The Crystal Growth and Properties of Novel Magnetic Double Molybdate RbFe5(MoO4)(7) with Mixed Fe3+/Fe2+ States and 1D Negative Thermal Expansion Научная публикация
Журнал |
CrystEngComm
ISSN: 1466-8033 |
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Вых. Данные | Год: 2021, Том: 23, Номер: 18, Страницы: 3297–3307 Страниц : 11 DOI: 10.1039/d1ce00118c | ||||||||||||||||||
Ключевые слова | Argon; Crystal growth; Crystal symmetry; Density functional theory; Differential scanning calorimetry; Electronic structure; Energy dispersive spectroscopy; Hydraulic structures; Molybdenum compounds; Negative thermal expansion; Paramagnetism; Particle size; Particle size analysis; Reliability analysis; Rubidium compounds; Scanning electron microscopy; Single crystals; Solid state reactions; Thermal expansion; X ray photoelectron spectroscopy | ||||||||||||||||||
Авторы |
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Организации |
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Информация о финансировании (4)
1 | German Academic Exchange Service | A-13-00078 |
2 | Министерство науки и высшего образования Российской Федерации | 0273-2021-0008 |
3 | Российский научный фонд | 21-19-00046 |
4 | Federal Ministry for Economic Affairs and Energy | 03ET6017 |
Реферат:
Single crystals of new compound RbFe5(MoO4)(7) were successfully grown by the flux method, and their crystal structure was determined using the X-ray single-crystal diffraction technique. The XRD analysis showed that the compound crystallizes in the monoclinic space group P2(1)/m, with unit cell parameters a = 6.8987(4), b = 21.2912(12) and c = 8.6833(5) angstrom, beta = 102.1896(18)degrees, V = 1246.66(12) angstrom(3), Z (molecule number in the unit cell) = 2, R-factor (reliability factor) = 0.0166, and T = 293(2) K. Raman spectra were collected on the single crystal to show the local symmetry of MoO4 tetrahedra, after the confirmation of crystal composition using energy dispersive X-ray spectroscopy (EDS). The polycrystalline samples were synthesized by a solid-state reaction in the Ar atmosphere; the particle size and thermal stability were investigated by scanning electron microscopy (SEM) and differential scanning calorimetry (DSC) analyses. The compound decomposes above 1073 K in an Ar atmosphere with the formation of Fe(iii) molybdate. The thermal expansion coefficient along the c direction has the value alpha = -1.3 ppm K-1 over the temperature range of 298-473 K. Magnetic measurements revealed two maxima in the magnetization below 20 K, and paramagnetic behavior above 50 K with the calculated paramagnetic moment of 12.7 mu B per formula unit is in good agreement with the presence of 3Fe(3+) and 2Fe(2+) in the high-spin (HS) state. The electronic structure of RbFe5(MoO4)(7) is comparatively evaluated using X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) calculations.
Библиографическая ссылка:
Chimitova O.D.
, Bazarov B.G.
, Bazarova J.G.
, Atuchin V.V.
, Azmi R.
, Sarapulova A.E.
, Mikhailova D.
, Balachandran G.
, Fiedler A.
, Geckle U.
, Prots Y.
, Komarek A.C.
, Gavrilova T.A.
, Prosvirin I.P.
, Yang Y.
, Lin Z.
, Knapp M.
, Ehrenberg H.
The Crystal Growth and Properties of Novel Magnetic Double Molybdate RbFe5(MoO4)(7) with Mixed Fe3+/Fe2+ States and 1D Negative Thermal Expansion
CrystEngComm. 2021. V.23. N18. P.3297–3307. DOI: 10.1039/d1ce00118c WOS Scopus РИНЦ
The Crystal Growth and Properties of Novel Magnetic Double Molybdate RbFe5(MoO4)(7) with Mixed Fe3+/Fe2+ States and 1D Negative Thermal Expansion
CrystEngComm. 2021. V.23. N18. P.3297–3307. DOI: 10.1039/d1ce00118c WOS Scopus РИНЦ
Файлы:
Полный текст от издателя
Даты:
Поступила в редакцию: | 25 янв. 2021 г. |
Принята к публикации: | 24 мар. 2021 г. |
Опубликована online: | 25 мар. 2021 г. |
Опубликована в печати: | 14 мая 2021 г. |
Идентификаторы БД:
Web of science | WOS:000640248800001 |
Scopus | 2-s2.0-85105592369 |
РИНЦ | 46053718 |
Chemical Abstracts | 2021:720814 |
OpenAlex | W3149337342 |