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    Ferroelastic phase transitions in fluorides with cryolite and elpasolite structures / I. N. Flerov [et al.] // Crystallogr. Rep. - 2004. - Vol. 49, Is. 1. - P. 100-107, DOI 10.1134/1.1643969. - Cited References: 43 . - ISSN 1063-7745
Рубрики:
NUCLEAR MAGNETIC-RESONANCE
   THERMODYNAMIC PROPERTIES
   RB2KMIIIF6 ELPASOLITES
   NEUTRON-DIFFRACTION
   CRYSTALS
   PEROVSKITES
   DIAGRAM
   SC
   RB2KGAXSC1-XF6
   SCATTERING
Аннотация: The ferroelastic phase transitions are investigated in several series of fluoride crystals belonging to the elpasolite and cryolite families (space group Fm (3) over barm) with the general formula A(2)BB'F-6. The influence of the size and shape of cations and anions on the entropy and the mechanism of structural distortions is discussed. (C) 2004 MAIK "Nauka/Interperiodica".

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Публикация на русском языке Сегнетоэластические фазовые переходы во фторидах со структурой криолита и эльпасолита [Текст] / И. Н. Флеров [и др.] // Кристаллография. - 2004. - Т. 49 Вып. 1. - С. 107-114

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
Inst Chim Mat Condensee Bordeaux, F-33608 Pessac, France
ИФ СО РАН

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Tressaud, A.; Fokina, V. D.; Фокина, Валентина Дмитриевна
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Ferroelastic phase transitions in fluorides with cryolite and elpasolite structures / I. N. Flerov, M. V. Gorev, K. S. Aleksandrov [et al.] // Kristallogr. - 2004. - Vol. 49, Is. 1. - P. 107-115 . - ISSN 0023-4761

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Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Tressaud, A.; Fokina, V. D.; Фокина, Валентина Дмитриевна
}
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Malakhovskii, A. V.
Temperature dependence of the fine structure of the C and E absorption bands in RbMnF3 below the Neel temperature / A. V. Malakhovskii, T. P. Morozova // Phys. Solid State. - 2006. - Vol. 48, Is. 2. - P. 283-290, DOI 10.1134/S1063783406020156. - Cited References: 24 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PEROVSKITE FLUORIDES
   VIBRONIC SPECTRA
   CRYSTALS
   MNF2
   INTENSITY
   DICHROISM
   STATES
Аннотация: The variation in the parameters (width, position, intensity) of the fine structure lines in the C[(6)A(1g) - (4)A(1g), E-4(g)((4)G)] and E[(6)A(1g) - E-4(g)(D-4)] bands in RbMnF3 with temperature is studied in the temperature range 10-70 K. In the C band, two narrow ( 6 cm(-1)) lines are are distinguished at distances of 77 and 80 cm(-1) from the exciton line at T

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Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Morozova, T. P.; Малаховский, Александр Валентинович
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Phase transitions in oxides, fluorides and oxyfluorides with the ordered perovskite structure / I. N. Flerov [et al.] // Ferroelectrics : 8th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, RCBJSF-8 / sponsors: Murata Science Foundation ; (2006 ; 15.05 - 19.05). - Tsukuba : Gordon and Breach Science Publishers, 2007. - 346. - С. 77-83DOI 10.1080/00150190601180364

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Источник статьи
Держатели документа:
L. V. Kirensky Institute of Physics,Siberian Branch,RAS

Доп.точки доступа:
sponsors: Murata Science Foundation; Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Molokeev, M. S.; Молокеев, Максим Сергеевич; (2006 ; 15.05 - 19.05)
Нет сведений об экземплярах (Источник в БД не найден)
}
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Oxyfluorides with Elpasolite-Cryolite Structure as Materials of Fundamental and Practical Interests / Fokina V.D., Laptash N.M., Flerov I.N. // Advanced inorganic fluorides : the Third International Siberian workshop Intersibfluorine - 2008, September 01-06, 2008, Vladivostok, Russia : proceedings of ISIF-2008. - Vladivostok, 2008. - p. 29-30 . - ISBN 978-5-98128-036-8

Доп.точки доступа:
Fokina, V. D.; Фокина, Валентина Дмитриевна; Laptash, N. M.; Flerov, I. N.; Флёров, Игорь Николаевич; "Advanced inorganic fluorides", International Siberian workshop(3 ; 2008 ; SEP. ; Vladivostok)
}
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Pressure and Temperature dependence of Raman spectra in Rb2KTiOF5 [Text] / Krylov A.S.Goryainov S.A. [et al.] // Advanced inorganic fluorides : the Third International Siberian workshop Intersibfluorine - 2008, September 01-06, 2008, Vladivostok, Russia : proceedings of ISIF-2008. - Vladivostok, 2008. - p. 188 . - ISBN 978-5-98128-036-8

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр, Сергеевич; Goryainov, S. A.; Vtyurin, A. N.; Втюрин, Александр, Николаевич; Voronov, V. N.; Воронов, Владимир, Николаевич; Laptash, N. M.; "Advanced inorganic fluorides", International Siberian workshop(3 ; 2008 ; SEP. ; Vladivostok)
}
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Crystal structures of room and low temperature phases in RBKTiOF5 and RB2KFeF6 / M. Molokeev, A. Vasiliev [et al.] // Advanced inorganic fluorides : the Third International Siberian workshop Intersibfluorine - 2008, September 01-06, 2008, Vladivostok, Russia : proceedings of ISIF-2008. - 2008. - P69-70 . - ISBN 978-5-98128-036-8

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Voronov, V. N.; Воронов, Владимир Николаевич; Laptash, N. M.; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Flerov, I. N.; Флёров, Игорь Николаевич; Tressaud, A.; "Advanced inorganic fluorides", International Siberian workshop(3 ; 2008 ; Sep. ; Vladivostok)
}
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Vibrational spectroscopy study of phase transition in K3WO3F3: temperature and high pressure investigations [Text] / Ekimov A.A.Krylov A.S. [et al.] // Advanced inorganic fluorides : the Third International Siberian workshop Intersibfluorine - 2008, September 01-06, 2008, Vladivostok, Russia : proceedings of ISIF-2008. - Vladivostok, 2008. - p. 188 . - ISBN 978-5-98128-036-8

Доп.точки доступа:
Ekimov, A. A.; Krylov, A. S.; Крылов, Александр, Сергеевич; Vtyurin, A. N.; Ivanenko, A. A.; Иваненко, Александр, Анатольевич; Shestakov, N. P.; Шестаков, Николай, Петрович; Goryainov, S. V.; Kocharova, A. G.; Кочарова, Алла, Георгиевна; "Advanced inorganic fluorides", International Siberian workshop(3 ; 2008 ; SEP. ; Vladivostok)
}
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Structural Phase Transitions in Ammonium Oxofluoromolybdate (NH4)2MoO2F4 [Text] / A. D. Vasiliev, N.M. Laptash // Advanced inorganic fluorides : the Third International Siberian workshop Intersibfluorine - 2008, September 01-06, 2008, Vladivostok, Russia : proceedings of ISIF-2008. - Vladivostok, 2008. - p. 187 . - ISBN 978-5-98128-036-8

Доп.точки доступа:
Vasiliev, A. D.; Васильев, Александр Дмитриевич; Laptash, N. M.; "Advanced inorganic fluorides", International Siberian workshop(3 ; 2008 ; SEP. ; Vladivostok)
}
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10.

Crystallization and studies of A+B3+F4 compounds [Text] / Voronov V.N., Nikolayeva T.V. // Advanced inorganic fluorides : the Third International Siberian workshop Intersibfluorine - 2008, September 01-06, 2008, Vladivostok, Russia : proceedings of ISIF-2008. - Vladivostok, 2008. - p. 200-203 . - ISBN 978-5-98128-036-8

Доп.точки доступа:
Voronov, V. N.; Воронов, Владимир, Николаевич; Nikolayeva, T. V.; "Advanced inorganic fluorides", International Siberian workshop(3 ; 2008 ; SEP. ; Vladivostok)
}
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11.

Structure and ordering processes in A2BWO3F3 oxyfluorides studied by vibrational spectroscopy / Vtyurin A.N.Krylov A.S. [et al.] // Advanced inorganic fluorides : the Third International Siberian workshop Intersibfluorine - 2008, September 01-06, 2008, Vladivostok, Russia : proceedings of ISIF-2008. - Vladivostok, 2008. - p. 71-74 . - ISBN 978-5-98128-036-8

Доп.точки доступа:
Vtyurin, A. N.; Втюрин, Александр, Николаевич; Krylov, A. S.; Крылов, Александр, Сергеевич; Gerasimova, J. V.; Герасимова, Юлия Валентиновна; Ivanenko, A. A.; Иваненко, Александр, Анатольевич; Shestakov, N. P.; Шестаков, Николай, Петрович; Laptash, N. M.; Voit, E. I.; "Advanced inorganic fluorides", International Siberian workshop(3 ; 2008 ; SEP. ; Vladivostok)
}
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12.

Oxyfluorides and fluorides - new solid refrigerants [Text] / I. N. Flerov, M. V. Gorev // International Meeting "Inorganic fluorides for chemistry and environment, Optics and electronics". - 2010. - P. 31

Доп.точки доступа:
Flerov, I.N.; Gorev, M.V.; "Inorganic fluorides for chemistry and environment, Optics and electronics", International Meeting (2010 ; Apr. ; 14 ; Bordeaux, France)
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13.

    Disorder and phase transitions in oxyfluoride (NH4)(3)Ta(O-2)(2)F-4 / I. N. Flerov [et al.] // J. Fluor. Chem. - 2011. - Vol. 132, Is. 10. - P. 713-718, DOI 10.1016/j.jfluchem.2011.05.012. - Cited Reference Count: 19. - Гранты: This work was supported by the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (NSh-4645.2010.2). - Финансирующая организация: Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-4645.2010.2] . - ISSN 0022-1139
Рубрики:
HEAT-CAPACITY
   COMPLEXES
   RB2KTIOF5
   FLUORIDES
   CRYOLITE
Кл.слова (ненормированные):
cubic oxyfluorides -- structural disorder -- phase transitions -- entropy -- permittivity -- pressure effect -- cubic oxyfluorides -- entropy -- permittivity -- phase transitions -- pressure effect -- structural disorder
Аннотация: Calorimetric, X-ray, dielectric and DTA under pressure measurements have been performed on oxyfluoride (NH4)(3)Ta(O-2)(2)F-4. The succession of nonferroelectric phase transitions was found associated with the order-disorder processes. The comparative analysis tantalate with related niobate has revealed the important role of the central atom in the physical properties behavior, mechanism of structural distortions and barocaloric effect in oxyfluorides with the eight-coordinated anionic polyhedra. (C) 2011 Elsevier By. All rights reserved.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Siberian Dept, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
RAS, Inst Chem, Far Eastern Dept, Vladivostok 690022, Russia

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Bovina, A. F.; Бовина, Ася Федоровна; Bogdanov, E. V.; Богданов, Евгений Витальевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Laptash, N. M.
}
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14.

Flerov, I. N.
Fluorides and Oxyfluorides with Elpasolite-Cryolite Structure: Order-Disorder Phase Transitions and Barocaloric Efficiency / I. N. Flerov, M. V. Gorev // International Conference “Functional materials and nanotechnologies” FM&NT 2012. - 2012. - P. 65

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Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Флёров, Игорь Николаевич; Functional Materials and Nanotechnologies(2012 ; Apr. ; 17-20 ; Riga, Latvia)
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15.

Thermal properties and phase transitions in (NH4) 3ZrF7 / V. D. Fokina [et al.] // Journal of Fluorine Chemistry. - 2013. - Vol. 154. - P. 1-6, DOI 10.1016/j.jfluchem.2013.07.001 . - ISSN 0022-1139
Кл.слова (ненормированные):
Cubic fluorides -- Entropy -- Permittivity -- Phase transitions -- Pressure effect -- Thermal dilatation
Аннотация: The heat capacity, thermal dilatation, permittivity, and T-p phase diagram of (NH4)3ZrF7 have been studied in wide temperature and pressure ranges. Two phase transitions were found in addition to previously known structural transformations. The stability of crystal phases to temperature and pressure has been examined and a possibility of transition between two cubic phases has been discussed. The total excess entropy change SDSi = Rln6 is characteristic for the order-disorder processes, but its stepwise increase is not consistent with the structural model associated with the strong disorder assumed in the initial cubic phase. В© 2013 Elsevier B.V. All rights reserved.

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Держатели документа:
RAS, Siberian Dept, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
Krasnoyarsk State Agr Univ, Krasnoyarsk 660049, Russia
RAS, Far Eastern Dept, Inst Chem, Vladivostok 690022, Russia

Доп.точки доступа:
Fokina, V. D.; Фокина, Валентина Дмитриевна; Gorev, M. V.; Горев, Михаил Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
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16.

    Structural, spectroscopic, and electronic properties of cubic G0-Rb2KTiOF5 oxyfluoride / V. V. Atuchin [et al.] // J. Phys. Chem. C. - 2013. - Vol. 117, Is. 14. - P. 7269-7278, DOI 10.1021/jp401391y. - Cited References: 80. - This study was supported by SB RAS (Grant 28.13), the National Natural Science Foundation of China under Grants 11174297 and 91022036, and the National Basic Research Project of China (Nos. 2010CB630701 and 2011CB922204). . - ISSN 1932-7447
   Перевод заглавия: Структурные, спектроскопические и электронные свойства кубического оксифторида G0-Rb2KTiOF5.

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
RAY PHOTOELECTRON-SPECTROSCOPY
   SURFACE CHEMICAL-STABILITY
   EFFECTIVE IONIC-RADII
   PHASE-TRANSITIONS
   CRYSTAL-GROWTH
   HEAT-CAPACITY
   CORE LEVELS
   RB2KTIOF5
   FLUORIDES
   OXIDES
Аннотация: The G0-Rb2KTiOF5 single crystals with dimensions up to nearly a centimeter in size have been prepared by slow solidification method. The elpasolite-related crystal structure of G0-Rb2KTiOF5 has been refined by Rietveld method at T = 298 K (space group Fm (3) over barm, Z = 4, a = 8.880(1) angstrom, V = 700.16(2) angstrom(3); R-B = 2.66%). The wide optical transparency range of 0.25-9 mu m and forbidden band gap of E-g = 3.87 eV have been obtained for the G0-Rb2KTiOF5 crystal. Dominating photoluminescence bands at 3.36 and 2.33 eV are related to free and self-trapped excitons, respectively. The electronic structure of G0-Rb2KTiOF5 has been evaluated by X-ray photoelectron spectroscopy and calculated with the first-principles methods. A good agreement between theoretical and experimental results has been achieved. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and a wide comparison with related oxides and fluorides. The competition between O2- and F- ions for metal valence electrons has been found.

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Держатели документа:
Russian Acad Sci, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia
Russian Acad Sci, Inst Geol & Mineral, Lab Crystal Growth, Siberian Branch, Novosibirsk 630090, Russia
Russian Acad Sci, Inst Semicond Phys, Lab Phys Bases Integrated Microelect, Siberian Branch, Novosibirsk 630090, Russia
Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, BCCRD, Beijing 100190, Peoples R China
Russian Acad Sci, Siberian Branch, Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Kang, L.; Lin, Z. S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yelisseyev, A. P.; Zhurkov, S. A.
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17.

    Reconstructive phase transition in (NH4)3TiF7 accompanied by the ordering of TiF6 octahedra / M. S. Molokeev [et al.] // Acta Crystallogr. B. - 2014. - Vol. 70. - P. 924-931, DOI 10.1107/S2052520614021192. - This study was supported by Russian Fund of Basic Research, project No. 12-02-00056 a . - ISSN 0108-7681. - ISSN 1600-5740
   Перевод заглавия: Реконструктивный фазовый переход в (NH4)3TiF7, сопровождающийся упорядочением октаэдров TiF6

РУБ Crystallography
Рубрики:
CRYSTAL-STRUCTURE
   NEUTRON-DIFFRACTION
   POWDER DIFFRACTION
   FLUORIDES
   DISORDER
   MECHANISM
   PATHWAYS
   COMPLEX
   LI3THF7
   ALPHA
Кл.слова (ненормированные):
reconstructive phase transition -- ammonium heptafluorotitanate -- order-disorder transition
Аннотация: An unusual phase transition P4/mnc →Pa3 has been detected after cooling the (NH4)3TiF7 compound. Some TiF6 octahedra, which are disordered in the room-temperature tetragonal structure, become ordered in the low-temperature cubic phase due to the disappearance of the fourfold axis. Other TiF6 octahedra undergo large rotations resulting in huge displacements of the F atoms by 1.5-1.8 Å that implies a reconstructive phase transition. It was supposed that phases P4/mbm and Pm3m could be a high-temperature phase and a parent phase, respectively, in (NH4)3TiF7. Therefore, the sequence of phase transitions can be written as Pm3m → P4/bm → P4/mnc → Pa3. The interrelation between (NH4)3TiF7, (NH4)3GeF7 and (NH4)3PbF7 is found, which allows us to suppose phase transitions in relative compounds.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian State Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660074, Russia
Inst Chem, Vladivostok 660022, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Misjul, S. V.; Мисюль, Сергей Валентинович; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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18.

    Phase transitions in perovskite-like fluorides studied by Raman spectroscopy [Текст] / S. N. Krylova [и др.] // The 5th International Conference on Perspectives in Vibrational Spectroscopy ICOPVS-2014. - 2014. - С. 12DOI 10.13140/2.1.2959.0408
   Перевод заглавия: Фазовые переходы в перовскитоподобных фторидах исследование методом
Аннотация: Since the discovery of Raman phenomenon the Raman spectroscopy has been considered as an efficient technique to study the structure and lattice dynamics of crystals. The creation of the monochromatic radiation laser sources has revolutionized this classical field of vibrational spectroscopy and provided an impetus to create new ones. It is established that inelastic light scattering contains valuable information on the crystal structure, phonon spectrum, mechanisms of electron-phonon and phonon-phonon.
Phase transitions in perovskite-like fluorides studied by Raman spectroscopy Krylova S.a, Krylov A.a, Voronov V.a and Vtyurin A.a a Akademgorodok 50/38, Krasnoyarsk, 660036, L. V. Kirensky Institute of physics SB RAS, Russia, slanky@iph.krasn.ru Since the discovery of Raman phenomenon the Raman spectroscopy has been considered as an efficient technique to study the structure and lattice dynamics of crystals. The creation of the monochromatic radiation laser sources has revolutionized this classical field of vibrational spectroscopy and provided an impetus to create new ones. It is established that inelastic light scattering contains valuable information on the crystal structure, phonon spectrum, mechanisms of electron-phonon and phonon-phonon interactions. Obtaining this information is an important task of the solid state spectroscopy. Such experiments are necessary to investigate new crystalline materials and structures. During last decades many crystals with a complex structure were synthesized. They became new objects of fundamental solid-state physics as the perspective materials for practical use. There is a perovskite-like family including perovskites, elpasolites, layered perovskites, cryolites and other crystals with octahedral molecular ions. Perovskites are model objects to study phase transitions in crystals. The family includes the majority of modern inorganic materials applied in nonlinear optics and quantum electronics. Some of the perovskite-like materials are ferroelectrics, piezoelectrics or superconductors. This work shows the possibilities of Raman spectroscopy with reference to the phase transition investigations of some perovskite-like fluorides. It is shown that Raman spectroscopy provides the opportunity for understanding the phase transition mechanisms and estimating the behavior of ion groups at phase transition. It is shown by Raman spectroscopy that the temperature transitions from cubic into low symmetry phases in Rb2KScF6, Rb2KInF6, Rb2NaYF6 crystals result from the lattice instability caused by the MeF63+ octahedral ion tilting [1, 2]. The experimental data and results of the numerical simulations reveal that the phase transitions in the Rb2KTiOF5 crystal are due to the orientational ordering of the TiOF5 groups, but new phases remain partially disordered as well [3]. The temperature phase transitions in the (NH4)2WO2F4 crystal are caused by the ordering of molecular quasi-octahedral groups [WO2F4]2– and ammonium groups [4]. Acknowledgements This work was partly supported by the Russian Foundation for the Basic Research project no. 12-02-00056, no. 13-02-00825, and integration project SB RAS

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Доп.точки доступа:
Krylova, S. N.; Крылова, Светлана Николаевна; Krylov, A. S.; Крылов, Александр Сергеевич; Voronov, V. N.; Воронов, Владимир Николаевич; Vtyurin, A. N.; Втюрин, Александр Николаевич; International Conference on Perspectives in Vibrational Spectroscopy (5 ; 2014 ; 8-12 July ; Trivandrum, India)
}
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19.

    Crystal and local structure refinement in Ca2Al3O6F explored by X-ray diffraction and Raman spectroscopy / Z. G. Xia [et al.] // Phys. Chem. Chem. Phys. - 2014. - Vol. 16, Is. 13. - P. 5952-5957, DOI 10.1039/c3cp53816h. - Cover illustration: Graphical abstract from this article. - Cited References: 34. - This present work was supported by the National Natural Science Foundations of China (Grant No. 51002146, 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047) and Beijing Youth Excellent Talent Program (YETP0635), and this study was also partially supported by SB RAS, Grant 28.13. Part of the work was supported by the National Science Council of Taiwan under contract No. NSC 101-2113-M-002-014-MY3. . - ISSN 1463-9076. - ISSN 1463-9084
   Перевод заглавия: Уточнение кристаллической и локальной структуры в Ca2Al3O6F при помощи рентгеновской дифракции и Рамановской спектроскопии

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
EMITTING OXYFLUORIDE PHOSPHOR
   PHASE-TRANSITIONS
   SOLID-STATE
   FLUORIDES
   DIODES
Аннотация: We present a combined structural analysis on the powder of the Ca2Al3O6F phase using X-ray diffraction (XRD) and Raman spectroscopy techniques. The crystal structure of Ca2Al3O6F has been refined in the rhombohedral system, R space group, a = 17.3237(7) Å, c = 7.00017(4) Å, V = 1819.38(2) Å3, Z = 6. The Ca2Al3O6F phase consists of almost ideal AlO4 tetrahedrons linked through corners, Ca2+ ions in voids, and F− ions disordered over 6 sites around the Ca2 ion. The two different Ca sites have also been verified by the photoluminescence spectrum and decay curves using Eu2+ as the probe ion substituted onto the Ca2+ sites. A lattice dynamics simulation based on the simplified version of the Born–Karman potential model has been produced. Calculated Raman phonon modes agree qualitatively well with the experimental data. The calculations show that the strong line at 538 cm−1 (Ag) corresponds to the vibrational mode of a six-membered AlO4 tetrahedrons ring, and the line at 572 cm−1 (Ag) corresponds to the full symmetric vibration of fluorine atoms in the ab crystal plane.

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Держатели документа:
China Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, LV Kirensky Phys Inst, Lab Mol Spect, Krasnoyarsk 660036, Russia
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090 90, Russia
Natl Taiwan Univ, Dept Chem, Taipei 10617, Taiwan
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China

Доп.точки доступа:
Xia, Zhiguo; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Atuchin, V. V.; Liu, R. S.; Dong, C.
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20.

Unusual sequence of phase transitions in (NH4)3TiF7 detected by optic and calorimetric studies / S. V. Mel'nikova [et al.] // J. Fluor. Chem. - 2014. - Vol. 165. - P. 14-19, DOI 10.1016/j.jfluchem.2014.05.016. - Cited References: 13. - This work was supported by Russian Foundation for Basic Research (Grant no. 12-02-00056), and the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (Grant no. NSh-924.2014.2). . - ISSN 0022-1139. - ISSN 1873-3328

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
CRYSTAL-STRUCTURE
DIFFRACTION
NH4F
Кл.слова (ненормированные):
Cubic fluorides -- Phase transitions -- Crystal-optic -- Calorimetry
Аннотация: For the first time structural transformations were observed for one of the compounds belonging to the family of double salt fluorides A3MeF7 = A2MeF6·AF. Single crystals of (NH4)3TiF7 = (NH4)2TiF6·NH4F were grown by evaporation of the aqueous solution. Polarizing optical observations, heat capacity and birefringence Δn = (no − ne) measurements were performed in a wide temperature range 100–400 K. Two reversible, first order structural phase transitions were found to be followed by an unusual sequence of symmetry changes: cubic (G3) (T2↓ = 287.5 K; T2↑ = 291–310 K) ↔ P4/mnc (G2) (T1↓ = 358.5 K; T1↑ = 360 K) ↔ 4/m (G1). The twin structures observed were described assuming the existence of cubic parent phase G0 with P m 3 ¯ m symmetry.

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Держатели документа:
RAS, LV Kirensky Phys Inst, Siberian Dept, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
Russian Acad Sci, Inst Chem, Far Eastern Dept, Vladivostok 690022, Russia

Доп.точки доступа:
Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.; Russian Foundation for Basic Research [12-02-00056]; Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-924.2014.2]
}
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