Crystal structure and nonlinear optical properties of the K2UO2(SO4)2 · 2H2O compound at 293 K

Single crystals of potassium uranyl sulfate are grown, and their atomic structure is determined using X-ray diffraction analysis. The compound crystallizes in the orthorhombic crystal system with space group Pna2₁ [a = 13.773(4) Å, b = 7.288(2) Å, c = 11.556(4) Å, R ₁ = 0.033, wR ₂ = 0.0892 for 2630 reflections with I > 2σ(I)]. The crystal structure of the K₂UO₂(SO₄)₂ · 2H₂O compound is built up of two-dimensional infinite, negatively charged layers of the composition [UO₂(SO₄)₂·H₂O] _2∞ ^δ? ], which are linked together through the K⁺ ions. The specific features of the atomic arrangement in the structure of this compound are analyzed, and the second harmonic generation of laser radiation is investigated.     

Three-dimensionality of space in the structure of the periodic table of chemical elements

The effect of the dimension of the 3D homogeneous and isotropic Euclidean space, and the electron spin on the self-organization of the electron systems of atoms of chemical elements is considered. It is shown that the finite dimension of space creates the possibility of periodicity in the structure of an electron cloud, while the value of the dimension determines the number of stable systems of electrons at different levels of the periodic table of chemical elements and some characteristics of the systems. The conditions for the stability of systems of electrons and the electron system of an atom as a whole are considered. On the basis of the results obtained, comparison with other hierarchical systems (nanostructures and biological structures) is performed.     

X-ray diffraction study of 1,5-bis(2-Formylphenoxy)pentane

1,5-Bis(2-Formylphenoxy)pentane was studied by X-ray diffraction. There are two crystallographically independent molecules with similar geometric parameters in the asymmetric unit of the crystal structure. The molecules occupy special positions on a rotation axis.     

Small-angle X-ray scattering study of the structure of powder fullerene C<Subscript>60</Subscript> and fullerene soot

Powder samples of fullerene C₆₀ and fullerene soot have been studied by the small-angle X-ray scattering method. The radii of gyration of scattering elements have been determined by constructing small-angle diffraction patterns in Guinier coordinates. The data obtained agree well with the results of wide-angle X-ray scattering study, the available data on the structure of the powder fullerene C₆₀ prepared by the Huffman-Krätschmer technique, and the structure of the C₆₀ molecules. Conglomerates of two C₆₀ molecules, along with crystallites ～20 nm in size that are distributed in an amorphous matrix, are present in fullerene powders. Fullerene soot contains C₆₀ crystallites 20–25 nm in size and graphite crystallites ～2–3 nm in size that are distributed in an amorphous matrix.     

Gamma-resonance study of nanopowders with different dispersion and quasicrystalline phases in the Al-Cu-Fe system

⁵⁷Fe Mössbauer spectroscopy has been used to monitor synthesis of quasicrystals in the Al-Cu-Fe system and study the influence of the size of quasicrystalline particles in powder samples of the Al_63.1Cu_25.6Fe_11.3 alloy on the properties of synthesized materials. Quasicrystalline samples of different dispersion with particle sizes from 0.3 to 15 μm have been studied in the temperature range 80–295 K. It is established that iron atoms in an Al_63.1Cu_25.6Fe_11.3 quasicrystals occupy four types of structural positions, which differ in the atomic composition of the nearest environment. The results of the analysis suggest the dependence of the hyperfine-interaction parameters on the degree of sample dispersion. The components corresponding to iron atoms in both the surface layer and bulk of microparticles are isolated in the Mössbauer spectra. No magnetic hyperfine splitting has been found in the Mössbauer spectra in the entire temperature range. This fact suggests that a localized magnetic moment is absent in iron atoms.     

Magnetic susceptibility of quasicrystalline Al<Subscript>65</Subscript>Cu<Subscript>22</Subscript>Fe<Subscript>13</Subscript> powders

Magnetic properties of quasicrystalline Al₆₅Cu₂₂Fe₁₃ powders synthesized by the solid-phase diffusion method via thermal treatment in vacuum or a hydrogen atmosphere have been studied. The powders synthesized in vacuum are found to contain a ferromagnetic fraction. The formation of iron oxide Fe₃O₄ is shown to be the most probable cause of the existence of this fraction. It is possible to avoid the formation of the ferromagnetic fraction in the powders synthesized or annealed in hydrogen. Removal of the ferromagnetic fraction from the powder by repeated magnetic separation made it possible to obtain a quasicrystalline fraction, for which the behavior of the magnetic susceptibility can be explained by the formation of nanoclusters. Such behavior is a general and integral property of quasicrystalline powders synthesized in both vacuum and hydrogen.     

EPR of trivalent iron centers in SrF<Subscript>2</Subscript>: Fe crystals

Paramagnetic centers of three types are found in SrF₂: Fe(0.2 at. %) crystals. Two types are observed in the untreated crystals, and the third type appears only in the crystals irradiated by x-rays. The EPR spectra of one type of centers in a nonirradiated crystal and of the centers that appear after irradiation are described by the orthorhombic Hamiltonians with an effective spin S _eff = 5/2. In both cases, the centers are observed at 4.2 and 77 K. The principal axes of the spin Hamiltonians for them are along the 〈001〉, 〈1 \(\overline 1 \) 0〉, and 〈110〉 axes. However, the fine-structure parameters of their EPR spectra differ significantly. An analysis of the superhyperfine structure (SHFS) of the EPR spectra shows that the radiation center forms through substitution of a Fe²⁺ ion for a Sr²⁺ cation. Under x-ray irradiation, the Fe²⁺ ion transforms into the Fe³⁺(⁶ A _1g ) state and is displaced to an off-center position along the C ₂ axis of its coordination cube. The absence of a SHFS in the EPR spectra of the orthorhombic centers in a nonirradiated crystal makes it impossible to determine their molecular structure unambiguously. The most probable model is proposed for this structure. The EPR spectra of centers of the third type were observed only at 4.2 K, and the structure of these centers was not studied.     

Optical band gap width in GaAs in megagauss magnetic fields

The band gap width in GaAs in magnetic fields of up to 10 MG is calculated using a five-band kp model. The selection rules for interband electron transitions in strong magnetic fields are found, and the dependences of the interband transition probabilities on a magnetic field are calculated. The electronic spectra calculated in the five-band model are compared with those calculated in the Kane model and in the tight-coupling approximation. The calculations are shown to agree with experimental data if the contribution from the density-of-states tails and excitonic effects to light absorption is taken into account.