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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mel'nikova S. V., Pogoreltsev E. I., Flerov I. N., Laptash N. M.
Заглавие : Unusual sequence of phase transitions in (NH4)3TiF7 detected by optic and calorimetric studies
Коллективы : 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]
Место публикации : J. Fluor. Chem.: Elsevier Science, 2014. - Vol. 165. - P.14-19. - ISSN 0022-1139, DOI 10.1016/j.jfluchem.2014.05.016. - ISSN 1873-3328
Примечания : 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).
Предметные рубрики: CRYSTAL-STRUCTURE
DIFFRACTION
NH4F
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bartolome J., Arauzo A., Kazak N. V., Ivanova N. B., Ovchinnikov S. G., Knyazev Yu. V., Lyubutin I. S.
Заглавие : Uniaxial magnetic anisotropy in Co2.25Fe0.75O2BO3 compared to Co3O2BO3 and Fe3O2BO ludwigites
Разночтения заглавия :авие SCOPUS: Uniaxial magnetic anisotropy in Co2.25Fe0.75O 2BO3 compared to Co3O2BO3 and Fe3O2BO ludwigites
Место публикации : Phys. Rev. B: AMER PHYSICAL SOC, 2011. - Vol. 83, Is. 14. - Ст.144426. - ISSN 1098-0121, DOI 10.1103/PhysRevB.83.144426
Примечания : Cited References: 25. - The authors acknowledge V. V. Rudenko for the oxyborate samples they made and O. A. Bayukov for fruitful discussion. The financial support of Spanish MINCYT, Grant No. MAT08/1077, and the Aragonese E-34 project are acknowledged. Fruitful discussions with F. Bartolome and P. Bordet are acknowledged. The latter is thanked for providing the FeINF3/INFOINF2/INFBOINF3/INF single crystal. Also this study was supported by the Russian Foundation for Basic Research (Project No. 09-02-00171-a), the Federal Agency for Science and Innovation (Rosnauka) (Project No. MK-5632.2010.2), and the Physical Division of the Russian Academy of Science (Program "Strongly Correlated Electrons," Project No. 2.3.1).
Предметные рубрики: CRYSTAL-STRUCTURE
MOSSBAUER
CO3BO5
Аннотация: Magnetic and Mossbauer spectroscopy (MS) measurements have been performed on a single crystal of Co2.25Fe0.75O2BO3 with ludwigite structure. Two magnetic transitions (T-N = 115 K and T-C = 70 K) were traced from the ac susceptibility temperature dependence. The MS spectra as a function of temperature clearly show the onset of magnetic ordering below 115 K. Magnetization measurements on the parent Co3O2BO3 and Fe3O2BO3 compounds have been done for comparison. In Fe3O2BO3 the anisotropy of the different phases has been determined, showing that the anisotropy axis changes from the a to the b axis in the low-temperature antiferromagnetic phase. High magnetic uniaxial anisotropy has been detected for both Co3O2BO3 and Co2.25Fe0.75O2BO3. From the angle-dependent magnetization measurements it is found that in both compounds the easy axis of magnetization is the b [010] axis, where an antiferromagnetic component is superimposed on the main ferromagnetic component. In the c direction the behavior is purely antiferromagnetic. In Co2.25Fe0.75O2BO3 a strong reduction of the remanent magnetization and a very strong increase in coercive field along the b axis with respect to those found in Co3O2BO3 were observed from magnetic hysteresis cycles measured below T-C. The increase of coercive field is caused by the increase of defects upon Co substitution by Fe.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gorev M., Bogdanov E. V., Flerov I. N., Laptash N. M.
Заглавие : Thermal expansion, phase diagrams and barocaloric effects in (NH4)(2)NbOF5
Коллективы :
Разночтения заглавия :авие SCOPUS: Thermal expansion, phase diagrams and barocaloric effects in (NH 4)2NbOF5
Место публикации : J. Phys.: Condens. Matter: IOP PUBLISHING LTD, 2010. - Vol. 22, Is. 18. - Ст.185901. - ISSN 0953-8984, DOI 10.1088/0953-8984/22/18/185901
Примечания : Cited References: 17. - This work was supported in part by the Krasnoyarsk Regional Foundation for Support of Scientific and Scientific-Technological Investigations and RFBR in the framework of project 'Siberia' (Grant No. 09-02-98001), and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools (project No. Nsh-1011.2008.2).
Предметные рубрики: CRYSTAL-STRUCTURE
SOLID-STATE
OXYFLUORIDE
TRANSITION
ANION
Ключевые слова (''Своб.индексиров.''): antiferromagnets--ferromagnets--heat capacities--high stress--intermediate phase--pippard relations--structural phase transition--transition temperature--uniaxial pressures--financial data processing--phase diagrams--phase transitions--thermal stress--tools--thermal expansion
Аннотация: The thermal expansion along the a, b and c axes of a (NH4)(2)NbOF5 crystal was measured from 120 to 300 K. Anomalies of alpha(T) associated with previously reported phase transitions Cmc2(1) - C-2 - I a were observed along all directions at T-1 = 259.3 K and T-2 = 220.5 K. The analysis of thermal expansion and heat capacity in the frame of the Pippard relations has permitted us to determine the uniaxial pressure derivatives of the transition temperatures dT/d sigma(i). The T-sigma(i) phase diagrams have shown a tendency for the intermediate phase to disappear at high stress along the b and c axes. Intensive and extensive barocaloric effects near the structural phase transitions were found to be comparable with the caloric parameters of some ferroelectrics, ferromagnets and antiferromagnets.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasiliev, Alexander D., Cherepakhin, Alexander V., Zaitsev, Alexander I.
Заглавие : The trigonal polymorph of strontium tetraborate, beta-SrB4O7
Место публикации : Acta Crystallogr. Sect. E.-Struct Rep. Online. - MALDEN: WILEY-BLACKWELL, 2010. - Vol. 66, Part 6. - С. I48-U132. - JUN. - ISSN 1600-5368, DOI 10.1107/S1600536810019069
Примечания : Cited Reference Count: 22. - Гранты: We thank the State Program for Support of Leading Scientific Schools (grant LS-4645.2010.2.)Финансирующая организация: Leading Scientific Schools [LS-4645.2010.2]
Предметные рубрики: CRYSTAL-STRUCTURE
SRB4O7
LUMINESCENCE
MODEL
Ключевые слова (''Своб.индексиров.''): tetra
Аннотация: The asymmetric unit of the title compound, beta-SrB4O7, contains five Sr atoms (three located on a threefold rotation axis), twelve B and 21 O atoms. The structure is made up from BO3 triangles and BO4 tetrahedra in a 1:1 ratio. Pairs of BO3 triangles are linked to BO4 tetrahedra via common corners, forming chains. These chains are further linked to adjacent chains through corner-sharing, leading to a three-dimensional framework with channels running parallel to [001]. The Sr2+ ions reside in the channels and exhibit strongly distorted polyhedra The density of the beta-polymorph is considerably lower than that of beta-SrB4O7, which is constructed solely from BO4 tetrahedra.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Vereshchagin, Sergey N., Sterkhova I. V., Atuchin V. V.
Заглавие : The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : Polyhedron: PERGAMON-ELSEVIER SCIENCE LTD, 2015. - Vol. 85. - P.493-498. - ISSN 0277-5387, DOI 10.1016/j.poly.2014.09.011
Примечания : Cited References:42. - The study has been carried out within the public task of the Ministry ofEducation and Science of the Russian Federation for research engineeringat the Siberian Federal University in 2014. V.V.A. is partly supportedby the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: CRYSTAL-STRUCTURE
2-THIOBARBITURIC ACID
STRUCTURAL-CHARACTERIZATION
HYDROGEN-BOND
DIFFRACTION
THIOBARBITURATE
CHEMISTRY
NETWORKS
SPECTRA
SERIES
Ключевые слова (''Своб.индексиров.''): 1,3-diethyl-2-thiobarbituric acid--alkali ions--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: Three new complexes of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, HDETBA) with Li+, Na+, K+ alkali ions were synthesized. The complexes have been prepared by neutralization of 1,3-diethyl-2-thiobarbituric acid with the corresponding metal hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The compounds of MDETBA with M = Li and M = Na crystallize in the monoclinic lattice with a = 10.678(1) Å, b = 7.2687(9) Å, c = 13.202(2) Å, β = 108.841(2)°, Z = 4, V = 969.8(2) Å3, S.G. P21/n and a = 10.534(2) Å, b = 7.604(1) Å, c = 14.186(1) Å, β = 108.964(4)°, Z = 4, V = 1074.6(3) Å3, S.G. P21/n, respectively. Сompound KDETBA crystallizes in the orthorhombic lattice with a = 4.2541(6) Å, b = 14.739(2) Å, c = 16.635(3) Å, Z = 4, V = 1043.1(3) Å3, S.G. P212121. In Li(I) and Na(I) complexes, the DETBA− ion is in cis-configuration and, in the K(I) complex, this ion is in trans-configuration. The reason for the transformation from cis- to trans-configuration has been rationalized.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grossman, Victoria G., Bazarova J. G., Molokeev M. S., Bazarov B. G.
Заглавие : Thallium ionic conductivity of new thallium indium hafnium molybdate ceramics
Коллективы : RFBRRussian Foundation for Basic Research (RFBR) [0339-2016-0007]; [18-08-00799]; [18-03-00557]
Место публикации : Ionics. - 2020. - Vol. 26. - P.6157-6165. - ISSN 0947-7047, DOI 10.1007/s11581-020-03739-7. - ISSN 1862-0760(eISSN)
Примечания : Cited References: 60. - This study was carried out within the state assignment of FASO of Russia (Theme No 0339-2016-0007) as well was supported by RFBR Grants 18-08-00799 and 18-03-00557
Предметные рубрики: POSITIVE ELECTRODE MATERIAL
CRYSTAL-STRUCTURE
TRIPLE MOLYBDATE
Аннотация: In the process of studying the system Tl2MoO4–In2(MoO4)3–Hf(MoO4)2, a new thallium indium hafnium molybdate was found. The crystal structure of the molybdate Tl5InHf(MoO4)6 was determined in the centrosymmetric space group R3¯c (a = 10.63893 (5) Å, c = 38.1447(3) Å; V = 3739.04 (4) Å3, Z = 6). The structure is a three-dimensional framework consisting of alternating (Hf,In)O6-octahedra connected by МоО4-tetrahedra. Each octahedron has common vertices with tetrahedra. The atoms arranged in this way form channels extended along with the a and b axes, in which thallium atoms are located. The conductivity behavior of Tl5InHf(MoO4)6 ceramics was studied in the temperature range from 300 to 870 K. The conductivity of the heavy cations of thallium is activated with increasing temperature.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisova L. T., Molokeev M. S., Irtyugo L. A., Beletskii V. V., Kargin, Yu. F., Denisov V. M.
Заглавие : Synthesis, structure, and thermophysical properties of EuGaGe2O7
Место публикации : Inorg. Mater. - 2020. - Vol. 56, Is. 8. - P.854-858. - ISSN 0020-1685, DOI 10.1134/S002016852008004X. - ISSN 1608-3172(eISSN)
Примечания : Cited References: 18
Предметные рубрики: TEMPERATURE HEAT-CAPACITY
THERMODYNAMIC PROPERTIES
CRYSTAL-STRUCTURE
Аннотация: The europium gallium germanate EuGaGe2O7 has been prepared by solid-state reaction in air in the temperature range 1273–1473 K using a stoichiometric mixture of Eu2O3, Ga2O3, and GeO2. Its crystal structure has been determined by X-ray diffraction (sp. gr. P21/c, a = 7.1693(7) Å, b = 6.57008(6) Å, c = 12.7699(1) Å, β = 117.4522(5)°, V = 533.768(8) Å3). The heat capacity of polycrystalline samples has been determined by differential scanning calorimetry in the temperature range 350–1053 K and the experimental data have been used to calculate the thermodynamic properties (enthalpy increment, entropy change, and reduced Gibbs energy change) of EuGaGe2O7.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Andreev O. V., Atuchin V. V., Aleksandrovsky A. S., Denisenko Y. G., Zakharov B. A., Tyutyunnik A. P., Habibullayev N. N., Velikanov D. A., Ulybin D. A., Shpindyuk D. D.
Заглавие : Synthesis, structure, and properties of EuLnCuSe3 (Ln = Nd, Sm, Gd, Er)
Коллективы : Ministry of Science and Higher Education of the Russian Ferderation [AAAA-A21-121011390011-4, AAAA-A19-119031890025-9]; Government of the Tyumen Region [2. 89-don]
Место публикации : Crystals. - 2022. - Vol. 12, Is. 1. - Ст.17. - ISSN 2073-4352(eISSN), DOI 10.3390/cryst12010017
Примечания : Cited References: 60. - The study was funded by the Ministry of Science and Higher Education of the Russian Ferderation (Projects AAAA-A21-121011390011-4 and AAAA-A19-119031890025-9), as well as the Government of the Tyumen Region (grant to non-profit organizations No. 2. 89-don, dated 7 December 2020)
Предметные рубрики: RARE-EARTH
CRYSTAL-STRUCTURE
MAGNETIC-PROPERTIES
CHALCOGENIDES
Аннотация: EuLnCuSe3 (Ln = Nd, Sm, Gd, Er), due to their complex composition, should be considered new materials with the ability to purposefully change the properties. Samples of the EuLnCuSe3 were prepared using Cu, rare earth metal, Se (99.99%) by the ampoule method. The samples were obtained by the crystallization from a melt and annealed at temperatures 1073 and 1273 K. The EuErCuSe3 crystal structure was established using the single-crystal particle. EuErCuSe3 crystallizes in the orthorhombic system, space group Cmcm, KCuZrS3 structure type, with cell parameters a = 4.0555 (3), b = 13.3570 (9), and c = 10.4602 (7) Å, V = 566.62 (6) Å3. In structure EuErCuSe3, erbium ions are coordinated by selenium ions in the octahedral polyhedron, copper ions are in the tetrahedral coordination, europium ions are between copper and erbium polyhedra layers and are coordinated by selenium ions as two-cap trigonal prisms. The optical band gap is 1.79 eV. At 4.7 K, a transition from the ferrimagnetic state to the paramagnetic state was detected in EuErCuSe3. At 85 and 293 K, the compound is in a paramagnetic state. According to XRPD data, EuLnCuSe3 (Ln = Nd, Sm, Gd) compounds have a Pnma orthorhombic space group of the Eu2CuS3 structure type. For EuSmCuSe3, a = 10.75704 (15) Å, b = 4.11120 (5) Å, c = 13.37778 (22) Å. In the series of EuLnCuSe3 compounds, the optical band gap increases 1.58 eV (Nd), 1.58 eV (Sm), 1.72 eV (Gd), 1.79 eV (Er), the microhardness of the 205 (Nd), 210 (Sm), 225 (Gd) 235 ± 4 HV (Er) phases increases, and the thermal stability of the phases increases significantly. According to the measurement data of differential scanning calorimetry, the EuNdCuSe3 decomposes, according to the solid-phase reaction T = 1296 K, ΔH = 8.2 ± 0.8 kJ/mol. EuSmCuSe3 melts incongruently T = 1449 K, ΔH = 18.8 ± 1.9 kJ/mol. For the EuGdCuSe3, two (Tα↔β = 1494 K, ΔHα↔β = 14.8 kJ/mol, Tβ↔γ = 1530 K, ΔHβ↔γ = 4.8 kJ/mol) and for EuErCuSe3 three polymorphic transitions (Tα↔β = 1561 K, ΔHα↔β = 30.3 kJ/mol, Tβ↔γ = 1579 K, ΔHβ↔γ = 4.4 kJ/mol, and Tγ↔δ = 1600 K, ΔHγ↔δ = 10.1 kJ/mol). The compounds melt incongruently at the temperature of 1588 K, ΔHmelt = 17.9 ± 1.8 kJ/mol and 1664 K, ΔHmelt = 25.6 ± 2.5 kJ/mol, respectively. Incongruent melting of the phases proceeds with the formation of a solid solution of EuSe and a liquid phase.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grossman V. G., Bazarov B. G., Stefanovich S. Y., Molokeev M. S., Bazarova J. G.
Заглавие : Synthesis, structure and properties of K2(1-x)Rb2xAl2B2O7 and Cs1.39Tl0.61Al2B2O7 borates as the basis for preparing new oxide materials
Коллективы : [0339-2016-0007]
Место публикации : Lett. Mater. - 2019. - Vol. 9, Is. 1. - P.86-90. - ISSN 2218-5046, DOI 10.22226/2410-3535-2019-1-86-90; Письма о материалах. - ISSN 2410-3535(eISSN)
Примечания : Cited References:22. - The research was carried out within the state assignment of FASO of Russia (Theme No 0339-2016-0007).
Предметные рубрики: OPTICAL-PROPERTIES
CRYSTAL-STRUCTURE
K2Al2B2O7
GROWTH
Аннотация: With the development of technology, the need for highly efficient functional materials is steadily increasing. Currently, borates attract the attention of researchers, as they are promising nonlinear materials. Potassium rubidium aluminum borate based on potassium aluminum borate (trigonal syngony, space group P321, Z = 3) was obtained by solid-phase synthesis. The individuality and purity of the borates were confirmed by X-ray diffraction. Analysis of differential scanning calorimetry and thermogravimetric method for K2(1‑x)Rb2xAl2B2O7 (x = 0.1– 0.8) was performed in the temperature range of 25–1075°С. Potassium rubidium borates decompose in the temperature range of 900 –1000°C. Differential scanning calorimetry, dielectric loss tangent, and second-harmonic generation data revealed phase transitions for K0.6Rb1.4Al2B2O7. A significant SHG effect was found at room temperature for K0.6Rb1.4Al2B2O7 (Q = 70). Then the SHG effect increases to Q = 85 at a temperature of 645°C and remains constant with a further increase in temperature. The new triple borate Cs1.39Tl0.61Al2B2O7 was synthesized by the solid-phase synthesis, and its crystallographic parameters were obtained by the Rietveld method. This borate crystallizes in the monoclinic space group P21 / c with the unit cell parameters: Z = 2, a = 6.6669(3) Å, b = 7.2991(3) Å , c = 9.3589(4) Å , β =116.6795(18)°, V = 406.94(3) Å 3. The structure can be considered to be built up from the nearly planar [Al2B2O10] rings, which are composed of two AlO4 tetrahedra and two BO3 triangles, connected, alternately to each other by corner-sharing.С развитием технологии потребность в высокоэффективных функциональных материалах растет. В настоящее время бораты привлекают внимание исследователей, поскольку они являются перспективными нелинейными материалами. Твердофазным синтезом получены бораты K2(1-x)Rb2xAl2B2O7 (x = 0.1–0.8) на основе калий-алюминиевого бората (тригональная сингония, пространственная группа P321, Z = 3). Индивидуальность и чистота боратов подтверждена рентгеновской дифракцией. Анализ дифференциально-сканирующей калориметрией и термогравиметрическим методом для K2(1-x)Rb2xAl2B2O7 (x = 0.1–0.8) был проведен в интервале температур 25–1075 ºС. Калий-рубидиевые бораты разлагаются в интервале температур 900–1000 °C. Дифференциальной сканирующей калориметрией, диэлектрическими измерениями и методом генерации второй оптической гармоники выявлены фазовые переходы для K0.6Rb1.4Al2B2O7. Значительный ГВГ-эффект был обнаружен при комнатной температуре для K0.6Rb1.4Al2B2O7 (Q = 70). Эффект генерации второй гармоники возрастает до Q = 85 при температуре 645 °C и остается постоянным при дальнейшем увеличении температуры. Новый тройной борат Cs1.39Tl0.61Al2B2O7 был синтезирован методом твердофазного синтеза, а его кристаллографические параметры были получены с помощью метода Ритвельда. Этот борат кристаллизуется в моноклинной пространственной группе P21/c с параметрами элементарной ячейки: Z = 2, a = 6.6669 (3) Å, b = 7.2991 (3) Å, c = 9.3589 (4) Å, β = 116.6795 (18)º, V = 406.94 (3) Å3. Структуру можно представить в виде почти плоских колец [Al2B2O10], которые состоят из двух тетраэдров AlO4 и двух BO3 треугольников, соединенных попеременно друг с другом посредством вершин.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Molokeev M. S., Yurkin G. Yu., Gavrilova T. A., Kesler V. G., Laptash N. M., Flerov I. N., Patrin G. S.
Заглавие : Synthesis, structural, magnetic, and electronic properties of cubic CsMnMoO3F3 oxyfluoride
Место публикации : J. Phys. Chem. C: American Chemical Society, 2012. - Vol. 116, Is. 18. - P.10162-10170. - ISSN 1932-7447, DOI 10.1021/jp302020f
Примечания : Cited References: 64. - We thank Dr. A.M. Ziatdinov for the electron paramagnetic resonance measurements. This study was partly supported by SB RAS (Grant 28).
Предметные рубрики: RAY PHOTOELECTRON-SPECTROSCOPY
PHASE-TRANSITIONS
CORE LEVELS
SURFACE CHARACTERIZATION
CRYSTAL-STRUCTURE
CLEAVED SURFACE
MIXED-VALENCE
OXIDES
MN
MOLYBDENUM
Chemical bondings
Cubic phase
Energy differences
Heat capacity measurements
Oxyfluorides
Powder samples
Solid-state synthesis
Space Groups
Temperature range
Valence electron
Binding energy
Chemical bonds
Electronic structure
Fluorine compounds
Magnetic properties
Metal ions
Photoelectrons
Rietveld method
X ray photoelectron spectroscopy
Electronic properties
Аннотация: A powder sample of CsMnMoO3F3 oxyfluoride has been prepared by solid state synthesis. The pyrochlore-related crystal structure of CsMnMoO3F3 has been refined by the Rietveld method at T = 298 K (space group Fd-3m, a = 10.59141(4) angstrom, V = 1188.123(8) angstrom(3); R-B = 3.44%). The stability of the cubic phase has been obtained over the temperature range T = 110-293 K by heat capacity measurements. Magnetic properties have been measured over the range of T = 2-300 K. The electronic structure of CsMnMoO3F3 has been evaluated by X-ray photoelectron spectroscopy. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and wide comparison with related oxides and fluorides. The competition between O-2(-) and F- ions for metal valence electrons has been found.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Chimitova O. D., Gavrilova T. A., Molokeev M. S., Kim S. J., Surovtsev N. V., Bazarov B. G., Bazarova Zh.G.
Заглавие : Synthesis, structural and vibrational properties of microcrystalline RbNd(MoO4)(2)
Коллективы : International Conference on Crystal Growth, International Conference on Vapor Growth and Epitaxy
Место публикации : J. Cryst. Growth: Elsevier Science BV, 2011. - Vol. 318, Is. 1. - P.683-686. - ISSN 0022-0248, DOI 10.1016/j.jcrysgro.2010.09.076
Примечания : Cited References: 26
Предметные рубрики: MOLYBDENUM TRIOXIDE
DOUBLE MOLYBDATES
CRYSTAL-STRUCTURE
GROWTH
LASER
MOO3
Ключевые слова (''Своб.индексиров.''): crystal structure--solid state synthesis--molybdate
Аннотация: Rubidium neodymium dimolybdate, RbNd(MoO4)(2), microcrystals have been fabricated by solid state synthesis at T=550-600 degrees C by t=324 ks. Crystal structure of RbNd(MoO4)(2) has been refined by Rietveld method in space group Pbcn with cell parameters a = 5.1772(1) angstrom, b = 18.7293(4) angstrom, and c = 8.2774(1) angstrom (R-B=5.05%). The crystal structure of RbNd(MoO4)(2) consists of layers of MoO4 tetrahedrons cornersharing with NdO8 square antiprisms. These layers are perpendicular to b-axis of the unit cell. About 20 narrow Raman lines have been observed in Raman spectrum recorded for RbNd(MoO4)(2) powder sample. (C) 2010 Elsevier B.V. All rights reserved.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Savina A. A., Atuchin V. V., Solodovnikov S. F., Solodovnikova Z. A., Krylov A. S., Maximovsky E. A., Molokeev M. S., Oreshonkov A. S., Pugachev A. M., Khaikina E. G.
Заглавие : Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs2NaBi(MoO4)3
Коллективы : Russian Foundation for Basic Research [4828.2012.2, 12-02-31205]; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" [8379]
Место публикации : J. Solid State Chem. - 2015. - Vol. 225. - P.53–58. - ISSN 0022-4596, DOI 10.1016/j.jssc.2014.11.023. - ISSN 1095-726X
Примечания : Cited References: 66. - The authors are grateful to Dr. K.M. Khal'baeva and Dr. Irina A. Gudkova for their assistance in preparing the compound and taking X-ray single-crystal diffraction data. This study is partly supported by the Russian Foundation for Basic Research (Grants 13-03-01020 and 14-03-00298). V.V.A., A.S.K. and A.S.O. gratefully acknowledge the Ministry of Education and Science of the Russian Federation for a partial financial support.
Предметные рубрики: CRYSTAL-STRUCTURE
SINGLE-CRYSTALS
VIBRATIONAL PROPERTIES
RAMAN-SPECTROSCOPY
HYDROTHERMAL SYNTHESIS
DIELECTRIC-PROPERTIES
SELECTIVE OXIDATION;
BISMUTH MOLYBDATES
IONIC-CONDUCTIVITY
OPTICAL-PROPERTIES
Ключевые слова (''Своб.индексиров.''): triple molybdate--sodium--cesium--bismuth--crystal structure--raman spectroscopy--crystal-structure--single-crystals--vibrational properties--raman-spectroscopy--hydrothermal synthesis--dielectric-properties--selective oxidation;--bismuth molybdates--ionic-conductivity--optical-properties
Аннотация: New ternary molybdate Cs2NaBi(MoO4)3 is synthesized in the system Na2MoO4–Cs2MoO4–Bi2(MoO4)3. The structure of Cs2NaBi(MoO4)3 of a new type is determined in noncentrosymmetric space group R3c, a=10.6435(2), c=40.9524(7) Å, V=4017.71(13) Å3, Z=12 in anisotropic approximation for all atoms taking into account racemic twinning. The structure is completely ordered, Mo atoms are tetrahedrally coordinated, Bi(1) and Bi(2) atoms are in octahedra, and Na(1) and Na(2) atoms have a distorted trigonal prismatic coordination. The Cs(1) and Cs(2) atoms are in the framework cavities with coordination numbers 12 and 10, respectively. No phase transitions were found in Cs2NaBi(MoO4)3 up to the melting point at 826 K. The compound shows an SHG signal, I2w/I2w(SiO2)=5 estimated by the powder method. The vibrational properties are evaluated by Raman spectroscopy, and 26 narrow lines are measured.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Aleksandrovsky A. S., Chimitova O. D., Krylov A. S., Molokeev M. S., Bazarov B. G., Bazarova J. G., Xia, Zhiguo
Заглавие : Synthesis and spectroscopic properties of multiferroic β΄-Tb2(MoO4)3
Коллективы : International Workshop on Advanced Spectroscopy and Optical Materials (4th; 14–19 July 2013; Gdańsk, Poland)
Место публикации : Opt. Mater./ ed.: M. Grinberg, P. Bojarski, A. Suchocki: Elsevier Science, 2014. - Vol. 36, Is. 10. - P.1631–1635. - ISSN 0925-3467, DOI 10.1016/j.optmat.2013.12.008. - ISSN 1873-1252
Примечания : Cited References: 43. - This study was partly supported by SB RAS under Projects 28.13 and 24.31, and by the PSB RAS Project No. 3.9.5b, and RFBR Projects
Предметные рубрики: FERROELECTRIC-FERROELASTIC Tb2(MoO4)3
STIMULATED RAMAN-SCATTERING
TRANSITION-METAL MOLYBDATES
RARE-EARTH MOLYBDATES
CRYSTAL-STRUCTURE
VIBRATIONAL PROPERTIES
LUMINESCENCE PROPERTIES
Tb-2(MoO4)3 CRYSTALS
TERBIUM MOLYBDATE
PHASE-TRANSITIONS
Ключевые слова (''Своб.индексиров.''): terbium molybdate--raman spectrum--optical properties
Аннотация: Orthorhombic terbium molybdate, β΄-Tb2(MoO4)3, microcrystals have been fabricated by solid state synthesis at T = 750-1270 K for t = 290 h. The crystal structure β΄-Tb2(MoO4)3 has been refined by Rietveld method in space group Pba2 with cell parameters of a = 10.35387(6), b = 10.38413(6) and c = 10.65695(7) A (RB = 1.83%). About 40 narrow Raman lines have been observed in the Raman spectrum recorded for the β΄-Tb2(MoO4)3 powder sample. The luminescence spectrum of β΄-Tb2(MoO4)3 has been measured under the excitation at 355 nm, and the intensive photoluminescence band at 540-550 nm has been found. В© 2013 Elsevier Ltd. All rights reserved.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Aleksandrovsky A. S., Chimitova O. D., Gavrilova T. A., Krylov A. S., Molokeev M. S., Oreshonkov A. S., Bazarov B. G., Bazarova J. G.
Заглавие : Synthesis and spectroscopic properties of monoclinic α-Eu2(MoO4)3
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : J. Phys. Chem. C: American Chemical Society, 2014. - Vol. 118, Is. 28. - P.15404-15411. - ISSN 1932-7447, DOI 10.1021/jp5040739
Примечания : Cited References: 63. - This study is partly supported by the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: RARE-EARTH MOLYBDATES
VIBRATIONAL PROPERTIES
LUMINESCENCE PROPERTIES
CRYSTAL-STRUCTURE
PHASE-TRANSITIONS
TRIPLE MOLYBDATE
SINGLE-CRYSTAL
X-RAY
PHOSPHORS
EUROPIUM
Аннотация: The microcrystals of monoclinic europium molybdate, alpha-Eu-2(MoO4)(3), have been fabricated by solid-state synthesis at T = 753-1273 K for 300 h. The crystal structure of alpha-Eu-2(MoO4)(3) has been refined by the Rietveld method and was found to belong to the space group C2/c with unit cell parameters a = 7.5576(1), b = 11.4709(2), c = 11.5158(2) angstrom, and beta = 109.278(1)degrees (R-B = 3.39%). About 40 narrow Raman lines have been observed in the Raman spectrum of the alpha-Eu-2(MoO4)(3) powder sample. The luminescence spectra of alpha-Eu-2(MoO4)(3) under excitation at 355 and 457.9 nm reveal domination of induced electric dipole transition D-5(0) - F-7(2) and the presence of ultranarrow lines at D-5(0) - F-7(0) and D-5(1) - F-7(0) transitions.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Bekenev V. L., Chimitova O. D., Molokeev M. S., Bazarov B. G., Bazarova J. G., Khuzhum O. Y., Lim C. S.
Заглавие : Synthesis and electronic properties of β-RbNd(MoO4)2
Место публикации : Asian J. Chem. - 2014. - Vol. 26, No. 5. - P.1284-1286. - ISSN 0970-7077, DOI 10.14233/ajchem.2014.17209
Примечания : Cited References: 26. - This study is partly supported by by the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: UP-CONVERSION PHOTOLUMINESCENCE
VIBRATIONAL PROPERTIES
CRYSTAL-STRUCTURE
PARTICLES
MOLYBDATE
SPECTROSCOPY
SYSTEM
ER3+
Ключевые слова (''Своб.индексиров.''): β-rbnd(moo4)2--electronic structure--ab initio calculations--x-ray photoelectron spectroscopy
Аннотация: The electronic structure of β-RbNd(MoO4)2 has been evaluated from experimental and theoretical points of view. For the molybdate, X-ray photoelectron valence-band spectra have been measured. The total and partial densities of states of the constituent atoms of β-RbNd(MoO4)2 have been calculated using the FP-LAPW method. The FP-LAPW data reveal that main contributors in the valence-band region of β-RbNd(MoO4)2 are the Rb 4p-, Nd 4f-, Mo 4d- and O 2p-like states.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Volkov N. V., Eremin E. V., Bayukov O. A., Sablina K. A., Solov'ev L. A., Velikanov D. A., Mikhashenok N. V., Osetrov E. I., Schefer J., Keller L., Boehm M.
Заглавие : Suppression of the long-range magnetic order in Pb-3(Mn1-xFex)(7)O-15 upon substitution of Fe for Mn
Место публикации : J. Magn. Magn. Mater.: Elsevier, 2013. - Vol. 342. - P.100-107. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2013.04.054
Примечания : Cited References: 20. - The study was supported by the Ministry of Education and Science of Russian Federation, Project no. 8365 by the Siberian Branch of the Russian Academy of Sciences, integration Project nos. 29 and 2.5.2.
Предметные рубрики: PROFILE REFINEMENT
CRYSTAL-STRUCTURE
PB3MN7O15
Ключевые слова (''Своб.индексиров.''): crystal growth--ferrimagnetism--layered magnetic compounds
Аннотация: Structure and magnetic properties of Pb-3(Mn1-xFex)(7)O-15 single crystals with x=0-0.2 grown by spontaneous crystallization from solution in melt have been investigated. All the crystals belong to the hexagonal space group P6(3)/mcm. The magnetic properties appeared to be strongly dependent on the iron doping level. At small (x=0.05) dopant concentrations, the value of magnetization and Neel temperature T-N decrease insignificantly (T-N=70 K). With increasing x, the three-dimensional magnetic ordering does not occur and temperature dependences of magnetization at x = 0.1 exhibit spin-glass-like features in the low-temperature region. (c) 2013 Elsevier B.V. All rights reserved.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gorev M. V., Flerov I. N., Bondarev V. S., Sciau P.
Заглавие : Studies of the thermodynamic properties of the ordered perovskites Pb2CdWO6 and Pb2YbTaO6 within a broad temperature range
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2002. - Vol. 44, Is. 2. - P353-357. - ISSN 1063-7834, DOI 10.1134/1.1451027
Примечания : Cited References: 18
Предметные рубрики: CRYSTAL-STRUCTURE
PB2COWO6
PB2MGWO6
PHASE
HEAT
Аннотация: This paper reports on measurements of the specific heat of Pb2CdWO6 made at temperatures ranging from 80 to 750 K and of Pb2YbTaO6 within the 350- to 700-K temperature range. First-order phase transitions from the cubic phase at 677.3 and 581 K, respectively, were observed, and their thermodynamic characteristics were determined. The entropy change on the phase transitions is close to Rln4 for both compounds. The results obtained are discussed in terms of the model of position disordering of the lead ions. It was established that below 350 K, Pb2CdWO6 can exist in two states, stable and metastable, depending on the sample thermal prehistory. (C) 2002 MAIK "Nauka/Interperiodica".
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Lesnikov M. K.
Заглавие : Structure of potassium and cesium barbiturates
Коллективы : Ministry of Education and Science [4.7666.2017/BCh]
Место публикации : Russ. J. Inorg. Chem. - 2018. - Vol. 63, Is. 10. - P.1315-1321. - ISSN 0036-0236, DOI 10.1134/S0036023618100078. - ISSN 1531-8613(eISSN)
Примечания : Cited References: 25. - This work was performed within the state task from the Ministry of Education and Science to the Siberian Federal University in 2017-2019 (4.7666.2017/BCh).
Предметные рубрики: CRYSTAL-STRUCTURE
THERMAL-PROPERTIES
1,3-DIETHYL-2-THIOBARBITURATE
Ключевые слова (''Своб.индексиров.''): potassium and cesium barbiturates--synthesis--structure--thermal decomposition
Аннотация: The structures of catena-[K(μ6-Hba−O,O,O,O′,O′,O″)] (I) and catena-[Cs(μ6-Hba–O,O,O′,O′,O″,O″)] (II), where Н2ba is barbituric acid C4H4N2O3, were characterized by powder X-ray diffraction. Crystallographic data: a = 14.1603 (4) Å, b = 3.68977 (9) Å, c = 10.9508 (3) Å, β = 82.226 (1)°, V = 566.90 (3) Å3, space group P21/n, Z = 4 for I; a = 14.652 (1) Å, b = 11.7275 (7) Å, c = 3.8098 (3) Å, β = 79.140 (6)°, V = 642.90 (8) Å3, space group C2/m, Z = 4 for II. The structural topologies of alkali metal complexes with barbituric acid and some its derivatives were compared. The thermal stability of complexes I and II in an air atmosphere was studied.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisova L. T., Molokeev M. S., Kargin, Yu F., Ryabov V. V., Chumilina L. G., Belousova, N., V, Denisov V. M.
Заглавие : Structure and thermodynamic properties of the DyGaTi2O7 and EuGaTi2O7 titanates
Коллективы : Russian Federation Ministry of Science and Higher Education [FSRZ-2020-0013]
Место публикации : Inorg. Mater. - 2021. - Vol. 57, Is. 7. - P.733-740. - ISSN 0020-1685, DOI 10.1134/S0020168521070050. - ISSN 1608-3172(eISSN)
Примечания : Cited References: 26. - This work was supported by the Russian Federation Ministry of Science and Higher Education as part of the state research target for the Siberian Federal University federal state autonomous educational institution of higher education, project no. FSRZ-2020-0013
Предметные рубрики: CRYSTAL-STRUCTURE
MAGNETIC-PROPERTIES
STATE
Аннотация: The DyGaTi2O7 and EuGaTi2O7 titanates have been prepared by solid-state reactions in a starting mixture of Dy2O3 (Eu2O3), Ga2O3, and TiO2 via firing in air at temperatures of 1273 and 1573 K, and their crystal structure has been studied by X-ray diffraction. Their high-temperature heat capacity (350-1000 K) has been determined by differential scanning calorimetry. The Cp(T) experimental data have been used to calculate the thermodynamic functions of the titanates.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Molokeev M. S., Sterkhova, I., V
Заглавие : Structure and Thermal Decomposition of Nd(III), Gd(III) and Tb(III) 2-Thiobarbiturates
Коллективы : Ministry of Education and Science of the Russian FederationMinistry of Education and Science, Russian Federation [4.7666.2017/BCh]
Место публикации : Russ. J. Inorg. Chem. - 2019. - Vol. 64, Is. 9. - P.1146-1151. - ISSN 0036-0236, DOI 10.1134/S0036023619090134. - ISSN 1531-8613(eISSN)
Примечания : Cited References: 21. - The work was performed as part of the State Assignment of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University in 2017-2019. (4.7666.2017/BCh). The powder X-ray diffraction studies were performed using the equipment at the Baikal and Krasnoyarsk Centers for Collective Use of the Siberian Branch of the Russian Academy of Sciences.
Предметные рубрики: CRYSTAL-STRUCTURE
TRANSFORMATION
Аннотация: Complexes [Ln2(H2O)6(μ2-Htba−O,O')4(Htba−O)2]n (Ln = Tb (I), Gd (II), Nd (III); and H2tba is thiobarbituric acid) have been synthesized. According to single-crystal X-ray diffraction, monoclinic crystals of I–III are isostructural. They contain three independent Htba– ions (one terminal and two bridging) and two independent Ln3+ ions. Six Htba– ligands (two terminal and four O,O'-bridging) and two water molecules are coordinated to one Ln3+ ion, and four O,O'-bridging Htba– ions and four water molecules are coordinated to the other Ln3+ ion to form square antiprisms. The antiprisms are bound by Htba– bridging ions into layers. Numerous hydrogen bonds and π–π interactions stabilize the structures of the compounds. Thermal decomposition of complexes I and II performed in air results in mixtures of oxides and oxysulfates, whereas complex III forms Nd2O2SO4.
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