Author, as appears in the article.: Mokni, Ines; Badri, Abdessalem; Slimi, Sami; Omri, Karim; Sole, Rosa Maria; Aguilo, Magdalena; Diaz, Francesc; Mateos, Xavier; Ben Amara, Mongi
Department: Química Física i Inorgànica
URV's Author/s: Aguiló Díaz, Magdalena / Díaz González, Francisco Manuel / Mateos Ferré, Xavier / Solé Cartañà, Rosa Maria
Keywords: Optical properties Layered structure Electronic structure Crystal-structure Complex phosphates optical properties na mossbauer-spectroscopy layered structure hydration electronic structure chemistry aluminophosphates
Abstract: A novel phosphate compound - potassium magnesium-aluminum double phosphate with chemical formula KMgAl(PO4)2 - has been synthesized. Platelet-shaped single crystals have been grown from the flux using K2Mo2O7 as a solvent. The powder form has been obtained through a sol-gel reaction. It has been characterized by X-ray diffraction, differential thermal analysis, vibrational spectroscopy and electronic structure calculations. KMgAl(PO4)2 crystallizes in the trigonal centrosymmetric space group P3¯m1 (No. 164) with unit cell parameters a = b = 5.347(1) Å, c = 7.903(10) Å, γ = 120° (Z = 1). The main characteristic of the crystal is the two-dimensional (2D) lamellar framework formed by Mg|AlO4 and PO4 tetrahedrons sharing their vertices of oxygen atoms, with the K+ cations located within the interlayer space. The sample morphology and chemical composition were revealed by the scanning electron microscopy – energy-dispersive X-ray spectroscopy analysis. The IR spectroscopy of KMgAl(PO4)2 confirmed the existence of a single PO4 group in agreement with the structural study. A relatively large indirect band gap of 3.86 eV was determined.
Thematic Areas: Spectroscopy Química Organic chemistry Medicina ii Medicina i Materiais Interdisciplinar Inorganic chemistry Geociências Farmacia Ensino Engenharias iv Engenharias iii Engenharias ii Engenharias i Enfermagem Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Ciência de alimentos Ciência da computação Chemistry, physical Biotecnología Biodiversidade Astronomia / física Analytical chemistry
licence for use: https://creativecommons.org/licenses/by/3.0/es/
Author's mail: magdalena.aguilo@urv.cat rosam.sole@urv.cat xavier.mateos@urv.cat f.diaz@urv.cat
Author identifier: 0000-0001-6130-9579 0000-0002-5769-4141 0000-0003-1940-1990 0000-0003-4581-4967
Record's date: 2025-03-15
Paper version: info:eu-repo/semantics/acceptedVersion
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Paper original source: Journal Of Molecular Structure. 1248 131535-
APA: Mokni, Ines; Badri, Abdessalem; Slimi, Sami; Omri, Karim; Sole, Rosa Maria; Aguilo, Magdalena; Diaz, Francesc; Mateos, Xavier; Ben Amara, Mongi (2022). Synthesis and characterization of a novel alkali mixed magnesium-aluminum phosphate with a layered structure–KMgAl(PO4)2. Journal Of Molecular Structure, 1248(), 131535-. DOI: 10.1016/j.molstruc.2021.131535
Entity: Universitat Rovira i Virgili
Journal publication year: 2022
Publication Type: Journal Publications
Repositori URV