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    Crystal structure, spectroscopic and thermal properties of the coordination compounds M(1,3-diethyl-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+ / M. S. Molokeev [et al.] // Polyhedron. - 2015. - Vol. 98. - P. 113-119, DOI 10.1016/j.poly.2015.05.048. - Cited References: 43. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation for research engineering of the Siberian Federal University in 2015. V.V.A. is grateful to the Ministry of Education and Science of the Russian Federation for financial support of the investigation. . - ISSN 0277-5387
   Перевод заглавия: Кристаллическая структура, спектроскопические и тепловые свойства координационных соединений M(1,3-diethyl-2-thiobarbiturate) M = Rb+, Cs+, Tl+ and NH4+

РУБ Chemistry, Inorganic & Nuclear + Crystallography
Рубрики:
2-THIOBARBITURIC ACID
   THIOBARBITURIC ACID
   1,3-DIETHYL-2-THIOBARBITURIC ACID
   HYDROGEN-BOND
   COMPLEXES
   DIFFRACTION
   CHEMISTRY
   NETWORKS
   LIGAND
   SERIES
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid -- Alkali ion thallium(I) and ammonium cations -- Coordination compounds -- Thermal analysis -- X-ray diffraction
Аннотация: Four new compounds of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, Hdetba) with Rb+, Cs+, Tl+ and NH4+ ions were prepared by Hdetba neutralization with the metal carbonates or ammonium hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray diffraction techniques, differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The coordination compounds of MDetba with M = Rb, Cs and Tl crystallize in the orthorhombic space group P212121, but compound NH4Detba crystallizes in the triclinic space group P1¯. The MDetba structures were compared at the molecular and supramolecular levels. The Detba- ion in the NH4+ compound forms conformer (A) with two diethyl groups on one side of the ion ring, whereas the Detba- ion in the Rb(I), Cs(I) and Tl(I) compounds forms conformer (B) with two diethyl groups on different sides of the ring. The results of IR spectroscopy and thermal analysis are consistent with the X-ray data. © 2015 Elsevier Ltd.

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Держатели документа:
Laboratory of Crystal Physics, Kirensky Institute of Physics, SB RAS, bld. 38 Akademgorodok 50, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Serysheva Str., Khabarovsk, Russian Federation
Department of Chemistry, Siberian Federal University, 79 Svobodny Aven., Krasnoyarsk, Russian Federation
Institute of Chemistry and Chemical Technology, SB RAS, bld. 24 Akademgorodok 50, Krasnoyarsk, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, 13 Lavrentiev Aven., Novosibirsk, Russian Federation
Functional Electronics Laboratory, Tomsk State University, 36 Lenin Aven., Tomsk, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, 2 Pirogov Str., Novosibirsk, Russian Federation

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovnev, N. N.; Головнёв, Николай Николаевич; Vereshchagin, S. N.; Верещагин С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич
}
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Golovnev, N. N.
Crystal structure of thallium(I) 2-thiobarbiturate / N. N. Golovnev, M. S. Molokeev // Russ. J. Inorg. Chem. - 2016. - Vol. 61, Is. 4. - P. 442-446, DOI 10.1134/S0036023616040100. - Cited References:25. - This work was performed in the Siberian Federal University within the Government task of the Ministry of Education and Science of the Russian Federation for 2014-2016 (project no. 3049). . - ISSN 0036-0236. - ISSN 1531-8613

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
Thiobarbituric acid-derivatives
Cation
Аннотация: The crystal and molecular structures of thallium(I) thiobarbiturate C4H3N2O2STl (C4H4N2O2S is 2-thiobarbituric acid, Н2ТВА) have been determined. Crystallographic data for Tl(НТВА) are a = 11.2414(7) Å, b = 3.8444(3) Å, с = 14.8381(9) Å, β = 99.452(2)°, V = 649.00(7) Å3, space group P2/с, Z = 4. Each of the two independent thallium ions is bonded to four oxygen and two sulfur atoms to form a distorted tetrahedron. N‒H…O and C‒H…S hydrogen bonds form a branched three-dimensional network. The structure is also stabilized by π‒π interaction between heterocyclic НТВА- ions. The IR spectra of Tl(НТВА) agree with X-ray powder diffraction data. The compound is also stable below 280°C, and Tl2SO4 is one of the thermolysis products in an oxidative medium in the region of 500‒650°C.

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Публикация на русском языке Головнев Н. Н. Кристаллическая структура 2-тиобарбитурата таллия(I) [Текст] / Н. Н. Головнев, М. С. Молокеев // Журн. неорг. химии : Наука, 2016. - Т. 61 № 4. - С. 463-467

Держатели документа:
Siberian Fed Univ, Svobodnyi Pr 79, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Akademgorodok 50-38, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Ul Serysheva 47, Khbarovsk 680021, Russia.

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Siberian Federal University within Government task of the Ministry of Education and Science of the Russian Federation [3049]
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    Golovnev, N. N.
    Three isomers in a (hydrogen L-Cysteinato)-thallium(I): Crystal structure, spectroscopic and thermal properties / N. N. Golovnev, M. S. Molokeev, M. K. Lesnikov // Polyhedron. - 2019. - Vol. 173. - Ст. 114141, DOI 10.1016/j.poly.2019.114141. - Cited References: 37. - The study was carried out within the public task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University (4.7666.2017/BP) in 2017–2019. X-ray data from single crystals and powder pattern were obtained with use the analytical equipment of Krasnoyarsk Center of collective use of SB RAS. . - ISSN 0277-5387
   Перевод заглавия: Три изомера в (H L-цистеин)-таллии(I): кристаллическая структура, спектроскопические и термические свойства
Кл.слова (ненормированные):
Cysteine -- Thallium -- Complex -- Isomers -- Structre
Аннотация: The isolation of thallium(I) complexes [Tl2(HCys)2]n (1) and [Tl4(HCys)4]n (2) {H2Cys = l-Cysteine} from aqueous solution by means of crystallization is reported herein. Polar crystals of 1 and 2 were crystallized in P21 and P212121 space groups respectively. Elemental analysis, XRD, IR, UV–Vis, TG-DSC and a single crystal X-ray diffraction were applied for characterizing the compounds. Linkage isomers 1 and 2 have 1D and 2D coordination polymeric structures respectively. The lone pair electrons of thallium(I) in 1–2 are stereo-chemically active. In 1, each of two independent Tl+ ions is coordinated by three HCys− ions forming TlS3O irregular polyhedron that is linked to each other by vertexes in an infinite chain. In 2, four independent Tl+ ions are coordinated by HCys− ions through S and O atoms, forming Tl1S3O2, Tl2S4, Tl3S3, Tl4S3 irregular polyhedrons. The crystallographic independent HCys− ions are linked to the metal ion differently, two are μ3-S,S,S-, one is μ4-O,S,S,S-, and one is μ4-O,O',S,S,S-coordinated ligands. The amine group of compounds 1 and 2 is in the form of an ammonium ion (–NH3+). The structures of 1–2 are stabilized by NH⋯O hydrogen bonds, thallophilic Tl⋯Tl and anagostic Tl⋯HC interactions. The spectroscopic and thermal properties of compounds were analyzed.

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Держатели документа:
Department of Chemistry, Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, 660041, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Bld. 38 Akademgorodok 50, Krasnoyarsk, 660036, Russian Federation
Department of Engineering Physics and Radioelectronic, Siberian Federal University, 79 Svobodny Ave., Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, 47 Seryshev Str., Khabarovsk, 680021, Russian Federation

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.
}
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    Thallium ionic conductivity of new thallium indium hafnium molybdate ceramics / V. G. Grossman, J. G. Bazarova, M. S. Molokeev, B. G. Bazarov // Ionics. - 2020. - Vol. 26. - P. 6157-6165, DOI 10.1007/s11581-020-03739-7. - 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 . - ISSN 0947-7047. - ISSN 1862-0760
   Перевод заглавия: Таллий-ионная проводимость новой керамики на основе таллия, индия, гафния, молибдата

РУБ Chemistry, Physical + Electrochemistry + Physics, Condensed Matter
Рубрики:
POSITIVE ELECTRODE MATERIAL
CRYSTAL-STRUCTURE
TRIPLE MOLYBDATE
Кл.слова (ненормированные):
Synthesis -- Thallium -- Molybdates -- Phase diagram -- DSC -- Conducting material
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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Держатели документа:
Russian Acad Sci, Baikal Inst Nat Management, Siberian Branch, Sakhyanovoy St 6, Ulan Ude 670047, Buryat Republic, Russia.
Russian Acad Sci, Fed Res Ctr KSC, Kirensky Inst Phys, Siberian Branch, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, 82 Svobodniy Av, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Grossman, Victoria G.; Bazarova, J. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarov, B. G.; RFBRRussian Foundation for Basic Research (RFBR) [0339-2016-0007]; [18-08-00799]; [18-03-00557]
}
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    Potassium and thallium conductors with a trigonal structure in the M2MoO4–Cr2(MoO4)3–Hf(MoO4)2 (M = K, Tl) systems: Synthesis, structure, and ionic conductivity / V. G. Grossman, M. S. Molokeev, B. G. Bazarov, J. G. Bazarova // J. Alloys Compd. - 2021. - Vol. 873. - Ст. 159828, DOI 10.1016/j.jallcom.2021.159828. - Cited References: 62. - The work was supported by Basic Project of BINM SB RAS № 0273-2021-0008 . Research was conducted using equipment of the CCU BINM SB RAS (Ulan-Ude, Russia). Structural analysis of materials in this study was partly supported by the Research Grant No. 075-15-2019-1886 from the Government of the Russian Federation . - ISSN 0925-8388
   Перевод заглавия: Калиевые и таллиевые проводники с тригональной структурой в системах M2MoO4-Cr2(MoO4)3–Hf(MoO4)2 (M = K, Tl): синтез, структура и ионная проводимость
Кл.слова (ненормированные):
Synthesis -- Thallium -- Potassium -- Molybdates -- Phase diagram -- DSC -- Conducting material
Аннотация: The triple molybdates M5CrHf(MoO4)6 (M = K, Tl) and TlCrHf0.5(MoO4)3 were found upon studying the corresponding ternary molybdate systems M2MoO4–Cr2(MoO4)3–Hf(MoO4)2 (M = K, Tl) in the subsolidus region using X-ray powder diffraction. The crystal structures of M5CrHf(MoO4)6 (M = K, Tl) and TlCrHf0.5(MoO4)3 are refined by Rietveld method. M5CrHf(MoO4)6 (M = K, Tl) crystallizes in space group Rc with unit cell parameters: a = b = 10.45548 (5), c = 37.24614 (3) Å, V = 3526.14 (4) Å3, Z = 6 for K5CrHf(MoO4)6 and a = b = 10.53406 (12), c = 37.6837 (5) Å, V = 3621.39 (9) Å3, Z = 6 for Tl5CrHf(MoO4)6. TlCrHf0.5(MoO4)3 crystallizes in space group R with unit cell parameters: a = b = 12.9710 (2), c = 11.7825 (2) Å, V = 1716.78 (6) Å3, Z = 6. The thermal stability and electrical conductivity of the new compounds were investigated. Electrical conductivity measurements gave high values for the triple molybdates M5CrHf(MoO4)6 (M = K, Tl) (σ = 5.22 × 10−4 S / cm for K5CrHf(MoO4)6, σ = 1.1 × 10−2 S / cm for Tl5CrHf(MoO4)6 at 773 K) and relatively low values for the triple molybdate TlCrHf0.5(MoO4)3 (σ = 4.42 × 10−6 S / cm at 773 K).

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Держатели документа:
Baikal Institute of Nature Management, SB RAS, Sakhyanovoy St., 6, Ulan-Ude, 670047, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC, Siberian Branch, Academy of Sciences, 50/38 Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, 82 Svobodniy Av., Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Serysheva str. 47, Khabarovsk, 680021, Russian Federation

Доп.точки доступа:
Grossman, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarov, B. G.; Bazarova, J. G.
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    Structural, thermal and electrical studies of thallium-scandium-hafnium(zirconium) molybdates / V. G. Grossman, M. S. Molokeev, J. G. Bazarova [et al.] // J. Solid State Chem. - 2022. - Vol. 307. - Ст. 122832, DOI 10.1016/j.jssc.2021.122832. - Cited References: 56. - The work was supported by Basic Project of BINM SB RAS N degrees 0273-2021-0008. Research was conducted using equipment of the CCU BINM SB RAS. Structural analysis of materials in this study was partly sup-ported by the Research Grant No. 075-15-2019-1886 from the Government of the Russian Federation . - ISSN 0022-4596. - ISSN 1095-726X
   Перевод заглавия: Структурные, термические и электрические исследования молибдатов таллия-скандия-гафния(циркония)

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
POSITIVE ELECTRODE MATERIAL
CRYSTAL-STRUCTURE
IONIC-CONDUCTIVITY
Кл.слова (ненормированные):
Synthesis -- Scandium -- Thallium -- Molybdates -- Impedance spectroscopy -- Conducting material
Аннотация: Thallium scandium hafnium molybdate Tl5ScHf(MoO4)6 and thallium scandium zirconium molybdate Tl5ScZr(MoO4)6 crystallize in trigonal symmetry with the space group . The compounds are synthesized by sintering the finely powdered simple molybdates mixture in a muffle furnace at 723–823 K for 100 h. The crystal structures of Tl5ScHf(MoO4)6 and Tl5ScZr(MoO4)6 are obtained by Rietveld method. The following unit cell parameters are calculated for Tl5ScHf(MoO4)6: a = 10.62338 (5), c = 38.0579 (2) Å, V = 3719.64 (4) Å3, Z = 6 and for Tl5ScZr(MoO4)6: a = 10.63216 (7), c = 38.0716 (3) Å, V = 3727.14 (5) Å3, Z = 6. The conductivity of the Tl5ScHf(MoO4)6 and Tl5ScZr(MoO4)6 are measured between 293 and 860 K. The ionic conductivity of Tl5ScHf(MoO4)6 and Tl5ScZr(MoO4)6 molybdates are 8 × 10−4 S/cm and 8 × 10−3 S/cm (at 773 K); the activation energy of ionic transfer are 0.8 eV and 0.3 eV respectively.

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Держатели документа:
SB RAS, Baikal Inst Nat Management, Sakhyanovoy St 6, Ulan Ude 670047, Russia.
Acad Sci, Fed Res Ctr KSC, Kirensky Inst Phys, Siberian Branch, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
Russian Acad Sci, Fed Sci Res Ctr Crystallog & Photon, Shubnikov Inst Crystallog, Moscow 119333, Russia.

Доп.точки доступа:
Grossman, Victoria G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarova, Jibzema G.; Bazarov, Bair G.; Sorokin, Nikolay, I; Basic Project of BINM SB RAS [0273-2021-0008]; Government of the Russian Federation [075-15-2019-1886]
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    High ionic conductivity of K5-xTlx(Mg0.5Hf1.5)(MoO4)6 (0 ≤ х ≤ 5) solid solutions / V. G. Grossman, M. S. Molokeev, J. G. Bazarova, B. G. Bazarov // Solid State Sci. - 2022. - Vol. 134. - Ст. 107027, DOI 10.1016/j.solidstatesciences.2022.107027. - Cited References: 39. - The work was supported by Basic Project of BINM SB RAS №0273-2021-0008. Structural analysis of materials in this study was partly supported by the Research Grant No. 075-15-2019-1886 from the Government of the Russian Federation . X-ray powder diffraction and thermal analysis were obtained using the equipment of the Collective Use Center BINM SB RAS . - ISSN 1293-2558
   Перевод заглавия: Высокая ионная проводимость твердых растворов K5-xTlx(Mg0.5Hf1.5)(MoO4)6 (0 ≤ х ≤ 5)
Кл.слова (ненормированные):
Synthesis -- Thallium -- Potassium -- Molybdates -- DSC -- Conducting material
Аннотация: Novel K5-xTlx(Mg0.5Hf1.5)(MoO4)6 (0 ≤ х ≤ 5) oxides were successfully synthesized by solid state reaction. The results indicate the formation of a continuous series of solid solutions with the NASICON-like structure (sp. gr. R3¯c) in the composition range 0 < x < 5. The unit-cell parameters of the solid solutions increase linearly with composition, as a consequence of thallium substitution for potassium. The cation conductivity of Tl5Mg0.5Hf1.5(MoO4)6 has been shown to exceed the conductivity of the parent potassium magnesium hafnium molybdate. The highest total conductivity of 2.49 × 10−3 S/cm was found at 831 K for Tl5Mg0.5Hf1.5(MoO4)6.

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Держатели документа:
Baikal Institute of Nature Management, SB RAS, Sakhyanovoy St., 6, Ulan-Ude, 670047, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC, Siberian Branch, Academy of Sciences, 50 / 38 Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, 82 Svobodniy Av., Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Serysheva str. 47, Khabarovsk, 680021, Russian Federation

Доп.точки доступа:
Grossman, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarova, J. G.; Bazarov, B. G.
}
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    Synthesis and characterization of a new magnesium molybdates Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) with a langbeinite type structure / V. G. Grossman, M. S. Molokeev, B. G. Bazarov, J. G. Bazarova // Solid State Sci. - 2023. - Vol. 142. - Ст. 107249, DOI 10.1016/j.solidstatesciences.2023.107249. - Cited References: 39. - This work was supported by the state order of BINM SB RAS (0273-2021-0008). Research was conducted using equipment of the CCU BINM SB RAS. Some experiments were obtained with use the analytical equipment of analytical equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS”. M.S. Molokeev's work was carried out within the framework of the Strategic Academic Leadership Program “Priority-2030″ for the Siberian Federal University . - ISSN 1293-2558. - ISSN 1873-3085
   Перевод заглавия: Синтез и характеризация новых молибдатов магния Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) со структурой типа лангбейнита
Кл.слова (ненормированные):
Solid state method -- Langbeinite -- Thallium -- Impedance spectroscopy
Аннотация: In this work we have successfully synthesized pure phases of Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) langbeinite powders using the solid-state reaction method. Structural characterization was carried out via the Rietveld method on the X-ray powder diffraction data. The following unit cell parameters are calculated for Tl1.85K0.15Mg2(MoO4)3: a = 10.68509(16) A, V = 1219.93(6) A3, and for Tl1.85Rb0.15Mg2(MoO4)3: a = 10.69463(9) A, V = 1223.20(3) A3. The electrical conductivity was studied by impedance spectroscopy in the [473–1010 K] temperature range and results show that the Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) were ionic solid electrolyte conductors. Results also show that Tl1.85K0.15Mg2(MoO4)3 has the highest electrical conductivity.

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Держатели документа:
Baikal Institute of Nature Management, SB RAS, Sakhyanovoy St., 6, Ulan-Ude, 670047, Russia
Kirensky Institute of Physics, Federal Research Center KSC, Siberian Branch, Academy of Sciences, 50 / 38 Akademgorodok, Krasnoyarsk, 660036, Russia
Siberian Federal University, 82 Svobodniy Av., Krasnoyarsk, 660041, Russia
Department of Physics, Far Eastern State Transport University, Serysheva Str. 47, Khabarovsk, 680021, Russia

Доп.точки доступа:
Grossman, Victoria G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarov, Bair G.; Bazarova, Jibzema G.
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