Structure and properties of potassium titanyl phosphate single crystals with 7 and 11 at. % Nb

This study is a continuation of research into the atomic structure and physical properties of niobium-doped potassium titanyl phosphate crystals, KTiOPO₄ (KTP: Nb). Crystals containing 7 and 11 at. % of niobium were grown and studied. With an increase in niobium content, the number of vacancies and additional potassium positions in the structure also increase. This fact accounts for an increase in both the intensities of relaxation peaks and the conductivity of KTP: Nb crystals.     

Growth, structure, and properties of KTiOPO4 crystals doped with iron

A series of iron-doped KTiOPO₄ (KTP: Fe) single crystals in which iron substitutes for 0.1–0.3% titanium was grown. The structure of the KTP: Fe crystals was determined, and their dielectric and conducting properties were studied. An X-ray diffraction analysis failed to reveal such asmall amount of Fe⁺³ ions in titanium octahedral positions of the structure. It was found that an increase in the iron concentration results in a lowering of the symmetry of Ti(1)O₆ and Ti(2)O₆ octahedra. The splitting of the dielectric anomaly due to the ferroelectric phase transition was explained by the mechanism of incorporation of an impurity into different growth pyramids of the crystals. It was established that the aging of the KTP: Fe crystals leads to changes in the permittivity and electrical conductivity during long storage.     

Nanostructured Crystals of Fluorite Phases Sr1 – xRxF2 + x (R Are Rare-Earth Elements) and Their Ordering. 14: Concentration Dependence of the Defect Structure of Nonstoichiometric Phases Sr1 – xNdxF2 + x As Grown (x = 0.10, 0.25, 0.40, 0.50)

Crystallography Reports - The defect structure of as grown Sr1 – xNdxF2 + x (x = 0.10–0.50) crystals grown from a melt by...     

Ordering of tysonite structure in an as-grown Er0.715Ca0.285F2.715 crystal and in a component of annealed two-phase crystal of the Er0.67Ca0.33F2.67 composition

The structures of the as-grown tysonite phase (TP) Er_0.715Ca_0.285F_2.715 as grown and the tysonite component in a crystal of the Er0.67Ca0.33F2.67 composition annealed at 760°C have been determined by X-ray diffraction methods from the main reflections in the sp. gr. P6₃/mmc, Z = 2. Ca²⁺ cations in the Er_0.715Ca_0.285F_2.715 structure occupy the 2c site on the 6₃ axis, thus confirming the conclusion about the symmetrizing effect of alkaline earth cation, which was made previously for the Y_0.715Ca_0.285F_2.715 compound. Er³⁺ cations are disordered over 6h sites around this axis. The Er_0.67Ca_0.33F_2.67 composition contains Er_0.67+δCa_0.33?δF_2.67+δ TP and inclusions of distorted fluorite phase rhβ-Ca₈Er₅F₃₁. The tysonite and two fluorite lattices have no “correct” relationship. Ca²⁺ cations and a half of TP Er³⁺ cations are fixed in the 2c sites, while the other Er³⁺ cations are disordered over the 6h sites. Superstructural ordering occurs in Er_0.715Ca_0.285F_2.715 crystals; however, the process is not completed, as follows from the character of the diffraction pattern. Weak satellite reflections in the diffraction pattern of the Er_0.67Ca_0.33F_2.67 composition are indicative of the development of TP ordering processes but remain unfit for structural calculations.     

Synthesis and X-ray diffraction study of K2.92Nb2.58Ti1.42P2.5O17 single crystals

Single crystals of the composition K_2.92Nb_2.58Ti_1.42P_2.5O₁₇ possessing ionic conductivity σ = 10³ Ω cm^?1 at 300°C were grown by the method of spontaneous crystallization from flux in the quaternary K₂O-TiO₂-Nb₂O₅-P₂O₅ system. The X-ray diffraction study of the single crystals grown showed that they are monoclinic with the unit-cell parameters a = 13.800(1), b = 6.412(2), c = 16.893(3) Å, β = 83.33(1)°, Z = 16, sp. gr. P2/n and provided the determination of the structure of this new compound. The Nb and Ti atoms statistically (with different probabilities) occupy four crystallographically independent octahedra. The (Nb,Ti) and P-tetrahedra form the three-dimensional framework with the channels along the diagonal [101] direction occupied by potassium atoms.     

Crystal structure of KTi0.93Sn0.07OPO4

To reveal correlations between the atomic structure and properties of the KTi_1-x SnxOPO₄ solid solutions, single crystals of the KTi_0.93Sn_0.07OPO₄ composition were synthesized and their structure was determined. The crystals belong to the KTiOPO₄ family; orthorhombic, sp. gr. Pna2₁. The unit-cell parameters are a = 12.831, b = 6.410, and c = 10.584 Å. The partial substitution of Sn atoms for Ti atoms results in the formation of more symmetric coordination polyhedra in the structure framework and the change of the physical properties of the crystals.     

Crystal structure of K2.47Nb2.85Ti1.15P2.5O17

The structure of a crystal grown by crystallization from flux in the K₂O-TiO₂-Nb₂O₅-P₂O₅ system was studied by the methods X-ray diffraction analysis at room temperature. The crystals of the composition K_2.47Nb_2.85Ti_1.15P_2.5O₁₇ are monoclinic, a = 13.7864(7) Å, b = 6.4078(3) Å, c = 16.9384(7) Å, β = 83.15(1)°, sp. gr. P2/n. The structure was solved by the direct method using the SHELXS86 program package and refined by the JANA96 program. The crystal structure consists of a three-dimensional framework of sharing-vertices (Nb,Ti)O₆-octahedra and the PO₄-tetrahedra and two types of channels along the diagonal [101] direction, which are statistically occupied by potassium cations providing ionic transport in the compound.     

Growth of KTiOPO<Subscript>4</Subscript> crystals doped with zinc and studies of their physical properties and specific structural features

A series of potassium titanyl phosphate single crystals doped with zinc (KTP: Zn) is grown by spontaneous flux crystallization. Their properties and the way the additive is implanted in the crystal lattice are studied. The inclusion of zinc atoms in the KTP structure is evidenced by the data of chemical analysis and the results of studies of electrophysical properties (the growth of conductivity and increase of relaxation anomalies). Precision X-ray diffraction studies of KTP: Zn single crystals reveal changes in the channel of the structure which correlate with the physical properties of this crystal series. No substitution of zinc atoms for titanium, phosphorus, or potassium atoms is found in the structure. Zinc atoms can be located at structural defects, domain walls, and the crystal surface.     

2-Benzopyrylium salts. 43. Conversion of dimers of 2-benzopyrylium salts to benzofuran derivatives

In the acid-catalyzed interaction of dimers of 2-benzopyrylium salts with peracetic acid and hydrogen peroxide, the oxidation products that are formed are readily converted to benzofuran derivatives.For Communication 42, see [1].Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 2, pp. 169–172, February, 1992.     

Crystal structure of β-uranophane from the Transbaikal Region and its relation to the structure of the α modification

The crystal structure of β-uranophane was refined (R = 0.034, 4898 independent reflections), and its relation to the α modification was established. The modifications of uranophane differ primarily in the orientation of the silicon-oxygen tetrahedra with respect to the plane of the layer formed by Si-tetrahedra and U⁶⁺-bipyramids and also in the arrangement of calcium cations between the layers. In the structure of β-uranophane, calcium cations are bound to three oxygen atoms of uranyl groups of the adjacent U-O-polyhedra, whereas Ca atoms in the α-modification are bound only to two uranyl oxygen atoms.