Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na<sub>1.5</sub>Mn<sub>3.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sub>3</sub>Fe<sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub>
Na<sub>1.5</sub>Mn<sup>II</sup><sub>3</sub>Mn<sup>III</sup><sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sup>II</sup><sub>3</sub>Fe<sup>III</sup>&l...
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MDPI AG
2023-08-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/13/8/1251 |
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| author | Eya Rezgui Najoua Ouerfelli S. R. Gavinho J. P. F. Carvalho M. P. F. Graça S. Soreto Teixeira |
| author_facet | Eya Rezgui Najoua Ouerfelli S. R. Gavinho J. P. F. Carvalho M. P. F. Graça S. Soreto Teixeira |
| author_sort | Eya Rezgui |
| collection | DOAJ |
| description | Na<sub>1.5</sub>Mn<sup>II</sup><sub>3</sub>Mn<sup>III</sup><sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sup>II</sup><sub>3</sub>Fe<sup>III</sup><sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> compounds were synthesized via a high-temperature solid-state combustion reaction. The obtained samples were submitted to structural, morphological, and electrical characterizations. X-ray diffraction measurements revealed that both compounds crystallize in the monoclinic system with the space group <i>P</i>2<sub>1</sub>/<i>c</i>. The lattice parameters were determined to be <i>a</i> = 6.78344 Å, <i>b</i> = 12.93830 Å, <i>c</i> = 11.22825 Å, and <i>β</i> = 98.5374° for Na<sub>1.5</sub>Mn<sup>II</sup><sub>3</sub>Mn<sup>III</sup><sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub>, and <i>a</i> = 6.76723 Å, <i>b</i> = 12.9864 Å, <i>c</i> = 11.256 Å, and <i>β</i> = 98.8636° for Na<sub>1.5</sub>Mn<sup>2+</sup><sub>3</sub>Fe<sup>3+</sup><sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub>. The structures consist of octahedral Mn<sup>II</sup> and Mn<sup>III</sup> or Fe<sup>III</sup> ions connected by sharing edges, forming infinite chains. These chains are further connected by AsO<sub>4</sub> tetrahedra, resulting in a three-dimensional anionic framework with tunnels parallel to the <i>a</i>-direction and cavities according to the <i>c</i>-direction. The structural models were validated using bond valence and charge distribution analyses. In addition to the structural characterization, the electric results depended on the crystal structures, indicating the potential of the studied materials for being used in several applications. |
| first_indexed | 2024-03-11T00:01:16Z |
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| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-03-11T00:01:16Z |
| publishDate | 2023-08-01 |
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| series | Crystals |
| spelling | doaj.art-57ca91c457204611bfacda0665500ce32023-11-19T00:45:32ZengMDPI AGCrystals2073-43522023-08-01138125110.3390/cryst13081251Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na<sub>1.5</sub>Mn<sub>3.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sub>3</sub>Fe<sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub>Eya Rezgui0Najoua Ouerfelli1S. R. Gavinho2J. P. F. Carvalho3M. P. F. Graça4S. Soreto Teixeira5Laboratory of Materials, Crystallochemistry and Applied Thermodynamics, Faculty of Sciences of Tunis, University of Tunis El Manar, Tunis 1068, TunisiaLaboratory of Materials, Crystallochemistry and Applied Thermodynamics, Faculty of Sciences of Tunis, University of Tunis El Manar, Tunis 1068, Tunisiai3N & Department of Physics, University of Aveiro, 3810-193 Aveiro, Portugali3N & Department of Physics, University of Aveiro, 3810-193 Aveiro, Portugali3N & Department of Physics, University of Aveiro, 3810-193 Aveiro, Portugali3N & Department of Physics, University of Aveiro, 3810-193 Aveiro, PortugalNa<sub>1.5</sub>Mn<sup>II</sup><sub>3</sub>Mn<sup>III</sup><sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sup>II</sup><sub>3</sub>Fe<sup>III</sup><sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> compounds were synthesized via a high-temperature solid-state combustion reaction. The obtained samples were submitted to structural, morphological, and electrical characterizations. X-ray diffraction measurements revealed that both compounds crystallize in the monoclinic system with the space group <i>P</i>2<sub>1</sub>/<i>c</i>. The lattice parameters were determined to be <i>a</i> = 6.78344 Å, <i>b</i> = 12.93830 Å, <i>c</i> = 11.22825 Å, and <i>β</i> = 98.5374° for Na<sub>1.5</sub>Mn<sup>II</sup><sub>3</sub>Mn<sup>III</sup><sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub>, and <i>a</i> = 6.76723 Å, <i>b</i> = 12.9864 Å, <i>c</i> = 11.256 Å, and <i>β</i> = 98.8636° for Na<sub>1.5</sub>Mn<sup>2+</sup><sub>3</sub>Fe<sup>3+</sup><sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub>. The structures consist of octahedral Mn<sup>II</sup> and Mn<sup>III</sup> or Fe<sup>III</sup> ions connected by sharing edges, forming infinite chains. These chains are further connected by AsO<sub>4</sub> tetrahedra, resulting in a three-dimensional anionic framework with tunnels parallel to the <i>a</i>-direction and cavities according to the <i>c</i>-direction. The structural models were validated using bond valence and charge distribution analyses. In addition to the structural characterization, the electric results depended on the crystal structures, indicating the potential of the studied materials for being used in several applications.https://www.mdpi.com/2073-4352/13/8/1251X-ray diffractiontunnel structureelectrical propertieselectric modulus |
| spellingShingle | Eya Rezgui Najoua Ouerfelli S. R. Gavinho J. P. F. Carvalho M. P. F. Graça S. Soreto Teixeira Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na<sub>1.5</sub>Mn<sub>3.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sub>3</sub>Fe<sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> Crystals X-ray diffraction tunnel structure electrical properties electric modulus |
| title | Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na<sub>1.5</sub>Mn<sub>3.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sub>3</sub>Fe<sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> |
| title_full | Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na<sub>1.5</sub>Mn<sub>3.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sub>3</sub>Fe<sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> |
| title_fullStr | Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na<sub>1.5</sub>Mn<sub>3.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sub>3</sub>Fe<sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> |
| title_full_unstemmed | Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na<sub>1.5</sub>Mn<sub>3.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sub>3</sub>Fe<sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> |
| title_short | Crystal Structure, Ionic Conductivity, Dielectric Properties and Electrical Conduction Mechanism of the Wyllieites Na<sub>1.5</sub>Mn<sub>3.5</sub>(AsO<sub>4</sub>)<sub>3</sub> and Na<sub>1.5</sub>Mn<sub>3</sub>Fe<sub>0.5</sub>(AsO<sub>4</sub>)<sub>3</sub> |
| title_sort | crystal structure ionic conductivity dielectric properties and electrical conduction mechanism of the wyllieites na sub 1 5 sub mn sub 3 5 sub aso sub 4 sub sub 3 sub and na sub 1 5 sub mn sub 3 sub fe sub 0 5 sub aso sub 4 sub sub 3 sub |
| topic | X-ray diffraction tunnel structure electrical properties electric modulus |
| url | https://www.mdpi.com/2073-4352/13/8/1251 |
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