Synthesis, crystal structure, and magnetic properties of the Li8FeSm22O38 single crystal

New single crystals of Li₈FeSm₂₂O₃₈ have been grown by spontaneous crystallization from a solution in melt. The structure of these crystals has been determined: it corresponds to the space group Im $\bar 3$ m. Investigations of the magnetic susceptibility in the ranges of temperatures 2?C24 K and fields up to 50 kOe have revealed a magnetic transition near 3 K. The temperature behavior of the magnetic susceptibility of the two-level system has been simulated. The results of the simulation agree with the experimental data. The resonance properties of Li₈FeSm₂₂O₃₈ have been studied in the temperature range 100?C300 K.     

Crystal structures of EuLnCuS<Subscript>3</Subscript> (Ln = Nd and Sm)

The compound sulfides EuLnCuS₃ (Ln = Nd and Sm) were obtained for the first time. Their crystal structures were determined from X-ray powder diffraction data. The crystals of both compounds are orthorhombic (space group Pnma). The compound EuNdCuS₃ is isostructural with BaLaCuS₃; the unit cell parameters are a = 11.0438(2) Å, b = 4.0660(1) Å, c = 11.4149(4) Å. The compound EuSmCuS₃ is isostructural with Eu₂CuS₃; the unit cell parameters are a = 10.4202(2) Å, b = 3.9701(1) Å, c = 12.8022(2) Å.     

Exploration of the Crystal Structure and Thermal and Spectroscopic Properties of Monoclinic Praseodymium Sulfate Pr2(SO4)3

Praseodymium sulfate was obtained by the precipitation method and the crystal structure was determined by Rietveld analysis. Pr₂(SO₄)₃ is crystallized in the monoclinic structure, space group C2/c, with cell parameters a = 21.6052 (4), b = 6.7237 (1) and c = 6.9777 (1) Å, β = 107.9148 (7)°, Z = 4, V = 964.48 (3) ų (T = 150 °C). The thermal expansion of Pr₂(SO₄)₃ is strongly anisotropic. As was obtained by XRD measurements, all cell parameters are increased on heating. However, due to a strong increase of the monoclinic angle β, there is a direction of negative thermal expansion. In the argon atmosphere, Pr₂(SO₄)₃ is stable in the temperature range of T = 30–870 °C. The kinetics of the thermal decomposition process of praseodymium sulfate octahydrate Pr₂(SO₄)₃·8H₂O was studied as well. The vibrational properties of Pr₂(SO₄)₃ were examined by Raman and Fourier-transform infrared absorption spectroscopy methods. The band gap structure of Pr₂(SO₄)₃ was evaluated by ab initio calculations, and it was found that the valence band top is dominated by the p electrons of oxygen ions, while the conduction band bottom is formed by the d electrons of Pr³⁺ ions. The exact position of ZPL is determined via PL and PLE spectra at 77 K to be at 481 nm, and that enabled a correct assignment of luminescent bands. The maximum luminescent band in Pr₂(SO₄)₃ belongs to the ³P₀ → ³F₂ transition at 640 nm.     

Structure of Barbituratobis(2,2'-Dipyridyl)copper(II) Heptahydrate

Russian Journal of Coordination Chemistry - The structure of the complex [Cu(Bipy)2(BA)] ? 7H2O (I), where Bipy is 2,2'-dipyridyl, and BA2– is the barbituric acid anion (H2BA), is...     

Investigation into phase diagrams of the fluorine-oxygen system: Ferroelastic-antiferroelectric (NH4)2WO2F4-(NH4)2MoO2F4

Thermal, physical, structural, optical, and dielectric investigations have been performed for oxyfluoride solid solutions (NH₄)₂W_{1 — x} Mo _x O₂F₄ (x = 0, 0.1, 0.2, 0.3, 0.4, 0.6, 0.8, 1). The character of the influence of the chemical and hydrostatic pressures on the stability of the parent (space group Cmcm) and distorted ferroelastic and antiferroelectric phases has been determined by analyzing the temperature-pressure, unit cell volume-composition, and temperature-composition phase diagrams. The specific features of the nature and mechanism of the phase transitions have been discussed using the available data on the structural, entropy, and dielectric parameters.     

Study of the structural and magnetic characteristics of epitaxial Fe3Si/Si(111) films

The results of the structural and magnetic studies of the epitaxial structure prepared during the simultaneous evaporation from two iron and silicon sources on an atomically pure Si(111)7 × 7 surface at a substrate temperature of 150°C have been presented. The epitaxial structure has been identified as a single-crystal Fe₃Si silicide film with the orientation Si[111]‖Fe₃Si[111] using methods of the X-ray structural analysis, transmission electron microscopy, and reflection high-energy electron diffraction. It has been established that the epitaxial Fe₃Si film at room temperature has magnetic uniaxial anisotropy (H _a = 26 Oe) and a relatively narrow uniform ferromagnetic resonance line (ΔH = 11.57 Oe) measured at a pump frequency of 2.274 GHz.     

Specific features of magnetic ordering in the SmFeGe2O7 compound

The results of the experimental investigation of the magnetic properties of the SmFeGe₂O₇ compound have been presented. It has been found that the temperature dependence of the susceptibility exhibits two features that coincide with the anomalies in the temperature dependence of the specific heat and indicate magnetic phase transitions in SmFeGe₂O₇. The external magnetic field induces a magnetic transition, the critical field of which depends on the temperature.     

Spectroscopic properties and structure of the ErFe3(BO3)4 single crystal

Single crystals of the ErFe₃(BO₃)₄ borate were synthesized and their structure was studied. Absorption spectra of the Er³⁺ ion in σ- and π-polarizations of f-f transitions ⁴ I _15/2 → ⁴ I _13/2, ⁴ I _11/2, ⁴ I _9/2, ⁴ F _9/2, ⁴ S _3/2, ² H _11/2, and ⁴ F _7/2 were measured. The refractive index and birefringence were measured as a function of the wavelength. The transition intensities were analyzed within the Judd-Ofelt theory, and the following parameters of the theory were obtained: Ω₂ = 7.056 × 10^?20 cm², Ω₄ = 1.886 × 10^?20 cm², and Ω₆ = 2.238 × 10^?20 cm². Using these parameters, the radiative transition probabilities, luminescence branching ratios, and radiative lifetimes of multiplets were calculated.     

Crystal structures of cesium and rubidium 2-thiobarbiturates

The crystal structures of cesium 2-thiobarbiturate C₄H₃CsN₂O₂S (I) and rubidium 2-thiobarbiturate C₄H₃N₂O₂RbS (II) (C₄H₄N₂O₂S is 2-thiobarbituric acid, H₂TBA) have been determined. Isostructural crystals are monoclinic; a = 7.9609(3) Å,b = 11.8474(3) Å, c = 7.7317(2) Å, β = 101.285(3)°, V = 715.13(4) ų, space group C2/m, Z = 4 for I and a = 7.6369(2) Å, b = 11.7690(3) Å, c = 7.5568(2) Å, β = 100.212(1)°, V = 668.44(3) ų, space group C2/m, Z = 4 for II. Each metal ion in complexes I and II is bonded to four oxygen atoms and two sulfur atoms at the vertices of a six-vertex polyhedron. N-H…O hydrogen bonds link HTBA-ions into chains. The structure is also stabilized by the “head-to-tail” π-π interaction of HTBA-ions.     

Structure transformations during phase transitions in the K3WO3F3 oxyfluoride

The structures of three phases of the K₃WO₃F₃ crystal have been determined from X-ray diffraction data obtained for a powder sample. The profile and structural parameters have been refined according to the technique implemented in the DDM program. The results obtained have been discussed using the group-theoretical analysis of the complete order parameter condensate, which takes into account the critical and noncritical atomic displacements and allows the interpretation of the experimental data. The sequence of structural transformations is found to be as follows: $ Fm\bar 3m\xrightarrow[{(\eta _1 ,0,0)}]{{11 - 10(\Gamma _4^ - )}}I4mm\xrightarrow[{(\eta _1 ,\eta _2 ,0)}]{{11 - 10(\Gamma _4^ - )}}Cm $ Fm\bar 3m\xrightarrow[{(\eta _1 ,0,0)}]{{11 - 10(\Gamma _4^ - )}}I4mm\xrightarrow[{(\eta _1 ,\eta _2 ,0)}]{{11 - 10(\Gamma _4^ - )}}Cm .