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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antonova A. B., Chudin O. S., Vasiliev A. D., Rubaylo A. I., Verpekin V. V., Sokolenko W. A., Pavlenko N. I., Semeikin O. V.
Заглавие : Chemistry of vinylidene complexes. XX. Intramolecular carbonylation of vinylidene on the MnFe center: Spectroscopic and structural study. X-ray structure of the new trimethylenemethane type MnFe complex
Место публикации : J. Organomet. Chem.: Elsevier, 2011. - Vol. 696, Is. 4. - P.963-970. - ISSN 0022-328X, DOI 10.1016/j.jorganchem.2010.10.035
Примечания : Cited References: 52. - This work was partially supported by the Presidium of the Russian Academy of Sciences (Program for Basic Research, Project No. 7.18) and Russian Foundation for Basic Research (Grant No. 09-03-90745-mob_st). Authors are grateful to Prof. N.A. Ustynyuk for useful discussions, Dr. E.A. Shor and Dr. A.M. Shor for giving the data of quantum chemical study.
Предметные рубрики: MOLECULAR-STRUCTURE
ORGANOMETALLIC CHEMISTRY
TRICARBONYL COMPLEXES
UNSATURATED CARBENES
METAL VINYLIDENES
TRANSITION-METALS
ORGANIC-SYNTHESIS
CRYSTAL-STRUCTURE
IRON TRICARBONYL
MANGANESE
Ключевые слова (''Своб.индексиров.''): manganese--iron--carbonyl complexes--heteronuclear vinylidene complexes--intramolecular vinylidene carbonylation--trimethylenemethane complexes
Аннотация: Reactions of Fe-2(CO)(9) with Cp(CO)(2)Mn=C=CHPh (1) and Cp(CO)(PPh3)Mn=C=CHPh (3) gave the heterometallic trimethylenemethane complexes eta(4)-{C[Mn(CO)(2)Cp](CO)CHPh}Fe(CO)(3) (2) and eta(4)-{C[Mn(CO)(PPh3)Cp](CO)CHPh}Fe(CO)(3) (4), respectively. The formation of the benzylideneketene [PhHC=C=C=O] fragment included in complexes 2 and 4 occurs via intramolecular coupling of the carbonyl and vinylidene ligands. The structures of 3 and 4 were determined by single crystal XRD methods. The influence of the nature of the L ligands at the Mn atom on the structural and spectroscopic characteristics of eta(4)-{C[Mn(CO)(L)Cp](CO)CHPh}Fe(CO)(3) (L = CO (2), PPh3 (4)) is considered. According to the VT H-1 and C-13 NMR spectra, complex 2 reversibly transforms in solution into mu-eta(1):eta(1)-vinylidene isomer Cp(CO)(2)MnFe(mu-C=CHPh)(CO)(4) (2a), whereas complex 4 containing the PPh3 ligand is not able to a similar transformation. (C) 2010 Elsevier B.V. All rights reserved.
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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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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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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gerasimova Y. V., Oreshonkov A. S., Ivanenko A. A., Molokeev M. S., Isaenko L. I., Flerov I. N., Bogdanov E. V., Gorev M. V., Kartashev A. V., Krylov A. S.
Заглавие : Structural, spectroscopic, and thermophysical investigations of the oxyfluorides CsZnMoO3F3 and CsMnMoO3F3 with the pyrochlore structure
Коллективы : Russian Foundation for Basic Research [12-02-31205_mol_a]; Ministry of Education and Science of the Russian Federation [8379]; Siberian Branch of the Russian Academy of Sciences [28]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 56, Is. 3. - P.599-605. - ISSN 1063-7834, DOI 10.1134/S1063783414030135. - ISSN 1090-6460
Примечания : Cited References: 26. - This study was supported by the Russian Foundation for Basic Research (project no. 12-02-31205_mol_a), the Ministry of Education and Science of the Russian Federation within the framework of the Federal Target Program "Scientific and Scientific-Pedagogical Human Resources for the Innovative Russia" (agreement no. 8379), and the Siberian Branch of the Russian Academy of Sciences (Interdisciplinary Integration Project no. 28).
Предметные рубрики: PHASE-TRANSITIONS
CRYSTAL-STRUCTURE
STATE
Cs
Mo
Аннотация: The structure, infrared and Raman spectra, heat capacity, and thermal expansion have been investigated. It has been shown that, down to liquid-helium temperatures, the cubic pyrochlore structure of the CsMnMoO3F3 and CsZnMoO3F3 oxyfluorides remains stable. The influence of cation substitution on individual features of the properties of the oxyfluorides has been analyzed.
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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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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ji H. P., Huang Z. H., Xia Z. G., Molokeev M. S., Atuchin V. V., Fang M. H., Huang S. F.
Заглавие : New yellow-emitting whitlockite-type structure Sr1.75Ca 1.25(PO4)2:Eu2+ phosphor for near-UV pumped white light-emitting devices
Место публикации : Inorg. Chem.: American Chemical Society, 2014. - Vol. 53, Is. 10. - P.5129-5135. - ISSN 0020-1669, DOI 10.1021/ic500230v. - ISSN 1520-510X
Примечания : Cited References: 31. - This work was supported by the National Natural Science Foundations of China (Grant Nos. 51032007, 51002146, 51272242), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20130022110006), and the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950). V.V.A. gratefully acknowledges the Ministry of Education and Science of the Russian Federation for the financial support. S.H. would like to acknowledge the China Scholarship Council (CSC) for providing a doctoral scholarship for his Ph.D. study at the University of Auckland.
Предметные рубрики: LUMINESCENCE PROPERTIES
CRYSTAL-STRUCTURE
RED PHOSPHOR
DIODES
LEDS
SR
CA
ORTHOPHOSPHATE
CA-3(PO4)2
EUROPIUM
Аннотация: New compound discovery is of interest in the field of inorganic solid-state chemistry. In this work, a whitlockite-type structure Sr1.75Ca1.25(PO4)2 newly found by composition design in the Sr3(PO4)2–Ca3(PO4)2 join was reported. Crystal structure and luminescence properties of Sr1.75Ca1.25(PO4)2:Eu2+ were investigated, and the yellow-emitting phosphor was further employed in fabricating near-ultraviolet-pumped white light-emitting diodes (w-LEDs). The structure and crystallographic site occupancy of Eu2+ in the host were identified via X-ray powder diffraction refinement using Rietveld method. The Sr1.75Ca1.25(PO4)2:Eu2+ phosphors absorb in the UV–vis spectral region of 250–430 nm and exhibit an intense asymmetric broadband emission peaking at 518 nm under λex = 365 nm which is ascribed to the 5d–4f allowed transition of Eu2+. The luminescence properties and mechanism are also investigated as a function of Eu2+ concentration. A white LED device which is obtained by combining a 370 nm UV chip with commercial blue phosphor and the present yellow phosphor has been fabricated and exhibit good application properties.
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10.

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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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ji H. P., Huang Z. H., Xia, Zhiguo, Molokeev M. S., Atuchin V. V., Huang S. F.
Заглавие : Cation substitution dependent bimodal photoluminescence in whitlockite structural Ca3-xSrx(PO4)2:Eu2+ (0 ≤ x ≤ 2) solid solution phosphors
Место публикации : Inorg. Chem.: American Chemical Society, 2014. - Vol. 53, Is. 20. - P.11119-11124. - ISSN 0020-1669, DOI 10.1021/ic501679f. - ISSN 1520-510X
Примечания : Cited References: 37. - This work was supported by the National Natural Science Foundations of China (Grant Nos. 51032007, 51002146, 51272242), the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20130022110006), the 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). V.V.A. acknowledges the Ministry of Education and Science of the Russian Federation for financial support.
Предметные рубрики: LIGHT-EMITTING-DIODES
EFFICIENT ENERGY-TRANSFER
EMISSION-TUNABLE PHOSPHOR
EXCITED WHITE LEDS
CRYSTAL-STRUCTURE
LUMINESCENCE PROPERTIES
Mn2+ PHOSPHOR
COLOR TONE
PHASE
Eu2+
Аннотация: Cation substitution dependent tunable bimodal photoluminescence behavior was observed in the Ca3-xSrx(PO4)2:Eu2+ (0 ≤ x ≤ 2) solid solution phosphors. The Rietveld refinements verified the phase purity and whitlockite type crystal structure of the solid solutions. The tunable photoluminescence evolution was studied as a function of strontium content, over the composition range 0.1 ≤ x ≤ 2. In addition to the emission band peak at 416 nm in Ca3(PO4)2:Eu2+, the substitution of Ca2+ by Sr2+ induced the emerging broad-band peak at 493-532 nm. A dramatic red shift of the emission peak located in the green-yellow region was observed on an increase of x in the samples with 0.75 ≤ x ≤ 2.00. The two emission bands could be related to the EuOn-Ca9 and EuOn-Ca9-xSrx emitting blocks, respectively. The values for the two kinds of emitting blocks in the solid solutions can be fitted well with the observed intensity evolution of the two emission peaks.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Khyzhun O. Y., Chimitova O. D., Molokeev M. S., Gavrilova T. A., Bazarov B. G., Bazarova J. G.
Заглавие : Electronic structure of β-RbNd(MoO4)2 by XPS and XES
Коллективы : Ministry of Education and Science of the Russian Federation; RFBR [12-02-90806-mol_rf_nr]
Место публикации : J. Phys. Chem. Solids. - 2015. - Vol. 77. - P.101-108. - ISSN 0022-3697, DOI 10.1016/j.jpcs.2014.09.012
Примечания : Cited References: 52. - This study was partially supported by the Ministry of Education and Science of the Russian Federation and RFBR Grant 12-02-90806-mol_rf_nr.
Предметные рубрики: RAY-EMISSION-SPECTROSCOPY
CRYSTAL-STRUCTURE
PHOTOELECTRON-SPECTROSCOPY
LUMINESCENCE PROPERTIES
VIBRATIONAL PROPERTIES
PHOTOEMISSION SPECTRA
OPTICAL-PROPERTIES
TERNARY MOLYBDATE
AB-INITIO
SYSTEM
Ключевые слова (''Своб.индексиров.''): inorganic compounds--chemical synthesis--photoelectron spectroscopy--x-ray diffraction--electronic structure
Аннотация: β-RbNd(MoO4)2 microplates have been prepared by the multistage solid state synthesis method. The phase composition and micromorphology of the final product have been evaluated by XRD and SEM methods. The electronic structure of β-RbNd(MoO4)2 molybdate has been studied employing the X-ray photoelectron spectroscopy (XPS) and X-ray emission spectroscopy (XES). For the molybdate, the XPS core-level and valence-band spectra, as well as XES bands representing energy distribution of the Mo 4d- and O 2p-like states, have been measured. It has been established that the O 2p-like states contribute mainly to the upper portion of the valence band with also significant contributions throughout the whole valence-band region. The Mo 4d-like states contribute mainly to a lower valence band portion
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Wang Z. Y., Xia, Zhiguo, Molokeev M. S., Atuchin V. V., Liu Q. L.
Заглавие : Blue-shift of Eu2+ emission in (Ba,Sr)3Lu(PO4)3:Eu2+ eulytite solid-solution phosphors resulting from release of neighbouring-cation-induced stress
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2014. - Vol. 43, Is. 44. - P.16800-16804. - ISSN 1477-9226, DOI 10.1039/c4dt02319f. - ISSN 1477-9234
Примечания : Cited References: 16. - The present work was supported by the National Natural Science Foundations of China (grant no. 51002146, no. 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in the University of the Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), Beijing Youth Excellent Talent Program (YETP0635) and the Funds of the State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University (KF201306). V.V.A. is partly supported by the Ministry of Education and Science of the Russian Federation.
Предметные рубрики: TUNABLE COLOR TONE
EXCITED WHITE LEDS
CRYSTAL-STRUCTURE
TEMPERATURE
IONS
Аннотация: A series of iso-structural eulytite-type (Ba,Sr)(3)Lu(PO4)(3):Eu2+ solid-solution phosphors with different Sr/Ba ratios were synthesized by a solid-state reaction. Crystal structures of (Ba,Sr)(3)Lu(PO4)(3):Eu2+ were resolved by the Rietveld method, which shows an eulytite-type cubic Bi-4(SiO4)(3) structure with cations disordered in a single C-3 site while the oxygen atoms were distributed over two partially occupied sites. The emission peaks of Ba(3-x)SrxLu(PO4)(3):Eu2+ (0
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Molokeev M. S., Misjul S. V., Flerov I. N., Laptash N. M.
Заглавие : Reconstructive phase transition in (NH4)3TiF7 accompanied by the ordering of TiF6 octahedra
Место публикации : Acta Crystallogr. B: Wiley-Blackwell, 2014. - Vol. 70. - P.924-931. - ISSN 0108-7681, DOI 10.1107/S2052520614021192. - ISSN 1600-5740
Примечания : This study was supported by Russian Fund of Basic Research, project No. 12-02-00056 a
Предметные рубрики: CRYSTAL-STRUCTURE
NEUTRON-DIFFRACTION
POWDER DIFFRACTION
FLUORIDES
DISORDER
MECHANISM
PATHWAYS
COMPLEX
LI3THF7
ALPHA
Ключевые слова (''Своб.индексиров.''): 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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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Aleksandrov K. S., Tressaud A., Grannec J., Couzi M.
Заглавие : Phase transitions in elpasolites (ordered perovskites)
Место публикации : Materials Science and Engineering R: Reports. - 1998. - Vol. 24, Is. 3. - P.81-151. - ISSN 0927-796X
Примечания : Cited References: 174
Предметные рубрики: ELASTIC NEUTRON-DIFFRACTION
MII = CO
RAMAN-SCATTERING
THERMODYNAMIC PROPERTIES
CRYSTAL-STRUCTURE
SINGLE-CRYSTALS
RB2KMIIIF6 ELPASOLITES
CUBIC PEROVSKITES
TEMPERATURE FORM
HIGH-RESOLUTION
Ключевые слова (''Своб.индексиров.''): crystal atomic structure--crystal growth--crystal lattices--crystallization--crystallography--ferroelectricity--hydrostatic pressure--order disorder transitions--single crystals--thermodynamics--elpasolites--landau theory--perovskite
Аннотация: Many compounds with general chemical formula A2BB?X6 and with tolerance factor value t < 1 crystallize in the elpasolite (ordered perovskite) structure. Different preparative methods have been considered. For example, the Bridgman technique is the most suitable method of growing single crystals of halogenated elpasolites with monoatomic cations. Group-theory and symmetry analyses have allowed us to build a scheme of possible structural distortions connected with octahedral rotations and displacements of ions. Experimental observations have proven that ferroelastic phase transitions occurring most frequently in elpasolites are due to small octahedra tilts. Quantitative analysis allows the possibility of describing these transitions in the framework of the thermodynamic Landau theory. Hydrostatic pressure and the substitution of atoms in different crystallographic sites allow to change significantly the succession and the temperature of phase transitions. The hypothesis of bond stresses is able to predict the possible occurrence of a phase transition for a particular elpasolite and/or the role of the octahedra rotations in the transformation. The mechanism of phase transitions in elpasolites and related compounds has also been considered. One can assume that a displacive mechanism associated with a strong anharmonicity plays a large role in phase transitions occurring in compounds with monoatomic cations. On the other hand, for instance, in cryolites with ammonium cations, the transitions originate from an order-disorder phenomenon. В© 1998 Elsevier Science S.A. All rights reserved.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pogoreltsev E. I., Flerov I. N., Kartashev A. V., Bogdanov E. V., Laptash N. M.
Заглавие : Heat capacity, entropy, dielectric properties and T–p phase diagram of (NH4)3TiF7
Коллективы : Russian Foundation for Basic Research [15-02-02009]; 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. 168. - P.247-250. - ISSN 0022-1139, DOI 10.1016/j.jfluchem.2014.10.016. - ISSN 1873-3328
Примечания : Cited References: 16. - This work was supported by the Russian Foundation for Basic Research (Grant no. 15-02-02009), 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
TRANSITIONS
FLUORIDES
NH4F
Ключевые слова (''Своб.индексиров.''): cubic fluorides--phase transitions--dielectric--phase diagram--calorimetry
Аннотация: Successive phase transitions G1 -- G2 -- G3 in the double salt (NH4)(3)TiF7 have been studied by detailed calorimetric, DTA under hydrostatic pressure and dielectric measurements. Rather large entropy jumps at phase transition points were found to be followed by large additional contributions associated with the temperature dependence of the excess heat capacity. The permittivity behaviour and the tangent of the dielectric losses proved the nonferroelectric nature of both transformations. Two triple-points were found on the temperature-pressure phase diagram, suggesting the existence of a hypothetical parent G0 = Pm-3m cubic phase. A direct transformation between high (G0) and low (G3) temperature cubic phases takes place at p 0.41 GPa with a baric coefficient dT(G0) -- (G3)/dp = -40 K/GPa. (C) 2014 Elsevier B.V. All rights reserved.
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17.

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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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Aleksandrovsky A. S., Chimitova O. D., Diao C. P., Gavrilova T. A., Kesler V. G., Molokeev M. S., Krylov A. S., Bazarov B. G., Bazarova J. G., Lin Z. S.
Заглавие : Electronic structure of β-RbSm(MoO4)2 and chemical bonding in molybdates
Коллективы : Ministry of Education and Science of the Russian Federation; National Natural Science Foundation of China [11174297, 11474292]; National Basic Research Project of China [2011CB922204]; Foundation of the Director of Technical Institute of Physics and Chemistry, CAS; RAS [24-29]; RFBR [13-02-00825]
Разночтения заглавия :. в WoS: Electronic structure of beta-RbSm(MoO4)2 and chemical bonding in molybdates
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2015. - Vol. 44, Is. 4. - P.1805-1815. - ISSN 1477-9226, DOI 10.1039/c4dt03203a. - ISSN 1477-9234
Примечания : Cited References: 121. - VVA and ASA gratefully acknowledge the Ministry of Education and Science of the Russian Federation for financial support. ZL acknowledges the support by National Natural Science Foundation of China (11174297 and 11474292), the National Basic Research Project of China (2011CB922204), and Foundation of the Director of Technical Institute of Physics and Chemistry, CAS. The work was partially supported by RAS Project 24-29 and RFBR Grant 13-02-00825.
Предметные рубрики: RAY PHOTOELECTRON-SPECTROSCOPY
CRYSTAL-STRUCTURE
X-RAY
NEUTRON-DIFFRACTION
MAGNETIC-PROPERTIES
PHASE-FORMATION
CORE LEVELS
2ND-HARMONIC GENERATION
LUMINESCENCE PROPERTIES
VIBRATIONAL PROPERTIES
Аннотация: Microcrystals of orthorhombic rubidium samarium molybdate, beta-RbSm(MoO4)(2), have been fabricated by solid state synthesis at T = 450 degrees C, 70 h, and at T = 600 degrees C, 150 h. The crystal structure has been refined by the Rietveld method in space group Pbcn with cell parameters a = 5.0984(2), b = 18.9742(6) and c = 8.0449(3) angstrom (R-B = 1.72%). Thermal properties of beta-RbSm(MoO4)(2) were traced by DSC over the temperature range of T = 20-965 degrees C, and the earlier reported β ↔ α phase transition at T similar to 860-910 degrees C was not verified. The electronic structure of beta-RbSm(MoO4) 2 was studied by employing theoretical calculations and X-ray photoelectron spectroscopy. It has been established that the O 2p-like states contribute mainly to the upper part of the valence band and occupy the valence band maximum, whereas the Mo 4d-like states contribute mainly to the lower part of the valence band. Chemical bonding effects have been analysed from the element core level binding energy data. In addition, it was found that the luminescence spectrum of beta-RbSm(MoO4)(2) is rather peculiar among the Sm3+ containing materials. The optical refractive index dispersion in beta-RbSm(MoO4)(2) was also predicted by the first-principles calculations.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Goryainov S. V., Krylov A. S., Vtyurin A. N., Pan Y.
Заглавие : Raman study of datolite CaBSiO4(OH) at simultaneously high pressure and high temperature
Коллективы : Russian Foundation for Basic Research [N 14-05-00616, 13-05-00185], Ministry of Education and Science of the Russian Federation
Место публикации : J. Raman Spectrosc.: Wiley-Blackwell, 2015. - Vol. 46, Is. 1. - P.177-181. - ISSN 0377, DOI 10.1002/jrs.4614. - ISSN 10974555(eISSN)
Примечания : Cited References:30. - This work was partly supported by the Russian Foundation for BasicResearch (grants N 14-05-00616 and 13-05-00185) and the Ministry ofEducation and Science of the Russian Federation.
Предметные рубрики: X-RAY-DIFFRACTION
CRYSTAL-STRUCTURE
HYDROGEN-BOND
SPECTROSCOPY
Ключевые слова (''Своб.индексиров.''): raman spectra--datolite--high pressure--high temperature--diamond anvil--cell
Аннотация: Using an in situ method of Raman spectroscopy and resistance-heated diamond anvil cell, the system datolite CaBSiO4(OH) – water has been investigated at simultaneously high pressure and temperature (up to Р ~5 GPa and Т ~250 °С). Two polymorphic transitions have been observed: (1) pressure-induced phase transition or the feature in pressure dependence of Raman band wavenumbers at P = 2 GPа and constant T = 22 °С and (2) heating-induced phase transition at T ~90 °С and P ~5 GPа. The number of Raman bands is retained at the first transition but changed at the second transition. The first transition is mainly distinguished by the changes in the slopes of pressure dependence of Raman peaks at 2 GPa. The second transition is characterized by several strong changes: the wavenumber jumps of major bands, the merging of strong doublets at 378 and 391 cm−1 (values for ambient conditions), the splitting of the intermediate-intensity band at 292 cm−1, and the transformation of some low-wavenumber bands at 160–190 cm−1. No spectral and visual signs of overhydration and amorphization have been observed. No noticeable dissolution of datolite in the water medium occurred at 5 GPa and 250 °С after 3 h, which corresponds to typical conditions of the ‘cold’ zones of slab subduction. Copyright © 2014 John Wiley & Sons, Ltd.
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20.

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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