Structure and lattice dynamics of the high-pressure phase in the ScF3 crystal

The high-pressure phase of the ScF₃ crystal has been studied using synchrotron radiation diffraction and Raman scattering. This phase existing in the pressure range 0.6–3.2 GPa is optically anisotropic: its structure is described by space group R $ \bar 3 $ \bar 3 c, Z = 2, and the transition is associated with the rotation of ScF6 octahedra around the threefold axis. The pressure dependences of the lattice parameters and the rotation angle have been determined. The number of lines in the Raman spectrum corresponds to the expected number for this structure; the recovery of soft modes has been observed above the phase transition.     

Crystal structure of polymer hexaaqua-hexakis(2-thiobarbiturato)dieuropium(III)

Complex [Eu₂(HTBA)₆(H₂O)₆] _n (I), where H₂TBA is 2-thiobarbituric acid C₄H₄N₂O₂S, is synthesized. Its structure is determined by X-ray diffraction analysis (CIF file CCDC 987519). The crystals of complex I are monoclinic: a = 14.1033(4) Å, b = 10.0988(4) Å, c = 15.4061(5) Å, β = 110.003(1)°, V = 2061.9(1) ų, space group P2/n, Z = 2. All three independent ligands HTBA^? are coordinated to Eu³⁺ through oxygen atoms. Six HTBA^? ions (two terminal and four bridging) and two water molecules are coordinated to one of the independent Eu³⁺ ions. The second Eu³⁺ ion is bound to four bridging HTBA^? ions and four water molecules. The coordination polyhedra are square antiprisms. The bridging HTBA^? ions join the antiprisms into layers. The structure is stabilized by numerous hydrogen bonds and the π-π interaction between HTBA^?.     

Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium

The crystal structure of catena-bis(2-thiobarbiturato-O,S)diaquacadmium (C₈H₁₀CdN₄O₆S₂) _n (I), [Cd(H₂O)₂(HTBA)₂] _n (C₄H₄N₂O₂S is 2-thiobarbituric acid, H₂TBA) has been determined. The crystals of compound I are triclinic, a = 6.9433(3) Å, b = 7.2257(3) Å, c = 7.4047(3) Å, α = 88.559(2)°, β = 75.346(2)°, γ = 111.687(1)°, V = 331.05(3) ų, space group $P\bar 1$ , Z = 1. The Cd²⁺ ion is coordinated to the two oxygen atoms of water molecules and the two oxygen and two sulfur atoms of four HTBA^? ions at the vertices of an octahedron. Octahedra are linked by bridging μ₂-HTBA^?-O,S ions into infinite chains. Intermolecular hydrogen bonds form infinite chains. The structure is also stabilized by the π-π interaction of HTBA^? ions.     

Synthesis and structural,magnetic, and resonance properties of the LiCuFe<Subscript>2</Subscript>(VO<Subscript>4</Subscript>)<Subscript>3</Subscript> compound

Complex studies have been performed for the structural, static magnetic, and resonance properties of a new magnet LiCuFe₂(VO₄)₃ prepared by solid-phase synthesis. The temperature dependence of the susceptibility has an anomaly at temperature T_max = 9.6 K. At high temperatures, the LiCuFe₂(VO₄)₃ sample is in the paramagnetic state described by the Curie–Weiss law at T > 50 K and mainly determined by iron ions with effective magnetic moment μ_eff(exp) = 8.6μ_B per formula unit. At low temperatures, a long-range magnetic order is observed in the magnetic subsystem of the sample; the order is predominantly characterized by the antiferromagnetic exchange interaction and high frustration level. The exchange interaction parameters are estimated in a six-sublattice representation of the LiCuFe₂(VO₄)₃ magnet. It is shown that the LiCuFe₂(VO₄)₃ compound is an antiferromagnet with strong intrachain and frustrating interchain exchange interactions.     

Raman spectra and phase composition of MnGeO3 crystals

MnGeO₃ single‐crystal samples have been synthesized by optical zonal melting and spontaneous crystallization. X‐ray crystal analysis showed the first sample to be a two‐phase one with phase ratio as follows: 17% – monoclinic C2/c, and 83% – orthorhombic Pbca; the phase ratio of the second sample was unknown. Raman spectra have been produced for these samples. Lattice dynamics has been simulated and polarization dependencies of lines' intensities have been analyzed to interpret experimental Raman spectra and to attribute lines to the spectra of monoclinic and orthorhombic phases. Copyright © 2015 John Wiley & Sons, Ltd.     

Ferroelastic phase transitions in (NH4)2TaF7

The heat capacity, unit cell parameters, permittivity, optical properties, and thermal expansion of the (NH₄)₂TaF₇ compound with a seven-coordinated anion polyhedron have been measured. It has been found that the compound undergoes two successive phase transitions with the symmetry change: tetragonal → (T ₁ = 174 K) orthorhombic → (T ₂ = 156 K) tetragonal. The ferroelastic nature of structural transformations has been established, and their entropy and susceptibility to hydrostatic pressure have been determined.     

Phase formation upon crystallization of SrO · 2B<Subscript>2</Subscript>O<Subscript>3</Subscript> glasses

The crystallization of SrO · 2B₂O₃ glasses has been studied. Four different crystalline formations were found to form simultaneously and independently on the glass surface: stable α-SrB₄O₇ crystals and metastable crystalline forms (β-SrB₄O₇, Sr₄B₁₄O₂₅, and spherulites (presumably, mixtures of crystalline phases)). The ranges of thermal stability of the newly formed metastable phases have been established using thermal analysis.     

Magnetic properties of single crystals of the Cr<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Mn<Subscript>1 − <Emphasis Type="Italic">x</Emphasis></Subscript>S solid solutions (0 ≤ <Emphasis Type="Italic">x</Emphasis> < 0.3)

The Cr _x Mn_{1 − x} S single crystals have been synthesized based on manganese monosulfide as a result of cation substitution, and their magnetic properties have been studied. It has been established that the Cr _x Mn_{1 − x} S solid solutions with a face-centered cubic NaCl structure are formed in the concentration region 0 ≤ x < 0.3. The unit cell parameter of the solid solution decreases as the degree of substitution increases due to the variation in the ionic radius of cations. These substances are antiferromagnets. An increase in the degree of cation substitution in the Cr _x Mn_{1 − x} S solid solutions is accompanied by a decrease in the number of 3d electrons in the d shell of manganese monosulfide and causes a decrease in the magnetic transition temperature from 149 K (x = 0) to 96 K (x = 0.29), which differs from previously known results.     

Structural changes during phase transitions and the critical and noncritical order parameters in the (NH<Subscript>4</Subscript>)<Subscript>3</Subscript>Nb(O<Subscript>2</Subscript>)<Subscript>2</Subscript>F<Subscript>4</Subscript> crystal

The structures of two phases of the (NH₄)₃Nb(O₂)₂F₄ crystal, namely, the parent cubic phase and the most distorted low-temperature phase, have been determined from data of an X-ray diffraction experiment performed for a powder sample. The profile and structural parameters have been refined according to the procedure implemented in the DDM program. The results obtained have been discussed with invoking 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 obtained experimental data. It has been found that the most probable sequence of structural transformations occurring in the crystal can be schematically represented in the following form:

Analysis of the exchange magnetic structure in Pb<Subscript>3</Subscript>Mn<Subscript>7</Subscript>O<Subscript>15</Subscript>

The indirect-coupling model is used to analyze the exchange magnetic structure of Pb₃Mn₇O₁₅ in the hexagonal setting. The ratios of manganese ions Mn⁴⁺/Mn³⁺ in each nonequivalent position are determined. Pb₃(Mn_0.95Ge_0.05)₇O₁₅ and Pb₃(Mn_0.95Ga_0.05)₇O₁₅ single crystals are grown by the solution–melt method in order to test the validity of the proposed model. The structural and magnetic properties of the single crystals are studied. The magnetic properties of the grown single crystals are compared with those of nominally pure Pb₃Mn₇O₁₅.