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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Goryainov S. V., Vtyurin A. N., Krylova S. N., Sofronova S. N., Laptash N. M., Emelina T. B., Voronov V. N., Babushkin S. V.
Заглавие : Raman scattering study of temperature and hydrostatic pressure phase transitions in Rb2KTiOF5 crystal
Место публикации : J. Raman Spectrosc.: Wiley-Blackwell, 2012. - Vol. 43, Is. 4. - P.577-582. - ISSN 0377-0486, DOI 10.1002/jrs.3071
Примечания : Cited References: 24. - This work was partly supported by integration project SB RAS No 101, Russian Foundation for Basic Research project No 11-02-98002-r_siberia, No 09-02-00062, SS-4645.2010.2.
Предметные рубрики: LATTICE-DYNAMICS
OXYFLUORIDES
(NH4)(3)TIOF5
SPECTRA
ELPASOLITE
Ключевые слова (''Своб.индексиров.''): structural phase transition--rb2ktiof5--raman spectroscopy--hysteresis--hydrostatic pressure
Аннотация: Raman spectra of Rb2KTiOF5 crystal were obtained and analyzed in the temperature range from 77 to 297 K and under hydrostatic pressure up to 4.2 GPa (at T = 295 K). The experimental results were compared with quantum-chemical simulation of TiOF5 pseudo-octahedron. To interpret effects of lattice ordering, phonon spectra of several ordered phases of Rb2KTiOF5 were calculated within ab initio generalized Gordon–Kim model, and ordering of TiOF5 molecular groups were simulated within Monte Carlo approach. The spectra exhibited orientation disordering in the cubic phase under ambient conditions. Cooling below the phase transition temperature (215 K) leads to partial ordering of the structure. The isotropic perovskite-like phase was found to undergo first-order transition into a low-symmetry anisotropic phase at about 1 GPa. Further compression up to 4.1 GPa did not show any effects associated with phase transitions. Copyright © 2011 John Wiley & Sons, Ltd.
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Gavrilova T. A., Kesler V. G., Molokeev M. S., Aleksandrov K. S.
Заглавие : Low-temperature synthesis and structural properties of ferroelectric K 3WO3F3 elpasolite
Место публикации : Chem. Phys. Lett. - 2010. - Vol. 493, Is. 1-3. - P.83-86. - ISSN 0009-2614, DOI 10.1016/j.cplett.2010.05.023
Примечания : Cited References: 37
Предметные рубрики: PEROVSKITE-LIKE OXYFLUORIDES
CORE-LEVEL SPECTROSCOPY
PHASE-TRANSITIONS
SOLID-STATE
ELECTRON-DIFFRACTION
DIFFUSE-SCATTERING
RHEED ANALYSIS
POLAR
BEHAVIOR
(NH4)(3)TIOF5
Ключевые слова (''Своб.индексиров.''): chemical synthesis--elpasolite--ferroelectric phase transition--fluorine atoms--low temperature synthesis--low temperatures--oxyfluorides--partial ordering--room temperature--sem--space groups--structure parameter--xrd--chemical properties--ferroelectric materials--ferroelectricity--fluorine--oxygen--phase transitions--rietveld method--single crystals--synthesis (chemical)--x ray photoelectron spectroscopy--x ray powder diffraction--scanning electron microscopy
Аннотация: Low-temperature ferroelectric G2 polymorph of K3WO 3F3 has been prepared by chemical synthesis. Structural and chemical properties of the final product have been evaluated with X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Structure parameters of G2-K 3WO3F3 are refined by the Rietveld method from XRD data measured at room temperature (space group Cm, Z = 2, a = 8.7350(3), b = 8.6808(5), c = 6.1581(3), ? = 135.124(3), V = 329.46(3) 3; RB = 2.47%). Partial ordering of oxygen and fluorine atoms has been found over anion positions. Mechanism of ferroelectric phase transition in A2BMO3F3 oxyfluorides is discussed. В© 2010 Elsevier B.V. All rights reserved.
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fokina V. D., Bovina A. F., Bogdanov E. V., Pogorel'tsev E. I., Laptash N. M., Gorev M. V., Flerov I. N.
Заглавие : Specific heat, cell parameters, phase T-p diagram, and permittivity of cryolite (NH4)(3)Nb(O-2)(2)F-4
Разночтения заглавия :авие SCOPUS: Specific heat, cell parameters, phase T-p diagram, and permittivity of cryolite (NH4)3Nb(O2)2F4
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 53, Is. 10. - P2147-2153. - ISSN 1063-7834, DOI 10.1134/S1063783411100131
Примечания : Cited References: 19. - This study was performed within the Interdisciplinary integration project of the Siberian Branch of the Russian Academy of Science no. 34 and supported by the grant of the President of the Russian Federation for Leading Scientific Schools of the Russian Federation (NSh-4645.2010.2).
Предметные рубрики: CRYSTAL-STRUCTURES
TRANSITIONS
(NH4)(3)TIOF5
OXYFLUORIDE
COMPLEXES
CAPACITY
DISORDER
Аннотация: The temperature dependences of the specific heat, unit cell parameters, susceptibility to hydrostatic pressure, and permittivity of cryolite (NH4)(3)Nb(O-2)(2)F-4 have been studied. Phase transitions of nonferroelectric nature have been detected. Entropy parameters point to the relation of structure distortions to ordering processes.
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pogorel'tsev E. I., Bogdanov E. V., Molokeev M. S., Voronov V. N., Isaenko L. I., Zhurkov S. A., Laptash N. M., Gorev M. V., Flerov I. N.
Заглавие : Thermodynamic Properties and Structure of Oxyfluorides Rb(2)KMoO(3)F(3) and K(2)NaMoO(3)F(3)
Разночтения заглавия :авие SCOPUS: Thermodynamic properties and structure of oxyfluorides Rb2KMoO3F3 and K2NaMoO3F3
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 53, Is. 6. - P1202-1211. - ISSN 1063-7834, DOI 10.1134/S1063783411060266
Примечания : Cited References: 24. - This study was supported by the Siberian Branch of the Russian Academy of Sciences within the framework of the Interdisciplinary Integration project no. 34 SO RAN and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (project no. NSh-4645-2010.2).
Предметные рубрики: T PHASE-DIAGRAM
HEAT-CAPACITY
TRANSITIONS
(NH4)(3)MOO3F3
(NH4)(3)TIOF5
(NH4)(3)WO3F3
RB2KTIOF5
CRYSTALS
CRYOLITE
DISORDER
Аннотация: According to the results of calorimetric and structural studies, the Fm (3) over barm phase in K(2)NaMoO(3)F(3) remains stable at least to 100 K. No ferroelectric transformation assumed earlier has been revealed in a series of Rb(2)KMoO(3)F(3) samples prepared using various technologies. Only a phase transition of nonferroelectric origin has been observed near 195 K, and its thermodynamic characteristics have been determined. An analysis of the stability of the cubic structure of molybdenum fluorine-oxygen elpasolites-cryolites has been performed in the framework of the hypothesis on strengths of interatomic bonds. The barocaloric effect in Rb(2)KMoO(3)F(3) has been estimated.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Fokina V. D., Gorev M. V., Bogdanov E. V., Molokeev M. S., Bovina A. F., Kocharova A. G.
Заглавие : Effect of deuteration on the thermal properties and structural parameters of the (NH4)(2)WO2F4 oxyfluoride
Разночтения заглавия :авие SCOPUS: Effect of deuteration on the thermal properties and structural parameters of the (NH4)2WO2F4 oxyfluoride
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2007. - Vol. 49, Is. 6. - P1149-1156. - ISSN 1063-7834, DOI 10.1134/S1063783407060212
Примечания : Cited References: 11
Предметные рубрики: PEROVSKITE-LIKE OXYFLUORIDES
PHASE-TRANSITIONS
(NH4)(3)WO3F3
(NH4)(3)TIOF5
Аннотация: The thermal properties and structure of (ND4)(2)WO2F4 crystals are investigated. It is established that deuteration does not lead to a change in the symmetry of the initial phase Cmcm but considerably decreases the extent of its disordering, which, in turn, brings about a substantial decrease in the phase transition entropy. Apart from the anomalies associated with phase transitions characteristic of the protonic compound, the heat capacity exhibits two additional anomalies. Analysis of the phase diagram of the deuterated crystal reveals a triple point at a pressure p = 0.18 GPa, which is predicted for (NH4)(2)WO2F4 at about 0.7 GPa.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Fokina V. D., Molokeev M. S., Vasil'ev A. D., Bovina A. F., Laptash N. M.
Заглавие : Heat capacity, structural disorder, and the phase transition in cryolite (NH4)(3)Ti(O-2)F-5
Разночтения заглавия :авие SCOPUS: Heat capacity, structural disorder, and the phase transition in cryolite (NH4)3Ti(O2)F5
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2006. - Vol. 48, Is. 8. - P1559-1567. - ISSN 1063-7834, DOI 10.1134/S1063783406080221
Примечания : Cited References: 18
Предметные рубрики: PEROVSKITE-LIKE OXYFLUORIDES
CRYSTAL-STRUCTURES
(NH4)(3)TIOF5
(NH4)(3)WO3F3
DIFFRACTION
Аннотация: The heat capacity, T-p phase diagrams, and unit cell parameters of cryolite (NH4)(3)Ti(O-2)F-5 were studied over a wide temperature range. A phase transition was found near 226 K, and its thermodynamic characteristics and their dependence on the crystallization conditions were determined. The coordinates and thermal parameters of atoms in the Fm3m phase were refined. An analysis of the electron density distribution and the transition entropy showed that the mechanism of the structural transition involves, above all, rotation of the Ti(O-2)F-5 octahedra. Possible models of disordering of tetrahedral ammonium groups are considered.
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fokina V. D., Gorev M. V., Kocharova A. G., Flerov I. N., Pogoreltsev E.I.
Заглавие : Phase transitions and thermodynamic properties of (NH4)(3)VO2F4 cryolite
Место публикации : Solid State Sci. - 2009. - Vol. 11, Is. 4. - P.836-840. - ISSN 1293-2558, DOI 10.1016/j.solidstatesciences.2008.11.004
Примечания : Cited Reference Count: 17. - Гранты: The authors are grateful to Dr. SM. Mel'nikova for the permission to use the unpublished results.; This work was supported by the Russian Foundation for Basic Research (project 06-02-16102).Финансирующая организация: Russian Foundation for Basic Research [06-02-16102]
Предметные рубрики: PEROVSKITE-LIKE OXYFLUORIDES
(NH4)(3)TIOF5
CS
(NH4)(3)WO3F3
DIFFRACTION
(NH4)3VO2F4
ELPASOLITE
METALS
RB
Ключевые слова (''Своб.индексиров.''): oxyfluorides--phase transition--calorimetry--phase diagram--ferroelectricity--calorimetry--ferroelectricity--oxyfluorides--phase diagram--phase transition--calorimetry--ferroelectricity--halide minerals--phase diagrams--sugar (sucrose)--thermodynamic properties--calorimetric measurements--cubic phase--first-order phase transitions--heat capacities--oxyfluorides--phase transition temperatures--pressure dependences--structural transformations--temperature ranges--phase transitions
Аннотация: Calorimetric measurements performed in a wide temperature range on (NH4)(3)VO2F4 have shown the presence of four heat capacity anomalies at T-1 = 438 K, T-2 = 244 K, T-3 = 210.2 K, T-4 = 205.1 K associated with the first order phase transitions. In accordance with the permittivity behavior, the structural transformations are of nonferroelectric nature. Pressure dependence of the phase transition temperatures has been studied by DTA under pressure. The entropy of phase transitions is analyzed mainly in the framework of the orientational disordering of NH4+ and VO2F43- ions in a cubic phase. (C) 2008 Elsevier Masson SAS. All rights reserved.
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