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Experimental and Theoretical Study of SbPO4 under Compression

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Autor(es):
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de Jesus Pereira, Andre Luis [1, 2] ; Santamaria-Perez, David [3] ; Vilaplana, Rosario [4] ; Errandonea, Daniel [3] ; Popescu, Catalin [5] ; Lora da Silva, Estelina [1] ; Angel Sans, Juan [1] ; Rodriguez-Carvajal, Juan [6] ; Munoz, Alfonso [7] ; Rodriguez-Hernandez, Placida [7] ; Mujica, Andres [7] ; Elena Radescu, Silvana [7] ; Beltran, Armando [8] ; Otero-de-la-Roza, Alberto [9] ; Nalin, Marcelo [10] ; Mollar, Miguel [1] ; Javier Manjon, Francisco [1]
Número total de Autores: 17
Afiliação do(s) autor(es):
[1] Univ Politecn Valencia, MALTA Consolider Team, Inst Diseno Fabricac & Prod Automatizada, Valencia - Spain
[2] Fundacao Univ Fed Grande Dourados, Grp Pesquisa Mat Foton & Energia Renovavel MaFER, Dourados, MS - Brazil
[3] Univ Valencia, MALTA Consolider Team, Dept Fis Aplicada ICMUV, Burjassot - Spain
[4] Univ Politecn Valencia, MALTA Consolider Team, Ctr Tecnol Fis, E-46022 Valencia - Spain
[5] CELLS ALBA Synchrotron Light Facil, Barcelona 08290 - Spain
[6] Inst Laue Langevin, 71 Ave Martyrs, CS 20156, F-38042 Grenoble 9 - France
[7] Univ La Laguna, MALTA Consolider Team, Inst Mat & Nanotecnol, Dept Fis, Tenerife - Spain
[8] Univ Jaume 1, MALTA Consolider Team, Dept Quim Fis & Analit, Castellon de La Plana - Spain
[9] Univ Oviedo, MALTA Consolider Team, Dept Quim Fis & Analit, E-33006 Oviedo - Spain
[10] Univ Estadual Paulista, Inst Quim, Dept Quim Geral & Inorgan, Campus Araraquara, Sao Paulo - Brazil
Número total de Afiliações: 10
Tipo de documento: Artigo Científico
Fonte: Inorganic Chemistry; v. 59, n. 1, p. 287-307, JAN 6 2020.
Citações Web of Science: 0
Resumo

SbPO4 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 SbO 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 SbPO4 at high pressure. We show that SbPO4 is not only one of the most compressible phosphates but also one of the most compressible compounds of the ABO(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 SbPO4 can aid to improve the ion intercalation and catalytic properties of this layered compound. (AU)

Processo FAPESP: 13/07793-6 - CEPIV - Centro de Ensino, Pesquisa e Inovação em Vidros
Beneficiário:Edgar Dutra Zanotto
Linha de fomento: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs