Experimental and Theoretical Study of SbPO 4 under Compression.

Autor: Pereira ALJ; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team , Universitat Politècnica de València , València , Spain.; Grupo de Pesquisa de Materiais Fotonicos e Energia Renovável-MaFER , Universidade Federal da Grande Dourados , Dourados , Mato Grosso do Sul , Brazil., Santamaría-Pérez D; Departament de Física Aplicada-ICMUV, MALTA Consolider Team , Universitat de València , Burjassot , Spain., Vilaplana R; Centro de Tecnologías Físicas, MALTA Consolider Team , Universitat Politecnica de València , València 46022 , Spain., Errandonea D; Departament de Física Aplicada-ICMUV, MALTA Consolider Team , Universitat de València , Burjassot , Spain., Popescu C; CELLS-ALBA Synchrotron Light Facility , 08290 Cerdanyola, Barcelona , Spain., da Silva EL; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team , Universitat Politècnica de València , València , Spain., Sans JA; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team , Universitat Politècnica de València , València , Spain., Rodríguez-Carvajal J; Institut Laue-Langevin , 71 Avenue des Martyrs , CS 20156, 38042 Grenoble Cedex 9 , France., Muñoz A; Departamento de Física, Instituto de Materiales y Nanotecnología, MALTA Consolider Team , Universidad de La Laguna , Tenerife , Spain., Rodríguez-Hernández P; Departamento de Física, Instituto de Materiales y Nanotecnología, MALTA Consolider Team , Universidad de La Laguna , Tenerife , Spain., Mujica A; Departamento de Física, Instituto de Materiales y Nanotecnología, MALTA Consolider Team , Universidad de La Laguna , Tenerife , Spain., Radescu SE; Departamento de Física, Instituto de Materiales y Nanotecnología, MALTA Consolider Team , Universidad de La Laguna , Tenerife , Spain., Beltrán A; Departament de Química Física i Analítica, MALTA Consolider Team , Universitat Jaume I , Castelló , Spain., Otero-de-la-Roza A; Departamento de Química Física y Analítica, MALTA Consolider Team , Universidad de Oviedo , 33006 Oviedo , Spain., Nalin M; Instituto de Quimica, Departamento de Química Geral e Inorgânica , UNESP-Campus de Araraquara , São Paulo , Brazil., Mollar M; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team , Universitat Politècnica de València , València , Spain., Manjón FJ; Instituto de Diseño para la Fabricación y Producción Automatizada, MALTA Consolider Team , Universitat Politècnica de València , València , Spain.
Jazyk: angličtina
Zdroj: Inorganic chemistry [Inorg Chem] 2020 Jan 06; Vol. 59 (1), pp. 287-307. Date of Electronic Publication: 2019 Dec 26.
DOI: 10.1021/acs.inorgchem.9b02268
Abstrakt: SbPO 4 is a complex monoclinic layered material characterized by a strong activity of the nonbonding lone electron pair (LEP) of Sb. The strong cation LEP leads to the formation of layers piled up along the a axis and linked by weak Sb-O electrostatic interactions. In fact, Sb has 4-fold coordination with O similarly to what occurs with the P-O coordination, despite the large difference in ionic radii and electronegativity between both elements. Here we report a joint experimental and theoretical study of the structural and vibrational properties of SbPO 4 at high pressure. We show that SbPO 4 is not only one of the most compressible phosphates but also one of the most compressible compounds of the AB O 4 family. Moreover, it has a considerable anisotropic compression behavior, with the largest compression occurring along a direction close to the a axis and governed by the compression of the LEP and the weak interlayer Sb-O bonds. The strong compression along the a axis leads to a subtle modification of the monoclinic crystal structure above 3 GPa, leading from a 2D to a 3D material. Moreover, the onset of a reversible pressure-induced phase transition is observed above 9 GPa, which is completed above 20 GPa. We propose that the high-pressure phase is a triclinic distortion of the original monoclinic phase. The understanding of the compression mechanism of SbPO 4 can aid to improve the ion intercalation and catalytic properties of this layered compound.
Databáze: MEDLINE
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