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    A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization / S. V. Mel'nikova [et al.] // Dalton Trans. - 2016. - Vol. 45, Is. 12. - P. 5321-5327, DOI 10.1039/c5dt04907e. - Cited References:25. - The reported study was partially supported by RFBR, research project no. 15-02-02009 a . - ISSN 1477-9226. - ISSN 1477-9234
   Перевод заглавия: Необычная последовательность фазовых переходов в (NH4)3GeF7: Оптическое и структурное исследование

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
Crystal-structure
   Powder diffraction
   NH4F
   Fluorination
Аннотация: Single crystals of germanium double salt (NH4)3GeF7 = (NH4)2GeF6·NH4F = (NH4)3[GeF6]F were grown and studied by the methods of polarization optics and X-ray diffraction. The birefringence Δn = (no − ne), the rotation angle of the optical indicatrix ϕ(T) and unit cell parameters were measured in the temperature range 100–400 K. Three structural phase transitions were found at the temperatures: T1↓ = 279.2 K (T1↑ = 279.4 K), T2↑ = 270 K (T2↓ = 268.9 K), T3↓ = 218 K (T3↑ = 227 K). An unusual sequence of symmetry transformations with temperature change was established: P4/mbm (Z = 2) (G1) ↔ Pbam (Z = 4) (G2) ↔ P21/c (Z = 4) (G3) ↔ Pa (Z = 8) (G4). The crystal structures of different phases were determined. The experimental data were additionally interpreted by a group-theoretical analysis of the complete condensate of order parameters taking into account the critical and noncritical atomic displacements. Strengthening of the N–H⋯F hydrogen bonds can be a driving force of the observed phase transitions.

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Держатели документа:
SB RAS, Lab Crystal Phys, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
RAS, Inst Chem, Far Eastern Branch, Vladivostok 690022, Russia.
Siberian Fed Univ, Krasnoyarsk 660074, Russia.

Доп.точки доступа:
Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Molokeev, M. S.; Молокеев, Максим Сергеевич; Laptash, N. M.; Misyul, S. V.; Мисюль, Сергей Валентинович; RFBR [15-02-02009 a]
}
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Aleksandrov, K. S.
Successive phase-transitions in crystals of K2MGF4-type structure / K. S. Aleksandrov, B. V. Beznosikov, S. V. Misyul // Phys. Status Solidi A. - 1987. - Vol. 104, Is. 2. - P. 529-543, DOI 10.1002/pssa.2211040204. - Cited References: 66 . - ISSN 0031-8965

РУБ Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter

WOS
Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Misyul, S. V.; Мисюль, Сергей Валентинович; Александров, Кирилл Сергеевич
}
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Aleksandrov, K. S.
Successive phase-transitions in ferroelastic cs2rbdyf6 with elpasolite-type structure / K. S. Aleksandrov, S. V. Melnikova, S. V. Misyul // Phys. Status Solidi A. - 1987. - Vol. 104, Is. 2. - P. 545-548, DOI 10.1002/pssa.2211040205. - Cited References: 6 . - ISSN 0031-8965

РУБ Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter

WOS
Доп.точки доступа:
Melnikova, S. V.; Мельникова, Светлана Владимировна; Misyul, S. V.; Мисюль, Сергей Валентинович; Александров, Кирилл Сергеевич
}
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Aleksandrov, K. S.
Successive structural phase-transitions in layered crystals. 1. TlAlF4 type crystals / K. S. Aleksandrov, B. V. Beznosikov, S. V. Misyul // Ferroelectrics. - 1987. - Vol. 73, Is. 1. - P. 201-220, DOI 10.1080/00150198708227918. - Cited References: 50 . - ISSN 0015-0193

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter

Аннотация: Rotational distortions due to octahedral tilts and possible ways of successive phase transitions are considered in crystals of TIAIF4-type structure. Crystallographical and group-theoretical analysis of possible transitions from the initial space group D14h was performed. It is shown that in some crystals of the studied type there exist the examples of distortional polytypism, i.e., different types of octahedral tilts in the neighbour layers which have been equivalent in the initial phase.

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Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Misyul, S. V.; Мисюль, Сергей Валентинович; Александров, Кирилл Сергеевич
}
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Aleksandrov, K. S.
Symmetrical analysis of structural phase transitions in crystals with the Oh 5 space group / K. S. Aleksandrov, S. V. Misyul, E. E. Baturinets // Ferroelectrics. - 2007. - Vol. 354, Is. 1. - P. 60-68, DOI 10.1080/00150190701454529. - Cited References: 13 . - ISSN 0015-0193
Кл.слова (ненормированные):
Complete condensate of order parameters -- Elpasolites -- Group-theoretical methods -- Phase transitions -- Elpasolites -- Experimental data -- Group-theoretical methods -- Order parameter -- Permutation representation -- Space Groups -- Structural phase transition -- Ammonium compounds -- Crystals -- Halide minerals -- Phase transitions
Аннотация: Using the group-theoretical methods, the complete set of critical and noncritical order parameters arising at phase transitions in crystals with the Oh 5- Fm3m space group has been obtained and analyzed. The mechanical and permutation representations have been constructed, and their composition for all the right systems of points of the Oh 5 space group has been determined. Experimental data on structural phase transitions in ammonium cryolites and elpasolites have been considered.

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Держатели документа:
Siberian Federal University, 660041 Krasnoyarsk, Russian Federation
L. V. Kirensky Institute of Physics, 660036 Krasnoyarsk, Russian Federation
Scientific and Research Institute of Physics, Southern Federal University, 344090 Rostov-on-Don, Russian Federation

Доп.точки доступа:
Misyul, S. V.; Мисюль, Сергей Валентинович; Baturinets, E. E.; Александров, Кирилл Сергеевич
}
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Anharmonic thermal atomic vibrations in the cubic phase of Cs//2NaNdCl//6 single crystals. / I. P. Makarova [et al.] // Phys Status Solidi B. - 1984. - Vol. 121, Is. 2. - P. 481-486 . - ISSN 0370-1972
Кл.слова (ненормированные):
CRYSTALS -- X-RAYS - Diffraction -- ANHARMONIC THERMAL ATOMIC VIBRATIONS -- CUBIC PHASE -- PHASE TRANSITIONS -- CESIUM COMPOUNDS
Аннотация: Thermal atomic vibrations in the cubic phase of Cs//2NaNdCl//6 single crystal undergoing the structural phase transition (PT) at 138 K are investigated from the data of X-ray diffraction obtained at 278, 218, and 148 K. A significant anisotropy of thermal vibrations and their deviations from harmonic behavior are found for the Cl-atoms of the structure. These atoms displace from their equilibrium positions below PT due to the tilts of the octahedral groups.

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Держатели документа:
Acad of Sciences of the USSR, A. V., Shubnikov Inst of Crystallography,, Moscow, USSR, Acad of Sciences of the USSR, A. V. Shubnikov Inst of Crystallography, Moscow, USSR

Доп.точки доступа:
Makarova, I. P.; Misyul, S. V.; Мисюль, Сергей Валентинович; Muradyan, L. A.; Bovina, A. F.; Бовина, Ася Федоровна; Simonov, V. I.; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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    Crystal and magnetic structures, phase transitions in quasi-one-dimensional pyroxenes Na0.5Li0.5FeGe2O6 / T. V. Drokina [et al.] // J. Magn. Magn. Mater. - 2015. - Vol. 385. - P. 243-249, DOI 10.1016/j.jmmm.2015.03.016. - Cited References:25. - Neutron beam time at the cold neutron powder diffractometer DMC at the Swiss spallation neutron source SINQ Paul Scherrer Institut, Switzerland is gratefully acknowledged. MF acknowledges funding from the European Community's Seventh Framework Programme (FP7/2007-2013) under Grant Agreement no. 290605 (PSIFELLOW/COFUND). This work was also supported by Ministry of Education and Science of the Russian Federation of Siberian Federal University 2014 year (Assignment no. 3.2534.2014/K). . - ISSN 0304. - ISSN 1873-4766
   Перевод заглавия: Кристаллическая и магнитные структуры, фазовые переходы в квазиодномерном пироксене Na0.5Li0.5FeGe2O6

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
CLINOPYROXENE-TYPE LIFEGE2O6
NAFESI2O6
LIFESI2O6
Кл.слова (ненормированные):
Phase transition -- Magnetic structure -- Pyroxene -- Magnetic properties -- Calorimetric measurements
Аннотация: The possibility of cation substitution in pyroxenes allows the investigation the gradual change of structural and magnetic properties under doping in these compounds. Here, Na0.5Li0.5FeGe2O6 was prepared by the standard solid-phase reaction method and has been investigated using X-ray and neutron powder diffraction, and further characterized by magnetic and calorimetric measurements. The crystal structure of Na0.5Li0.5FeGe2O6 at 300 K is monoclinic C2/c (a=10.0333(1), b=8.8136(1), c=5.5295(9) Å, β=108.921(1)°). Calorimetric investigations indicate a displacive first order phase transition at T=271±1 K which is accompanied by the appearance of superstructure reflections in the X-ray patterns. At this transition Na0.5Li0.5FeGe2O6 undergoes a space group change from C2/c to P21/c (a=9.9692(3), b=8.8545(3), c=5.4752(2) Å, β=108.494(1)°). Magnetic order has been found below the Néel temperature TN≈18 K and has been refined from neutron diffraction. The quasi-low-dimensional magnetic spin system Na0.5Li0.5FeGe2O6 exhibits a collinear antiferromagnetic structure with the space group Pa21/c and the doubling of the unit cell along the crystallographic a-axis of the pyroxene crystal (propagation vector k=(1/2, 0, 0)). The critical modes which are responsible for the phase transition from C2/c to P21/c symmetry and for the magnetic transition from paramagnetic to antiferromagnetic state have been determined and their role in the transition is described. They are also the relevant mechanism driving the magnetic order in LiFeGe2O6.

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Держатели документа:
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Far Eastern State Transport Univ, Khabarovsk 680021, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
Paul Scherrer Inst, Lab Neutron Scattering & Imaging, CH-5232 Villigen, Switzerland

Доп.точки доступа:
Drokina, T. V.; Дрокина, Тамара Васильевна; Petrakovskii, G. A.; Петраковский, Герман Антонович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Misyul, S. V.; Мисюль, Сергей Валентинович; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Frontzek, M.; Schefer, J.; Ministry of Education and Science of the Russian Federation of Siberian Federal University
}
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Crystal and magnetic structures, phase transitions in quasi-onedimensional pyroxenes Na0.5Li 0.5FeGe2O6 / T. V. Drokina [и др.] // Int. Workshop on Phase Transit. and Inhomogeneous States in Oxides : book of abstracts. - Kazan, 2015. - P. 54

Материалы конференции

Доп.точки доступа:
Drokina, T. V.; Дрокина, Тамара Васильевна; Petrakovskii, G. A.; Петраковский, Герман Антонович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Misyul, S. V.; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Frontzek, M.; Schefer, J.; International Workshop on Phase Transitions and Inhomogeneous States in Oxides(2015 ; june ; 22-25 ; Kazan); "Фазовые переходы и неоднородные состояния в оксидах", международный семинар(2015 ; июнь ; 22-25 ; Казань)
}
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Crystal structure and phase transition mechanisms in CsFe2F6 / M. S. Molokeev [et al.] // J. Solid State Chem. - 2013. - Vol. 200. - P. 157-164DOI 10.1016/j.jssc.2013.01.038
Аннотация: For the first time, structural phase transitions induced by the temperature were found in AxMxIIM(1−x)IIIF3 fluorides with the defect pyrochlore structure (Fdm, Z=8). The room temperature structure of CsFe2F6 was determined using X-ray powder diffraction technique. This phase was found to be ordered with the Pnma space group. The study of the temperature stability of orthorhombic structure by differential scanning calorimeter between 100 K and 700 K has shown a succession of phase transitions. The Pnma (Z=4)→Imma (Z=4)→I41/amd (Z=4)→Fdm (Z=8) structural sequence was proposed to occur within a rather narrow temperature range 500–560 K. The mechanism of structural transition has been mainly associated with the rotation of (MF6) octahedra and small displacements of some Fe atoms. This assumption is in good agreement with the low experimental entropy value, which is characteristic for displacive transformations.

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Держатели документа:
Siberian Dept RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
State Agrarian Univ, Inst Energet & Management Energet Sources, Krasnoyarsk 660049, Russia
Siberian Fed Univ, Inst Phys Engn & Radioelect, Krasnoyarsk 660074, Russia
Univ Bordeaux, CNRS, ICMCB, F-33608 Pessac, France

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Misyul, S. V.; Мисюль, Сергей Валентинович; Tressaud, A.; Flerov, I. N.; Флёров, Игорь Николаевич
}
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10.

    Crystal structure and phase transitions of a layered perovskite-like CsScF4 crystal / A. S. Krylov [et al.] // CrystEngComm. - 2016. - Vol. 18, Is. 43. - P. 8472-8486, DOI 10.1039/c6ce01144f. - Cited References:47. - The authors are grateful to Prof. I. N. Flerov for valuable support and useful discussions. This work was partly supported by the Russian Foundation for Basic Research, Project 16-02-00102. The research is partially conducted within the framework of the state task of the Ministry of Education and Science of the Russian Federation for Siberian Federal University on R&D performance in 2014 (Task 3.2534.2014/K). X-ray data from powders, Raman NMR, and IR spectra were obtained with use the analytical equipment of Krasnoyarsk Center of collective use SB RAS. . - ISSN 1466-8033
   Перевод заглавия: Кристаллическая структура и фазовые переходы в слоистом перовскитоподобном кристалле CsScF4

РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
NEGATIVE THERMAL-EXPANSION
RAMAN-SCATTERING
LATTICE-DYNAMICS
Аннотация: This work is devoted to the complex research on temperature phase transitions in a CsScF4 crystal. The crystal structure was solved and refined at different temperatures by using the Rietveld method. Structural phase transitions were investigated by using the following spectroscopic methods, some of them for the first time: Brillouin spectroscopy, Raman spectroscopy, IR absorption spectroscopy and NMR. The symmetry analysis of the Brillouin zone center of all phases is presented. The vibrational spectra of the crystal in three phases have been calculated. The structural phase transition mechanism was determined. The transitions at T-1 = 475 K and T-2 = 317.5 K are of displacement type. The Raman soft modes have been associated with rotations of the ScF6 octahedral group.

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Держатели документа:
SB RAS, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.
SB RAS, Inst Automat & Electrometry, Novosibirsk 630090, Russia.

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Misyul, S. V.; Krylova, S. N.; Крылова, Светлана Николаевна; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Ivanenko, A. A.; Иваненко, Александр Анатольевич; Zykova, V. A.; Ivanov, Y. N.; Иванов, Юрий Николаевич; Sukhovsky, A. A.; Суховский, Андрей Андреевич; Voronov, V. N.; Воронов, Владимир Николаевич; Safonov, I. N.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Russian Foundation for Basic Research [16-02-00102]
}
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