/ S. A. Basova, M. S. Molokeev, A. S. Oreshonkov [et al.]> // Inorganics. - 2023. -
Vol. 11,
Is. 11. - Ст. 434,
DOI 10.3390/inorganics11110434. - Cited References: 58. - The work was partly carried out within the framework of the Strategic Academic Leadership Program “Priority-2030” for the Kazan Federal University and the state assignment of the Kirensky Institute of Physics. - We acknowledge Lisa-Marie Wagner (JLU Giessen) for help with X-ray powder diffractometry, and Svetlana Volkova and Irina Palamarchuk (UTMN) for help with IR- and UV-spectrometry. The use of equipment provided by the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” is acknowledged
. - ISSN 2304-6740
Аннотация: A new polymorphic modification of lanthanum sulfate was obtained by thermal dehydration of the respective nonahydrate. According to powder X-ray diffraction, it was established that β-La2(SO4)3 crystallized in the C2/c space group of the monoclinic system with the KTh2(PO4)3 structure type (a = 17.6923(9), b = 6.9102(4), c = 8.3990(5) Å, β = 100.321(3)°, and V = 1010.22(9) Å3). Temperature dependency studies of the unit cell parameters indicated almost zero expansion along the a direction in the temperature range of 300–450 K. Presumably, this occurred due to stretching of the [LaO9]n chains along the c direction, which occurred without a significant alteration in the layer thickness over the a direction. A systematic study of the formation and destruction processes of the lanthanum sulfates under heating was carried out. In particular, the decisive impact of the chemical composition and formation energy of compounds on the thermodynamic and kinetic parameters of the processes was established. DFT calculations showed β-La2(SO4)3 to be a dielectric material with a bandgap of more than 6.4 eV. The processing of β-La2(SO4)3 with the Kubelka–Munk function exhibited low values below 6.4 eV, which indicated a fundamental absorption edge above this energy that was consistent with LDA calculations. The Raman and infrared measurements of β-La2(SO4)3 were in accordance with the calculated spectra, indicating that the obtained crystal parameters represented a reliable structure.
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WOS Держатели документа: Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen 625003, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Laboratory of Theory and Optimization of Chemical and Technological Processes, Tyumen State University, Tyumen 625003, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk 660041, Russia
A.M. Butlerov Chemistry Institute, Kazan Federal University, Kazan 420008, Russia
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University Giessen, 35392 Giessen, Germany
Laboratory of Coherent Optics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia
Departement of Science and Innovation, Northern Trans-Ural Agricultural University, Tyumen 625003, Russia
School of Natural Sciences, Tyumen State University, Tyumen 625003, Russia
Center for Materials Research (LaMa), Justus-Liebig-University Giessen, 35392 Giessen, Germany
Construction Institute, Industrial University of Tyumen, Tyumen 625000, Russia
Доп.точки доступа: Basova, S. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Zhernakov, M. A.; Khritokhin, N. A.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Sal’nikova, E. I.; Azarapin, N. O.; Shelpakova, N. A.; Muller-Buschbaum, K.; Denisenko, Yu. G.