The Crystal Growth and Properties of Novel Magnetic Double Molybdate RbFe5(MoO4)(7) with Mixed Fe3+/Fe2+ States and 1D Negative Thermal Expansion Full article
Journal |
CrystEngComm
ISSN: 1466-8033 |
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Output data | Year: 2021, Volume: 23, Number: 18, Pages: 3297–3307 Pages count : 11 DOI: 10.1039/d1ce00118c | ||||||||||||||||||
Tags | 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 | ||||||||||||||||||
Authors |
|
||||||||||||||||||
Affiliations |
|
Funding (4)
1 | German Academic Exchange Service | A-13-00078 |
2 | Ministry of Science and Higher Education of the Russian Federation | 0273-2021-0008 |
3 | Russian Science Foundation | 21-19-00046 |
4 | Federal Ministry for Economic Affairs and Energy | 03ET6017 |
Abstract:
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.
Cite:
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
Files:
Full text from publisher
Dates:
Submitted: | Jan 25, 2021 |
Accepted: | Mar 24, 2021 |
Published online: | Mar 25, 2021 |
Published print: | May 14, 2021 |
Identifiers:
Web of science | WOS:000640248800001 |
Scopus | 2-s2.0-85105592369 |
Elibrary | 46053718 |
Chemical Abstracts | 2021:720814 |
OpenAlex | W3149337342 |