission and absorption of nuclear gamma rays in solids. In 57Fe Mössbauer spectroscopy, the relaxation rates at which the collapse of the hyperfine splitting occurs are about 109 s−1 [51–54]. Top: at pH 6.6, bottom: at pH 2.3. FIGURE 25. At 4.2 K, the hyperfine field of antiferromagnetic hematite is about 54 T. Impurities like Al or Si, bad crystallinity or small particle size, which often occur in natural hematites, tend to lower the Morin transition temperature as well as the hyperfine field [48]. [11][12], In another application, Mössbauer spectroscopy is used to characterize phase transformations in iron catalysts, e.g., those used for Fischer–Tropsch synthesis. Coronal projective FC‐PEDRI images of supine, anaesthetized rat in vivo, following gavage of 3 ml of 5 mM HMI into its stomach. A few representative materials studies are presented. 4. Mössbauer spectroscopy, based on the recoilless resonance emission and absorption of γ photons observed with certain atomic nuclei, is a powerful investigating tool in most disciplines of natural science ranging from physics to chemistry to biology. [16][17] An area of particular interest is the characterization of intermediates involved in oxygen activation by iron proteins.[18]. In “High Resolution Laser Spectroscopy” (K. Shimoda, ed. Nuclear technology The Mössbauer source consists of 57Co embedded in a copper lattice. For this type, two-photon absorption, the Doppler-free spectrum can be observed by using countercircularly polarized light as indicated in atomic S–S two-photon transitions. Figure 1 shows the CW (a) and primary ESE (b) field swept ESR spectrum of the dark‐stable Tyr Dox radical in Photosystem (PS) II membranes. During calcination all the Sb ions in an antimony-containing tin dioxide catalyst transform into the +5 oxidation state. It is notable that very wide frequency ranges of l0‐l000MHz can be covered by the pulsed ELDOR method. At 4.2 K all ferrihydrites exhibit a sextet Mössbauer pattern with broadened lines, nearly no quadrupole shift and mean hyperfine fields between 50 and 47 T, depending on the quality of the material. More specifically, the EFG at the nucleus will split the Fe57 nuclear excited I = 3/2 state into a pair of doublets: Iz = +/- 1/2 and +/- 3/2. Quadrupole splitting is measured as the separation between these two peaks and reflects the character of the electric field at the nucleus. On the other hand, for CuxCA or CuA, at least two different signals can be discerned: one presents g ‖ = 2.321 and g⊥= 2.057 and four-line hyperfine splittings with A ‖ = 17.1 × 10- 3 cm- 1 and A⊥= 1.9 × 10- 3 cm- 1, signal B; this signal is similar to that found earlier in other Cu/A12O3 samples and attributed to isolated Cu2 + ions in a square pyramidal environment [10]. 10 – 14 The paramagnetic splitting of dilute Eu 2+ (0.01%) has been determined at low temperature by EPR by Baker, Bleaney, and Hayes, 6 and the hyperfine interaction has been measured by electron nuclear double resonance (ENDOR) by Baker … Iron oxides and oxihydroxides and their Mössbauer spectra have been described in detail in several comprehensive papers [46,47]. The ESR spectrum has shown, The use of Mössbauer Spectroscopy in studies of archaeological ceramics, spins. In its most common form, Mössbauer absorption spectroscopy, a solid sample is exposed to a beam of gamma radiation, and a detector measures the intensity of the beam transmitted through the sample. Suitable gamma-ray sources consist of a radioactive parent that decays to the desired isotope. The peaks of about 350-380 MHz, 500-550 MHz and 700-750 MHz may correspond to the transition of ms= −3/2, +3/2 and −5/2, respectively. In this case conservation of momentum is satisfied by the momentum of the crystal as a whole, so practically no energy is lost.[1]. Thus, CuC shows mainly an axial signal, showing four-line hyperfine splittings in each of its features, with parameters g ‖ = 2.265, g⊥= 2.040, A ‖ = 16 x 10- 3 cm- 1 and A⊥= 1.3 × 10- 3 cm- 1, signal A, due to isolated Cu2 + ions [9] in a ceria environment; other smaller peaks at the magnetic field zone typical of the g ‖ component of these signals reveal the presence of smaller amounts of similar isolated Cu2 + ions, the differences between them being most likely due to small variations in the coordination environment of the corresponding ions. (d) Zeeman effect (magnetic hyperfine splitting): A nucleus can have a characteristic angular momentum, J, which is accompanied by a magnetic dipole moment. The radioactive cobalt is prepared on a foil, often of rhodium. Figure 4. pulsed ELDOR spectra of Mn2+ ions associated to PS II membranes. As the IBAME, the authority for Mössbauer spectroscopy, does not specify a particular value, anything between 10.60 mm/s to 10.67 mm/s can be used. Study of hyperfine interactions by Moessbauer spectroscopy in mixed crystals. Mineral Mössbauer spectroscopy: Correlations between chemical shift and quadrupole splitting parameters Roger G. Burns 1 Hyperfine Interactions volume 91 , pages 739 – 745 ( 1994 ) Cite this article 4. Well crystallised goethite orders antiferromagnetically at about 400 K [46,47]. 102, 213002. Figure 10. Magnetite (Fe3O4) and maghemite (γ-Fe2O3) are rare in soils, and so are the oxihydroxides akaganeite, lepidocrocite and ferroxyhite. Hyperfine interactions in the iron cores from various pharmaceutically important iron-dextran complexes and human ferritin: a comparative study by Mössbauer spectroscopy. The centroid of the six lines spectrum from metallic iron foil is −0.1 mm/s (for Co/Rh source). giving the 14.4 keV Mössbauer gamma ray. FC‐DNP spectra of 15 ml 2.5 mM HMI solutions. When the nucleus Isomer shift (δ) (also sometimes called chemical shift, especially in the older literature) is a relative measure describing a shift in the resonance energy of a nucleus (see Fig. In the Mössbauer spectra this leads to a slight increase of the hyperfine field, and, more conspicuously, to a change of the quadrupole shift from -0.20 mm/s to +0.41 mm/s, since now the hyperfine field is aligned in the direction of the axis of the EFG tensor. The series BaIn1–xFexO2.5+δ, x = 0.25, 0.50, and 0.75, has been prepared under air-fired and argon-fired conditions and studied using X-ray diffraction, d.c. and a.c. susceptibility, Mössbauer spectroscopy, neutron diffraction, X-ray near edge absorption spectroscopy (XANES), and X-ray pair distribution (PDF) methods. 2) due to the transition of electrons within its s orbitals. At velocities corresponding to the resonant energy levels of the sample, a fraction of the gamma rays are absorbed, resulting in a drop in the measured intensity and a corresponding dip in the spectrum. EPR spectra of the starting calcined samples show significant differences between the Cu-containing samples, Figure 2. Probes the properties of specific isotopic nuclei in different atomic environments by analyzing the resonant absorption of gamma rays. Eu 2 Mg 4 Si 3 shows complex magnetic hyperfine field splitting at T = 5.7 K with a superposition of three subspectra with magnetic hyperfine fields of 5.4 (Eu2), 20.4 (Eu1) and 22.4 (Eu3) T. The three Mössbauer parameters: isomer shift, quadrupole splitting, and hyperfine splitting can often be used to identify a particular compound by comparison to spectra for standards. Application of Mössbauer spectroscopy in magnetism Fig. In the case of using circularly polarized light, the transitions can take place only when the atoms absorb one quantum with angular momentum +1 from one laser beam and a quantum with angular momentum −1 from the oppositely propagating beam, as shown in the upper part of Fig. EPR spectra after oxygen adsorption at 77 K on the samples reduced at Tr= 573 K. Table 1. Anaesthetized adult Sprague‐Dawley rats (B0dy weight ∼230 g) were given a gavage (intubation into the stomach) of a neutral‐pH solution of HMI. The experimental traces record the observed resonance fluorescence intensity at 330 nm (4P–3 S transition), following the two-photon absorption. Mössbauer spectroscopy involves the 14.4 keV transition. - Typically, three types of nuclear interactions may be observed: isomer shift, also called chemical shift in the older literature; quadrupole splitting; and magnetic hyperfine splitting Mössbauer spectroscopy is a spectroscopic technique based on the Mössbauer effect. The other signal is significantly broader and presents extremes at g=2.24 and g=2.05, signal C; it must be ascribed to Cu2 + ions into an oxidized copper-containing dispersed phase (like copper oxide or aluminate), the higher linewidth being due to dipolar interactions between Cu2 + ions. To calculate outer line distance from six line iron spectrum: where c is the speed of light, Bint is the internal magnetic field of the metallic iron (33 T), μN is the nuclear magneton (3.1524512605×10−8 eV/T), Eγ is the excitation energy (14.412497(3) keV[20]), gn is the ground state nuclear splitting factor (0.090604/(I), where Isospin I = ​1⁄2) and gen is the excited state splitting factor of 57Fe (-0.15532/(I), where I = ​3⁄2). It is noteworthy that double integration of the spectra shows that the fraction of total copper detected as Cu2 + increases as CuC (25 %) < Cu10CA (53 %) ≈ Cu39CA < CuA (63 %), suggesting that copper-ceria interactions favour formation of diamagnetic species (reduced copper or antirerromagnetically coupled Cu2 + ions). Mössbauer spectroscopy takes advantage of this relationship by irradiating a solid sample with gamma rays over a narrow range of energies and comparing the energies absorbed by the sample to known values. However, p, d, and f electrons may influence the s electron density through a screening effect. 24. [13], Mössbauer spectroscopy has also been used to determine the relative concentration change in the oxidation state of antimony (Sb) during the selective oxidation of olefins. Five transitions of electron spin states denoted as ms = −1/2 to +1/2 are overlapping in the spectrum. The Mössbauer spectra of hematite show a large magnetic hyperfine splitting, with a hyperfine field of about 52 T at 300 K. Since the magnetic moments in the weakly ferromagnetic state are aligned perpendicular to the crystallographic c-axis, and hence perpendicular to the axis of the tensor of the electric filed gradient, the observed quadrupole shift of about -0.20 mm/s represents the corresponding projection of the quadrupole interaction on the direction of the hyperfine field. Stokes and anti-Stokes peaks in the spectrum correspond to low frequency vibrations, many below 600 cm−1 with some below 100 cm−1. See also Mössbauer effect. Figure 4. The primary characteristics looked at in Mössbauer spectra are isomer shift (IS), quadrupole splitting (QS), and magnetic splitting (MS or hyperfine splitting). Mössbauer spectrometry may be useful for a research problem. It shows that the presence of copper favours the formation of O2- species at the surface of the 2D-Ce patches but hinders the formation of these species at the edges of these bidimensional patches and at the 3D-Ce particles; some effect of copper in promoting ceria dispersion (but blocking edge sites at the 2D-Ce patches) should not be discarded to explain this latter point. The quadrupole splitting can be used for determining oxidation state, spin state, site symmetry and the arrangement of ligands. During Mössbauer absorption spectroscopy, the source is accelerated through a range of velocities using a linear motor to produce a Doppler effect and scan the gamma ray energy through a given range. 14,15 Very recently, Mössbauer spectroscopy has been used to identify an unusual 4Fe –4 S-centre in the Lytb-protein, also called IspH. “Multiphoton Spectroscopy of Molecules,” Academic Press, Orlando, Florida. In situ data collection of Mössbauer spectra has also been carried out on iron rich rocks on Mars. As an analytical tool Mössbauer spectroscopy has been especially useful in the field of geology for identifying the composition of iron-containing specimens including meteors and moon rocks. Both spectra clearly show signals at 23-24 MHz and 27-28 MHz, which are ascribed to ring protons and one of the β‐methylene protons, respectively. By continuing you agree to the use of cookies. For this reason it is highly recommended to provide the isomer shift values with respect to the source used, mentioning the details of source (centre of gravity of the folded spectrum), instead with respect to iron foil. Other values are sometimes used to reflect different qualities of iron foils. Mössbauer Spectroscopy: Elegance and Versatility in Chemical Diagnostics Philipp Gütlich1 and Yann Garcia2 ... tory, reported the magnetic hyperfine splitting of α-Fe2O3 (figure 1a). The 14.4 keV gamma ray in . TR = 1200 ms, TEPR = 400 ms, 20‐W EPR irradiation at 120.7 MHz. The small hematite particles in ceramics often exhibit the phenomenon called superparamagnetism [51–54]: Owing to thermal excitation, small ferro- or antiferromagnetic particles, which usually consist of only a single magnetic domain, may spontaneously change the direction in which the spins are aligned. S. The splitting of the F = 2 and F = 1 hyperfine levels of an S state is thus 2An S/ h in frequency units. Based on the reported results of high frequency ENDOR of Mn2+ ions [5], we assigned the peaks of about 120 MHz and 180 MHz to the transition of ms= −1/2 and +1/2, respectively. [From Bloembergen, N., and Levenson, M. D. (1976). Ferrihydrite is a poorly crystallised hydroxihydrate of iron that gives rise to only a few broad X-ray diffraction peaks [46,47,55]. This means that nuclear resonance (emission and absorption of the same gamma ray by identical nuclei) is unobservable with free nuclei, because the shift in energy is too great and the emission and absorption spectra have no significant overlap. Hyperfine fields at 57Fe in dilute iron-based alloys determined by Mössbauer spectroscopy R Idczak, R Konieczny and J Chojcan 1Institute of Experimental Physics, University of Wroclaw, pl. Graphically, quadrupole splitting is the … Hyperfine coupling Interaction between the nuclear spin I and the electron spin S is described by the hyperfine coupling tensor A and results in splitting into (2I + 1) lines. Small goethite particles may also exhibit superparamagnetism at room temperature. Site analysis and calculation of the quadrupole splitting of Prussian Blue Mössbauer spectra Site analysis and calculation of the quadrupole splitting of Prussian Blue Mössbauer spectra Greaves, T.; Cashion, J. Therefore, the pulsed ELDOR method must be suitable for the measurements in various biological systems, of which spindensity must be very low. Exercise 4a: What is the minimum recoil energy needed to produce a phonon (use the result from Exercise 3)? The characteristics of these species change as a function of the amount of ceria present in the catalyst, which reveals changes in the environments of the corresponding superoxide species [5]; Table 1 summarizes the characteristics of these signals. Typically, there are three types of nuclear interactions that are observed: isomeric shift, quadrupole splitting, and hyperfine magnetic splitting.[5][6]. In Fig. Full Record; Other Related Research; Authors: Malliaris, A; Petridis, D Publication Date: Wed Oct 15 00:00:00 EDT 1975 Question. FC‐PEDRI was also used to confirm the position of the HMI solution in the animal's stomach, as shown in Figure 10. In Mössbauer spectroscopy three types of hyperfine parameters are considered, the isomer shift, magnetic hyperfine splitting and quadrupole splitting. Mössbauer's spectroscopy • Analysis by Mössbauer spectra: - reflects resonant absorption and emission of gamma rays in solids. Two main contributions: (1) Fermi contact term (requires spin density at the nucleus; caused by … Here, the electric quadrupole interaction is due to the 14 N-nucleus, the hyperfine nuclear spin-spin splitting is from the magnetic coupling between nitrogen, 14 N (IN = 1), and hydrogen, 1 H (IH = ​ 1⁄2), and a hydrogen spin-rotation interaction due to the 1 H-nucleus. The magnetic field can be determined from the spacing between the peaks if the quantum "g-factors" of the nuclear states are known. Raman spectroscopy measures the optical vibrational modes at infinitely small momentum transfer whereas Mössbauer spectroscopy imparts negligible momentum transfer but can distinguish hyperfine interactions (quadrupole splitting, chemical shift, and magnetism) with neV energies. ], David J. Lurie, ... Igor Grigor'ev, in EPR in the 21st Century, 2002. pH is another important physiological parameter which can affect the EPR spectrum of certain types of stable free radicals, in particular the imidazoline and imidazolidine nitroxides [16]. Examples of prominent iron-containing biomolecules are iron-sulfur proteins, ferritin, and hemes including the cytochromes. A typical application is the characterization of the cobalt sites in amorphous Co-Mo catalysts used in hydrodesulfurization. All shifts in other iron compounds are computed relative to this −0.10 mm/s (at room temperature), i.e., in this case isomer shifts are relative to Co/Rh source. A distinction requires measurements at liquid helium temperature, where the superparamagnetism is expected to be blocked. For example, the crystal structure of magnetite (Fe3O4) supports two different sites for the iron atoms. This spectrum is the blue edge of the Q branch (Δ J=0) of the totally symmetric transition 141 0 induced by the vibration v14 in the 1B2 u electronic state. With the success of the initial experiments with sodium vapor, characteristics of alkali atom states (for example, see Fig. Often the technique is used to determine the oxidation state of iron. Figure 2. The relaxation rate depends on particle size and shape and increases exponentially with decreasing particle size. Rev. Mössbauer spectroscopy is a conventional technique to measure magnetic hyperfine fields. Applications of Mössbauer Spectroscopy, Volume II is a collection of essays that discusses the range of problems being studied using the Mössbauer spectroscopy investigatory technique. One then observes a magnetic hyperfine splitting at room temperature with a hyperfine field of about 38 T and a quadrupole shift of −0.26 mm/s. Important methods are nuclear magnetic resonance, Mössbauer spectroscopy, and perturbed angular correlation. Mössbauer spectroscopy requires the use of solids or crystals which have a probability to absorb the photon in a recoilless manner, many isotopes exhibit Mössbauer characteristics but the most commonly studied isotope is 57 Fe. Information about geometrical structures of electronically excited states and nonradiative processes such as intramolecular vibrational energy redistribution and electronic energy relaxation can be obtained from the line position and width only after removal of the Doppler broadening. We have recently conducted in vitro and in vivo FC‐DNP and FC‐PEDRI experiments using a variety of such agents, including 2,2,3,4,5,5‐hexamethylimidazolidine‐l‐yloxy (HMI). Nuclear spectroscopy. More details on axis assignment or signal attributions can be found elsewhere [5,11]. Only in the Doppler-free spectrum (lower part) are single rotational lines resolved. (1956), Rothery and Hessels (2000), Kolachevsky et al. Mössbauer found that a significant fraction of emission and absorption events will be recoil-free, which is quantified using the Lamb–Mössbauer factor. The fact that these species are detected in the ceria-free sample suggests they are due to Al2O3-based Cu2 + species. At low pH the free radical is completely protonated and the splitting is reduced to 3.15 mT. Elton Kaufmann, Editor (John Wiley, New York, 2011). 5. So Mössbauer spectra are described using three parameters: isomer shift (δ), which arises from the difference in s electron density between the source and the absorber, quadrupole splitting (Δ which is a shift in nuclear energy levels that is induced by an electric field gradient caused by nearby electrons, and hyperfine splitting (for magnetic materials only). 3 a Interaction between isomer shift and quadruple splitting in alloys with different structure types; b diagram concentration, isomer shift, quadruple splitting for zirconium rich alloys Zr1−xFex 4 The solubility of iron atoms in the α-Zr Estimation of the iron atoms solubility in α-Zr was carried out in papers [1, 4, 6, 18–
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