Type Solid Solution Research Articles

New Ceramic Material Y2‐xVxO3+x ‐ Mechanochemical Synthesis and Some Physicochemical Properties

AbstractPotential applications of known compounds from the V2O‐Y2O3 system, i. e. YVO4, Y8V2O17 and Y10V2O20, were the inspiration to undertake research, the main goal of which was to determine whether unknown phases of the solid solution type are formed in this system. Solid solutions are still sought‐after phases because their properties depend on their chemical composition. In this work it was experimentally demonstrated that a new substitute solid solution with the formula Y2‐xVxO3+x (0.00<×<0.60) is formed from mixtures of V2O5 with Y2O3 as a result of mechanochemical synthesis. Its properties were examined by using, i.a. XRD (X‐ray diffraction) and UV‐Vis‐DRS (ultraviolet‐visible light spectroscopy with diffusion reflectance) methods. It was found among other things, that it crystallizes in a regular system, exhibits a Y2O3 structure and is thermally stable up to at least 800 °C (for x=0.40). Moreover, the estimated value of the band gap width indicated that the solid solution Y2‐xVxO3+x belongs to the class of semiconductors. The study of dielectric properties of new phase was performed by means of broadband dielectric spectroscopy. The obtained measurement data showed the presence of relaxation type dielectric mechanisms. The thermally activation energies of the relaxation processes related to the electric conductivity were calculated.

A new strategy for preparing high strength and high precision diffusion bonding GH536 joints via pulsed current and subsequent heat treatment

GH536 as a typical solid solution strengthened Ni-based superalloy, has been widely used in the preparation of laminated cooling structure. Diffusion bonding, which is highly promising as a joining process in laminated cooling structure, generally requires high strength and high precision. However, the high strength joint fabricated by the conventional hot pressure diffusion bonding (HPDB) often leads to severe deformation of base materials. Here, we developed a new diffusion bonding strategy to overcome this issue in GH536 via pulsed current diffusion bonding (PCDB) and subsequent heat treatment. At low temperature and short time (900 °C/30 min), a joint with a high shear strength of 535 MPa and a low deformation rate of 0.42 % was obtained using the PCDB, and these were 1.60 times and 0.28 times that of the conventional HPDB joint, respectively. Meanwhile, the low bonding temperature and short bonding time hindered the formation and coarsening of carbides, allowing them to be eliminated in a short time heat treatment. The unbonded zones healing, carbide dissolution and recrystallization during heat treatment significantly improved the joint shear strength, and the joint shear strength after heat treatment reached 561 MPa.

Novel kosnarite-based M0.5Zr2(AsO4)x(PO4)3-x (M – Sr, Ba and Cd) ceramics for radwaste incorporation

Mineral-like single-phase NZP materials of variable composition M0.5Zr2(AsO4)x(PO4)3−x (M − Sr, Ba, Cd) are of interest as matrices for isolation of high-level Sr, Ba and Cd wastes generated during reprocessing of irradiated nuclear fuel. Such polycrystalline phases were synthesized by sol-gel method with subsequent heat treatment and investigated by X-ray diffraction, IR spectroscopy and electron-probe microanalysis. Rietveld structure refinement showed that the framework is formed by ZrO6 octahedra and mixed AsO4/PO4 tetrahedra connected by vertices; Sr, Ba or Cd cations are located in extra-framework positions. Arsenate-phosphates can be classified as medium thermal expansion materials due to their average coefficient of linear thermal expansion of 2.8∙10−6 °C−1. Chemical durability test indicates that the leaching rate of Sr2+ ions from the NZP structure type solid solution is of the order of 10−5 g cm−2d−1.

Polarization- and stress-related lattice dynamics in solid-solution perovskite ferroelectrics

Perovskite ferroelectrics play an essential role in modern science and technology. The excellent properties of perovskites are closely related to their lattice dynamics. Potassium tantalate niobate (KTa1-xNbxO3, abbreviated as KTN) is a typical solid-solution perovskite with superior properties. Although the optical and electrical performances of KTN crystals have been widely explored, information on their lattice dynamics is still scarce, which partially limits the research and performance optimization of KTN. As a solid-solution, spontaneous polarization of KTN exhibits strong tunability, and there is stress within KTN. Here, we performed first-principles calculations in conjunction with experiments to investigate the polarization- and stress-related lattice dynamics in KTN. We assigned the vibration modes of observed Raman peaks, and established the relationship between spontaneous polarization and vibration. Especially, the lattice dynamics evolution of KTN crystal under stress was investigated. And the results provide insights into the regulatory effect of stress on dielectric property from the perspective of lattice dynamics. Finally, the variation trends of phonons under stress, as well as the mechanism of stress effect in tetragonal perovskites were explained. The conclusions drawn for KTN crystal were generalized to tetragonal ferroelectric systems. Our results help to reflect spontaneous polarization and structural characteristics distribution through non-destructive Raman spectra, and give a reference for improving performance by regulating lattice dynamics. The findings will hopefully guide research on performance origin and refined design of perovskite functional materials.

Unveiling the role of ZrO2 doping in Sr2SmTi2Nb3O15 ceramics: From structural study to dielectric enhancement

Solid-state processing was used to synthesize tungsten bronze type (TTB) solid solutions, specifically Sr2Sm(Ti1-xZrx)2Nb3O15 with x values of 0, 0.2, 0.3, and 0.4. The study examined the crystalline structure, optical properties, morphology, and electrical and dielectric characteristics of these compounds. X-ray diffraction revealed a tetragonal structure (space group P4bm). Scanning electron microscopy showed significant sample densification with grain sizes decreasing from 6.19 μm to 2.78 μm. Dielectric measurements indicated that the dielectric constant varied from 150 for x = 0 to 567.24 for x = 0.2, then decreased to 380.88 for x = 0.4, with the x = 0.3 compound having the lowest dielectric loss. The Curie temperature (Tc) decreased from 332 °C to 248.5 °C with increasing Zr content, corresponding with a reduction in grain size. The energy gap (Eg) narrowed from 2.914 eV to 2.714 eV as Zr content increased. AC conductivity increased with temperature and frequency. Electrical conductivity followed Jonscher's power law, with activation energies decreasing from 1.54 eV to 0.87 eV, explained by the small polaron tunneling (NSPT) model.

Effects of quenching temperature on the structure, segregation, and properties of the AM4.5Kd + 0.2 wt.% La alloy after artificial aging

The identification of structural components in the AM4.5Kd + 0.2 wt.% La alloy, subjected to quenching at different temperatures (535–605 °C) and artificial aging at 155 °C for 4 h, was conducted through electron microscopy and XRD. An increase in the quenching temperature from 535 to 605 °C promotes the enlargement of structural components, including the α-solid solution, various aluminides, and eutectics. We observed that the base metal is not homogeneous in its chemical composition, consisting of two types of solid solutions: α1 and α2. The Cu and Mn solubility in the α2-solid solution is higher than in the α1-solid solution. As the quenching temperature increases to tq = 605 °C, the copper content in the α1-solid solution decreases. In contrast, the copper content in the α2-solid solution follows a curve with two maxima at 545 °С (4.5 at.%) and 585 °С (8.7 at.%). The Mn content in the α1-solid solution decreases sharply to the 545 °С quenching temperature and remains relatively constant up to tq = 605 °С (0.2 at.%). The Mn content in the α2-solid solution follows a curve with its maximum at tq = 545 °С (4.3 at.% Mn). Subsequent temperature rise results in a sharp drop in Mn content from 1.0 at.% at t = 565 °С to 0.3 at.% at 605 °С. Hence, the max solubility of Cu and Mn in the α2-solid solution occurs at 545 °C. At 585 °С, only an elevated Cu content (~8.7 at.%) was observed. Aluminides of alloying elements with different stoichiometries crystallize at different quenching temperatures, with complex AlxTiyLazCuvCdw and AlxCuyMnzCdv alloyed aluminides being most commonly found. ncreasing the quenching temperature to 535–545 °С results in higher hardness of the AM4.5Kd + 0.2 wt.% of La alloy, reaching 98–104 HB, with subsequent decrease to 60 HB as the quenching temperature reaches 605 °С. The hardness of the unhardened alloy is 60 HB. The optimal quenching temperature for the AM4.5Kd + 0.2 wt.% of La alloy is in the range of 535–545 °С. This temperature corresponds to the highest hardness of the alloy and the microhardness of the aluminide.

Porous High-Entropy Oxide Anode Materials for Li-Ion Batteries: Preparation, Characterization, and Applications.

High-entropy oxides (HEOs), as a new type of single-phase solid solution with a multi-component design, have shown great potential when they are used as anodes in lithium-ion batteries due to four kinds of effects (thermodynamic high-entropy effect, the structural lattice distortion effect, the kinetic slow diffusion effect, and the electrochemical "cocktail effect"), leading to excellent cycling stability. Although the number of articles on the study of HEO materials has increased significantly, the latest research progress in porous HEO materials in the lithium-ion battery field has not been systematically summarized. This review outlines the progress made in recent years in the design, synthesis, and characterization of porous HEOs and focuses on phase transitions during the cycling process, the role of individual elements, and the lithium storage mechanisms disclosed through some advanced characterization techniques. Finally, the future outlook of HEOs in the energy storage field is presented, providing some guidance for researchers to further improve the design of porous HEOs.

New sustainable yellow pigments in scheelite-type solid solutions: (LiLaCa)1/3MoO4−BiVO4 with high NIR reflectance as cool colorants

Abstract New toxic-metal-free sustainable yellow pigments have been developed in scheelite-type solid solutions: [(Li0.33Ca0.33La0.33)xBi1−x][MoxV1−x]O4. The developed pigments show a structural transition from monoclinic to tetragonal scheelite-type structures upon the substitution of LiCaLaMoO4 into the BiVO4 system. The absorption edge is gently blue-shifted from the parent BiVO4 by widening the bandgap upon the incorporation of various metal ions such as Li, La, Ca, and Mo into the lattice, allowing different intense yellow hues to be produced. The typical pigment [(LiLaCa)0.198Bi0.8][Mo0.2V0.8]O4 showed the most vivid yellow hue with a b* value of 78.32, which is comparable to the commercial Sicopal yellow (b* = 76.9). Further, the developed toxic-metal-free pigments have high near-infrared reflectance, making them sustainable as eco-friendly cool colorants for paint and plastic formulations.

High wear resistance and strength of Hastelloy X reinforced with TiC fabricated by laser powder bed fusion additive manufacturing

Hastelloy X (HX) alloy as a typical solid solution strengthened nickel-based superalloy, has been widely used in the preparation of hot end components. The microstructure evolution and properties of HX alloy and nano-TiC reinforced HX alloy (TiC/HX) formed by laser powder bed fusion (LPBF) were studied. The results show that adding 3 wt% nano-TiC particles can not only inhibit the formation of cracks, but also effectively improve the dry sliding friction, wear properties and room temperature tensile properties. Nano-TiC particles can significantly promote the competitive growth of dendrites, refine the grains, and reduce the residual thermal stress. In addition, it can significantly improve the shear modulus and tensile strength. Under the same forming parameters, the wear rate of the nano-TiC/HX composite material is 51 % lower than that of the pure HX alloy, only 174.49 μm3/(N·mm). At the same time, the tensile strength of the alloy increased from 708 MPa to 1131 MPa, the yield strength increased from 619 MPa to 842 MPa, and the elongation doubled to 16 %.

Effect of 'Ca' in dielectric, optical, and magnetic behavior of BaFe0.5Nb0.5O3 for possible device applications

In this present work, the Ca-doped BaFe0.5Nb0.5O3 perovskite is synthesized through the typical solid solution route and a thorough investigation of its structural, optical, dielectric, electrical, and magnetic properties is carried out. Basic structural analysis through X-ray diffraction technique reveals that the sample has a monoclinic crystal symmetry (a = 4.7487 Å, b = 2.8465 Å, c = 5.7641 Å, V = 36.36 (Å)3, β = 101.45ᵒ, and space group = C1m1). Scanning electron microscopy and transmission electron microscopy techniques confirm the polycrystalline nature of the sample. Energy-dispersive X-ray spectroscopy reveals the constituent elements in the sample. Ultraviolet photoelectron spectroscopy is used to determine the sample work function. X-ray photoelectron spectroscopy specifies the existence of dual valencies of Fe and Nb in the sample which in turn validates several physical mechanisms. The optical bandgap energy is estimated as 1.97 eV through UV-Visible spectroscopy. A significantly high dielectric constant value is noted at room temperature in the lower frequency domain. Impedance spectroscopy unveils the non-Debye type of relaxation and negative temperature coefficient of resistance nature of the sample. Conductivity analysis provides insight into the significance of involved charge transporters. The room temperature magnetic investigation reveals the ferromagnetic property of the sample. In inference, the synthesized perovskite material can be declared as a potential option for multipurpose implementations.

Enhanced electrostrains in PMN–xPZN solid solutions driven by a rather small electric field

AbstractPb(Mg1/3Nb2/3)O3 (PMN) relaxors have gained a lot of interest due to their unusual dielectric relaxation and high electrostrictive electrostrain. However, the Tm (temperature associated with maximum permittivity) of PMN is lower than room temperature, which limits their future development of electrostrain and practical applications. In this study, we increased the Tm by incorporating a relaxor ferroelectric (FE) end member Pb(Zn1/3Nb2/3)O3 (PZN) rather than a conventional high Curie temperature FE end member to create (1−x)PMN–xPZN solid solutions with x = 0.2–0.5. Their dielectric, FE, and electrostrain properties were systematically investigated. In x = 0.4 composition, we get a maximum electrostrain of 0.134% and an equivalent piezoelectric coefficient of 936 pm/V under a rather small driving field of 5 kV/cm. Furthermore, the electrostrain of the x = 0.5 is greater than 0.1% between 20 and 80°C, indicating its possible applicability in precision displacement actuators. Our findings not only clarify the electrostrain and electrostrictive properties of (1 − x)PMN–xPZN system but also show an innovative way to improve electrostrain properties by constructing relaxor–relaxor type solid solutions that can be applied to other FE systems.

Cation Disordered Anti‐Perovskite Cathode Materials with Enhanced Lithium Diffusion and Suppressed Phase Transition

AbstractRecently, a new family of anti‐perovskite Li2TMSO was discovered as promising cathode materials for Li‐ion batteries (LIBs) with superiorities in high specific capacity, low cost, and environmental friendliness. However, the applications of these anti‐perovskite materials meet severe challenges in the cyclability and rate performance. Herein, a cation‐disordered anti‐perovskite type solid solution Li2Fe1−xMnxSO (LFMSO, x = 0, 0.2, 0.5) with excellent electrochemical performance is reported. On the basis of comprehensive structural characterizations, the role of the cation disordering in LFMSO is clarified. In comparison with Li2FeSO (LFSO), the reduced Li‐ion diffusion barrier and the increased Li‐rich octahedral configurations in LFMSO with higher configurational entropy imply the facilitated long‐range Li‐ion diffusion and the suppressed phase transition, which favor the high‐rate capability and cycling stability. In addition, the large lattice distortion and Coulombic interaction between the anions and cations lead to the breathing of the unit cell during charge/discharge. The variation of the unit cell volume decreases to 2.5% upon Li‐ion delithiation. A superstructure is observed in LFMSO for the first time. These findings help to pave the way for the research and development of novel cathode materials for the next generation LIBs.

Refractive index measurement of hydrogen isotopologue mixture and applicability for homogeneity of hydrogen solid at cryogenic temperature in fusion fuel system

Deuterium (D)-Tritium (T) nuclear fusion reaction has potential as an energy source in the future. In both magnetic confinement and inertial confinement fusion reactors, solid D–T will generally be supplied as fusion fuel. The efficiency of the nuclear fusion reaction depends on the quality of solid D–T fuel, which is related to the composition, homogeneity, helium-3 (3He) content, and so on. However, there is no technique for in-situ examination of solid D–T fuel. In this study, we consider a simple and precise method for the characterization of solid hydrogen isotopologues at cryogenic temperature using refractive index measurement, and evaluate the distribution of hydrogen isotopologue composition and homogeneity. To evaluate without the effect of tritium decay, the homogeneity of the hydrogen (H2)-deuterium (D2) mixture is measured at first. By the in-situ refractive index measurement at cryogenic temperature, the homogeneity of solid H2–D2 mixture is roughly quantified. The phase diagram of the H2–D2 mixture shows a solid solution type. D2-rich crystal first appears from the liquid phase as a primary crystal. The composition of D2 in liquid phase ias homogeneous, whereas it reduces by obeying the liquidus line in the phase diagram with the crystallization. On the other hand, the composition of the H2–D2 mixture in solid phase is inhomogeneous because the mobility of H2 and D2 in solid phase was too slow to be homogeneous and solid. The compositions of H2–D2 mixture in liquid and solid phases could be evaluated by the in-situ refractive index measurement in time. Consequently, the refractive index measurement shows great potential as an inspection method of solid D–T fuel in fusion reactors.

Optimizing multi-interlayered additive manufacturing for high strength robust joints in Inconel 718 and Ti–6Al–4V alloys

The fabrication of a robust joint of Ti–6Al–4V and Inconel 718 is indispensable for numerous industries including aerospace, space, and biomedical industries, and to date not achieved without intermetallic compounds (IMCs) and microcracks. In this study, the additive manufacturing of a dissimilar functionally graded joint of Ti–6Al–4V and Inconel 718 alloy was achieved by employing V, Cr, and Ni multi-interlayers. Interlayer materials were carefully selected to mitigate the limitations of brittle IMC formation. Microstructure characterization, EBSD, and elemental analysis confirmed that all joints of Ti–6Al–4V/V, V/Cr, Cr/Ni, and Ni/Inconel 718 were crack and IMC-free, despite substantial elemental diffusion throughout the fabrication route. The as-built specimen exhibited a tensile strength of 210 MPa, which increased to 250 MPa after stress-relief heat treatment and is 40% higher than the reported tensile strength of 150 MPa for a laser welded Ti–6Al–4V/Inconel 718 specimen. The maximum hardness of the entire fabrication was 380 VHN, a typical solid-solution hardness value, indicating no detrimental brittle IMC formation. Furthermore, the finite elemental analysis predicted a moderate stress level of 90 MPa at the interface, indicating robust fabrication.

Topological Isomorphism of Liquid–Vapor, Fusibility, and Solubility Diagrams: Analogues of Gibbs–Konovalov and Gibbs–Roozeboom Laws for Solubility Diagrams

The comprehensive topological isomorphism of liquid–vapor, fusibility, and solubility diagrams in the proper sets of variables is proven with the aid of van der Waals equations of the shift in phase equilibrium. Analogues of Gibbs–Konovalov and Gibbs–Roozeboom laws are demonstrated in solubility diagrams of ternary and quaternary systems under crystallization of different types of solid solutions. For the demonstration, the quaternary reciprocal system K+,NH4+||Cl−,Br−−H2O and its ternary subsystems with modeling of the liquid phase within the framework of the classical Pitzer formalism are mainly used. An algorithm for calculating solubility equilibria in these systems is given.

Insight into the Ultrahigh Electric Performance of Aurivillius CBTa-CBN Solid Solution.

For bismuth layered structural ferroelectrics (BLSFs), CaBi2Ta2O9 (CBTa) demonstrates valuable application potential for a high Curie temperature (TC) of 923 °C and a good high-temperature resistivity, but low piezoelectric constant d33 values. Compared with CBTa-based ceramics, CaBi2Nb2O9 (CBN) with a high TC of 940 °C is easy to modify and realize excellent enhancement of piezoelectric properties. Here, by introducing a CBN-based component into CBTa, a new type of solid-solution ceramic with the formula Ca0.94(LiCe)0.03Bi2Ta2O9-xCa0.94(LiCe)0.03Bi2Nb2O9 (LC-CBTa-xCBN) is fabricated to obtain the advantages of both of them. Moreover, optimal electrical performances are obtained in the LC-CBTa-0.4CBN ceramic (d33 ∼ 14.1 pC/N, ρ ∼ 1.08 × 106 at 600 °C, TC ∼ 940 °C). The correlated characterizations, including structure and electricity, provide further realization of an enhanced performance mechanism. Therefore, this method of constructing a new type of solid solution provides a new strategy to modify BLSFs.

Enantioselectivity of chiral dihydromyricetin in multicomponent solid solutions regulated by subtle structural mutation.

Multicomponent crystals of a chiral drug with non-chiral components have attracted increasing attention in the application of enantiomer purification and regulation of the physicochemical properties of crystalline materials. Crystalline solid solutions provide opportunities for fine-tuning material properties because of continuously adjustable component stoichiometry ratios. The synthesis, crystal structure, thermodynamics and solid-state enantioselectivity of a series of multicomponent crystals of chiral dihydromyricetin (DMY) with caffeine (CAF) or theophylline (THE) were investigated and the results reveal how the subtle change of molecular structure of the coformer dictates the enantiomer selectivity in multicomponent cocrystals. A series of multicomponent cocrystal solvates of chiral DMY with CAF and THE were synthesized by the slurry cocrystallization method in acetonitrile. Although most racemic mixtures crystallize as racemic compounds or conglomerates, both DMY-CAF and DMY-THE crystallize as chiral solid solutions, unveiled by pseudo-binary melt phase diagrams and pseudo-ternary solution phase diagrams. Crystal structures of Rac-DMY-CAF, R,R-DMY-CAF, Rac-DMY-THE and R,R-DMY-THE are reported for the first time via single-crystal X-ray diffraction, displaying two distinct types of solid solution differing in mixing scale of enantiomers spanning several orders of magnitude. Surprisingly, this remarkable impact on enantiomer discrimination was simply achieved by the reduction of a methyl group of CAF to the THE coformer, which was further rationalized from their crystal structures and intermolecular interactions. Collectively, this work has demonstrated that a subtle change in the molecular structure of a coformer can regulate enantioselectivity in crystalline materials, guiding the purification of chiral racemic compounds via the cocrystallization method and the design of solid-solution crystalline materials.

Solid solutions based on In2O3 with additions of ZrO2 ― changes in their structural and electro physical properties

Solid solutions in the In2O3‒ZrO2 system are formed on the basis of a disordered phase of the C1 type of indium oxide. It was found that in the temperature range 1450‒1600 °C in air. limited solid solutions of the following type are formed in the system: subtraction-substitution, substitution, subtraction-substitution-introduction. The sizes of indium and zirconium cations, the number of defects determine the type of solid solution in a system based on In2O3 with additions of ZrO2. Experimentally, the formation of a mixture of two solid solutions of type C‒Ia3-based on oxides In2O3 and Zr2O3, after annealing the samples at 1600 °C, and were determined elementary cells of these solutions. The energies of formation of solid solutions of subtraction-substitution, substitution, subtractionsubstitution-introduction in the system based on In2O3 are calculated. It was found that the electrical resistance, concentration and mobility of charge carriers in samples based on In2O3 with additions of ZrO2 depends on the type of solid solution and does not depend on the valence of the soluble additive ZrO2. The types of conductivity of free charge carriers in solid solutions are determined and their energies are calculated. Ill. 4. Ref. 20.

Formation of zircon‐type (Zr,Ti)1−x(Dy)x(SiO4)1−x(PO4)x solid solution and their optical and magnetic characteristics

AbstractThe present study is aimed to tailor the structure of zircon (ZrSiO4) for potential application in hard tissue replacements. In this context, zircon (Zr,Ti)1−x(Dy)x(SiO4)1−x(PO4)x type solid solution has been formed through a simple sol–gel technique. Zircon formation is induced by the Ti4+ substitution, whereas the progressive addition of Dy3+/PO43− led to their accommodation at the resultant lattice sites. The maximum occupancy limit of Dy3+/PO43− is determined as 20 wt.% beyond, in which the ZrSiO4 structure is destabilized to enable the exclusion of Ti4+ and Zr4+ and subsequently yields ZrTiO4 trace alongside the crystallization of DyPO4. Dy3+ accommodation facilitated the improved absorption and emission (blue [483 nm] and yellow [576 nm]) phenomena and further the paramagnetic features are also induced in the resultant ZrSiO4.

Experimental investigation of the phase equilibria, phase stability, and defect structure in the Cr–Zr system by using DSC, XRD, and SEM

The solid-state phase transformations, phase stability, and defect structure in the Cr–Zr system were investigated experimentally by using differential scanning calorimetry (DSC), X-ray diffraction (XRD), and Scanning electron microscope (SEM) along with EDX. Arc melting was used to synthesize all of these alloys. The temperature of the Cr and Zr-rich eutectic L ↔ C36–Cr2Zr + Cr and L ↔ β-Zr + C15–Cr2Zr were determined to be 1861 ± 3 K and 1588 ± 3 K, respectively. The temperature corresponding to the eutectoid transformation β-Zr ↔ α-Zr + C15–Cr2Zr was found to be 1099 ± 2 K. The temperature pertaining to C36–Cr2Zr ↔Cr + C15–Cr2Zr transformation were determined to be 1844 ± 3 K. These values are notably different from previous measurements and are more accurate. The liquidus temperature in the composition range from 60 to 100 at.% Zr was measured for the first time. All the alloy specimens were characterized by X-ray diffraction. The lattice parameters and relative phase fraction of the constituent phases were evaluated by using Rietveld refinement of the XRD data. At ambient temperature, the refined lattice parameter of C15–Cr2Zr increases linearly with Zr concentration from 31 (7.199 Å) to 34 at.% Zr (7.210 Å). The oxygen impurities play an important role in the sluggish transformation of the C14/C36–Cr2Zr ↔ C15–Cr2Zr Laves phase. The density calculated based on lattice parameters determined by XRD and the theoretical model for anti-site type defects makes it is fair to conclude that C15–Cr2Zr Laves phase is a substitutional type solid solution. The experimental data presented here is consistent and reliable, and it supersedes previous findings.