Abstract Hydride phases have been synthesized based on ZrMoV and ZrMo1.5V0.5 pseudobinary intermetallic compounds with a cubic structure of С15 Laves phases (sp. gr. Fd\(\bar {3}\)m (no. 227), Z = 8). The ZrMoVН3.3 and ZrMo1.5V0.5Н3.5 hydride phases are formed during hydrogen absorption. The structures of synthesized hydrides have been investigated by X-ray diffraction (XRD) and neutron diffraction

Abstract— The Mössbauer spectra of PbFe0.5Ta0.5O3 samples prepared by mechanical activation of a mixture of PbO, Fe2O3, and Ta2O5 with subsequent annealing at different temperatures Ta have been investigated. The Mössbauer study showed that Fe3+ ions in these samples can be either in the octahedral coordination or in the state with a coordination number equal to 5, which indicates the presence of oxygen

Abstract Nanoscale coatings formed by thermal vacuum deposition of metal on an aluminum substrate have been investigated by Mössbauer spectroscopy, X-ray diffraction (XRD) analysis, and electron microscopy. The film coatings have been grown by depositing enriched 57Fe in a magnetron vacuum chamber at a residual atmospheric pressure. It is shown that carbon penetration occurs over grain boundaries and

Abstract Mössbauer and magnetic study of calcium-doped lanthanum manganites La1 – xCaxMn0.98Fe0.02O3 + δ (x = 0.05, 0.10, 0.20) of nonstoichiometric (LCM–NS) and stoichiometric (LCM–S) compositions have been carried out in a wide temperature range. Phase structural separation is observed in the samples of stoichiometric composition (δ = 0). With a decrease in temperature all investigated lanthanum

Abstract The grain boundaries in Ni–34%Cu alloy have been analyzed by emission Mössbauer spectroscopy. The mechanism of grain-boundary Co diffusion in the alloy and the grain-boundary segregation factor of this element are determined. The grain-boundary segregation of interstitial impurities is observed at low annealing temperatures.

Abstract The studying the short-range order (SRO) in a three-component alloy on the basis of interpreting Mössbauer spectra is discussed. We suggested a description of a homogeneous SRO in a three-component alloy using the formalism of Flinn’s occupation numbers and the expansion of probabilities of cluster patterns in terms of correlation moments, quantitatively describing SRO. The method is further

Abstract The VST3331 titanium alloy in three structural states with different dispersities of the secondary α phase of titanium has been investigated by scanning electron microscopy and X-ray diffraction analysis. The possibility of using full-profile analysis of X-ray diffraction patterns for determining the size of titanium secondary α-phase crystallites has been estimated. It is demonstrated that

Abstract The catalytic Fe/γ-Al2O3 system in air, CO, and H2 atmospheres has been studied in the temperature range of 293–773 K. In the initial state, the system contains at least two Fe3+ paramagnetic forms with close values of isomeric shift and different quadrupole splittings. In this system, iron is reduced to the Fe2+ state in an atmosphere of СО and Н2 at 423–773 K. The latter state also exists

Abstract A cobalt coordination polymer with V-shaped ligands, {[L1Co(trans-CHDCA)] · 2H2O}n (L1 = bis(4-(1H-imidazol-1-yl)phenyl)methanone, trans-H2CHDCA = trans-1,2-cyclohexanedicarboxylic acid) has been synthesized under solvothermal conditions. It has been characterized by IR spectra, elemental analyses and single-crystal X-ray diffraction. The crystal is monoclinic, sp. gr. P21/c, Z = 4. In crystal

Abstract The bis[(2E)-3-phenylprop-2-enoate]-tris(п-tolyl)antimony n-Tol3Sb[OC(O)CH=CHPh]2 complex is obtained as a result of interaction of tri-n-tolylantimony, hydrogen peroxide, and cinnamic acid. Its atomic structure is determined by X-ray diffraction (XRD) analysis. The crystals under investigation belong to the monoclinic system and have the following lattice parameters: sp. gr. \(P{{2}_{1}}{\text{/}}n\)

Abstract The structure and thermal properties of mesomorphic phenyl benzoate CH3–C(O)–C6H4–OC(O)–C6H4–OC9H19 (I) were studied by differential scanning calorimetry (DSC) and X-ray diffraction. The crystal packing of I is typical of mesomorphic crystals. It consists of alternating loosely packed aliphatic and closely packed aromatic regions, the latter regions being stabilized by weak directional C–H···π

Abstract In this study, the molecular structure of (E)-2-bromo-6-[(4-bromo-2-methylphenylimino)methyl]-4-chlorophenol has been investigated using crystallographic (XRD), spectroscopic (UV-vis, NMR), and computational (DFT, HOMA) methods. The refinement parameters in XRD study supports the preference of phenol-imine form by the compound in solid state. The analysis of HOMA indices indicates that C1/C6

Abstract 75 mol % LiF + 25 mol % SmF3 eutectic composite is obtained by fusing components in a CF4 atmosphere. The composite is multiphase and consists of β-SmF3 (sp. gr. Pnma, a = 6.6703(2) Å, b = 7.0557(2) Å, c = 4.4005(2) Å), LiF (sp. gr. \(Fm\bar {3}m\), a = 4.0234(3) Å), and a small amount (up to 4.5% of the total trifluoride content) of α-SmF3 (sp. gr. \(P\bar {3}c1\), a = 6.946(1) Å, c = 7.136(1)

Abstract The morphology and structure of heteroepitaxial ZnO films deposited on the (0001) surface of crystalline substrates of lanthanum–magnesium hexaaluminate LaMgAl11O19 by magnetron sputtering have been investigated by electron microscopy, probe microscopy, X-ray diffraction (XRD) analysis, and electron diffraction analysis. It is established that the structure of these ZnO films is more perfect

Abstract The phase composition and structural state of a red pigment (ceramics) related to the late Stone Age, found in the archaeological excavation Kfar HaHoresh (Izrael), have been investigated using X-ray diffraction (XRD) analysis and Mössbauer spectroscopy. A clay sample from this excavation was also analyzed to understand the nature of the structural and phase transformations leading to the

Abstract Promising methods for controlling the spectral and temporal properties of gamma photons, which are important for developing quantum informatics and improving the accuracy of Mössbauer spectroscopy measurements, are discussed. The specific experimental implementations of gamma photon control achieved to date are discussed, as well as ways for the further development of this direction. The results

Abstract Mössbauer absorption spectroscopy and X-ray diffraction analysis were used to study Fe3 – δO4 nanoparticles formed in the presence of natural polyelectrolytes of two types: derivatives of humic materials and low polymer chitosan. By an example of samples synthesized using either the Massart method or by in situ oxidation of metal it was shown that polyelectrolytes differing in charge and hydrophility

Abstract The structure and properties of the quasi-liquid water layer in the “frozen water–clay mineral” system have been studied using a probe technique developed on the basis of the 57Fe Mössbauer isotope in two forms (Fe2+ and Fe3+). The elasticity parameters (shear modulus, Poisson’s ratio, and Grüneisen parameter) of the surface ice are estimated within the fractal geometry. The “Menger sponge"–"Cantor

Abstract A mechanism of the formation of a photodeflection response in a periodically polarized nonlinear crystal illuminated by a Bessel light beam (BLB) is considered. The thermal-field distribution is found, and the exact solution of the system of heat-conduction equations is obtained using the Fourier–Bessel and Laplace integral transforms for a three-layer system consisting of a nonlinear crystal

Abstract Crystals of new iodate Na3Fe[IO3]6 were prepared by the hydrothermal synthesis (the unit cell parameters a = 6.6886(2) Å, b = 6.7756(3) Å, c = 10.1396(6) Å, α = 74.590(4)°, β = 71.510(4)°, γ = 79.960(4)°; sp. gr. P\(\bar {1}\), R = 2.7%). The new compound belongs to the family containing the {M[IO3]6} structural unit (M = Ti, Ge, In, Pt, Fe3+). The latter is composed of a MO6 octahedron sharing

Abstract The polymorphic transformations in K0.945Ag0.055NO3 are studied by optical spectroscopy and X-ray diffraction. It is established that one structural transformation occurs in this crystal in the temperature range from room temperature to the melting point. The growth of new crystal modification growth is accompanied by the formation and growth of daughter modification nuclei inside the matrix

Abstract Poorly soluble protonated erbium bis(1-hydroxyethylidene)diphosphonate tetrahydrate (HEr(H2L)2 · 4H2O), formed as a result of the reaction of erbium carbonate (Er2(CO3)3 · 4H2O) with an excess of (1-hydroxyethylidene)diphosphonic acid (СН3(ОН)С[P(O)(OH)2]2, H4L), consists of two types of crystals (needle-like and lamellar ones). This compound slowly dissolves in an aqueous medium when adding

Abstract Molecular relaxation processes in crystalline sodium carbonate Na2CO3 have been investigated using Raman spectroscopy. It is established that the structural first-order phase transition in Na2CO3 is diffuse. The existence of a pretransition region is found.

Abstract Single crystals of SmFe2.8Sc0.2(BO3)4 ferroborates are grown in melt‒solutions based on bismuth trimolybdate. The magnetic properties of grown single crystals are studied. The presence of long-range magnetic order in these crystals is found.

Abstract A technique for determining the directions of dislocation lines using an atomic force microscope after selective etching of a single crystal is discussed. The technique has been tested on bismuth-type single crystals.

Abstract The thermodynamic distribution coefficient for Sr2+ impurity in LaF3 crystal at infinite dilution (c → 0) k0 = 1.60 ± 0.02 is determined based on the data on directional solidification of La1 − ySryF3 − y solid solutions (0.01 ≤ y ≤ 0.15, LaF3 tysonite structure type). The obtained k0 value is in good agreement with the estimated distribution coefficient k0 = 1.7, which was found previously

Abstract A concentration series of sodium–gadolinium molybdate single crystals have been grown by the Czochralski method from melts of stoichiometric and some nonstoichiometric compositions in atmospheres with different oxygen contents. The actual compositions, microhardness, and crack resistance of the grown crystals have been investigated. All crystals are characterized by a significant sodium deficit

Abstract A new representative of sterically hindered 3,6-di-tert-butyl-o-benzoquinones bearing an annulated tetrahydrooxazolo[3,2-d][1,4]oxazine moiety—6,9-di-tert-butyl-1,2,3a,4-tetrahydrobenzo[b]oxazolo[3,2-d][1,4]oxazine-7,8-dione—was synthesized. The structure of the novel compound was confirmed by IR, UV, and NMR spectroscopy and X-ray diffraction. According to the cyclic voltammetry, the first

Abstract The structure of the radical anion salt (RAS) of 7,7,8,8-tetracyanedimethane (TCNQ) with a cation based on 2-amin-5-chloro-pyridine (2-NH2-5-Cl–Py, Am), that is, (N–CH3-2-NH2-5-Cl–Py) (TCNQ) (CH3CN), (I) is presented. Unlike most TCNQ RASs, which contain flat TCNQ particle stacks, RAS I contains practically isolated (TCNQ)\(_{2}^{{2 - }}\) π-dimers with unusually short distances between the

Abstract— The K4Ag18Te11, Tl4Ag18Te11, and BaHg11 cubic structures have been crystallographically analyzed within the study of the “symmetry–stability of crystalline materials” problem. The high symmetry of these structures is initiated by the local symmetry of templates, which are cuboctahedra composed of twelve Ag polyhedra around a Te anion (for the former two compounds) and twelve Hg polyhedra

Abstract Pr3Ga5SiO14 crystals from the langasite family have been grown by the floating zone melting technique. Their X-ray diffraction analysis is performed at 16 different temperatures in range of 94–293 K. An experiment with ultrahigh resolution at 94 K has yielded the most exact structural model: sp. gr. P321, Z = 1, a = 8.07636(4) Å, c = 5.06586(2) Å, R1/wR2 = 1.192/1.185%, and Δρmin/Δρmax = –0

Abstract A method for determining the temperature dependences of the lattice parameters of ferroelastics with two successive \(\bar {3}m\)–2/m–2 phase transitions (if the lattice parameters at two arbitrary temperatures in each phase are known) is proposed, which is based on the condition of macrosymmetry conservation in the paraelastic phase of multidomain crystal. Two analytical solutions are obtained

Abstract Oligopeptidases B (OpdBs) are two-domain serine peptidases with trypsin-like substrate specificity belonging to the prolyl oligopeptidase family. These enzymes are involved in the pathogenesis of trypanosomiasis, leishmaniasis, other parasitic infections, and in some cases bacterial infections and are potential targets for the development of therapeutic anti-infective agents. Only two three-dimensional

Abstract The morphology and anatomy of diamond crystals with tetragonal depressions on their surface have been studied. Based on the study of the interrelation between tetragonal depressions and the internal structure of diamond crystals, it is concluded that tetragonal depressions are related to the relics of surfaces of polycentric regeneration growth along the 〈100〉 direction. For all investigated

Abstract A combinatorial and topological analysis has been performed and self-assembly of the crystal structures of intermetallic compounds formed in the Li–M (M = Ag, Au, Pt, Pd, Ir, Rh) systems has been simulated using computer methods (the TOPOS program package). The LikMn precursor metal clusters are determined based on the algorithms of graph expansion in cluster structures and construction of

Abstract The high-resolution three-dimensional structure of uridine phosphorylase from the pathogenic bacterium Vibrio cholerae in complex with the competitive inhibitor 2,2'-anhydrouridine was determined by X-ray diffraction (RCSBPDB ID: 6RCA). The three-dimensional structure of this complex is compared with the previously determined structures of V. cholerae uridine phosphorylase in complex with

Abstract Lanthanide contraction of lanthanum and 14 lanthanides (Ln), leading to a decrease in R3+ ionic radii by ~15% (with respect to the smallest one) with an increase in the element atomic number Z, is a way to implement a close packing of F1– ions in trifluorides of heavy 4f elements of the periodic table of elements. The efficiency of lanthanide (Ln) and actinide (An) contraction in the formation

Abstract The oxygen diffusion has been simulated by the molecular dynamics method in the solid solutions of PrBaCo2O5.5-based double perovskites: PrBa0.5Sr0.5Co2O5.5 with random substitution of half of Ba atoms by Sr atoms, PrBa0.5Sr0.5CoFeO5.5 with random substitution Ba → Sr and Co → Fe, PrBa0.5Sr0.5CoCuO5.5 with random substitution Ba → Sr and Co → Cu, and PrBa0.5Sr0.5CuFeO5.5 with random substitution

Abstract Small-angle X-ray scattering is an important structural tool for studying biological membranes; however, interpretation of scattering data remains a challenging problem. In most cases, analysis makes it possible to determine some structural parameters and the electron density profile of lipid bilayers, but no methods providing more detailed information (e.g., about the structural organization

Abstract To increase the measurement precision of electron diffraction patterns, a deep upgrade of EMR-102 diffractometer is performed, its operation parameters are studied, and a single-electron detection system with high temporal resolution (up to 60 MHz) and high spatial resolution (several tens of thousands of pixels per 1 Å–1) is elaborated. A special software is developed to control the experiment