Synthesis, Characterization, and Crystal Structure Determination of a New Lithium Zinc Iodate Polymorph LiZn(IO3)3
1
Laboratoire Physico-Chimie des Matériaux (LPCM), University Amar Telidji of Laghouat, BP 37G, Ghardaïa Road, Laghouat 03000, Algeria
2
Univ. Savoie Mont Blanc, SYMME, F-74000 Annecy, France
3
Laboratoire de caracterisation et Valorisation des Ressources Naturelles, Universite de Bordj Bou-Arreiridj, El-Anasser 34030, Algeria
4
Fundamental and Applied Physics Laboratory - Physics Departement, University of Blida 1, route de Soumaa BP 270, Blida 09000, Algeria
5
Departamento de Física Aplicada - ICMUV - MALTA Consolider Team, Universitat de València, c/Dr. Moliner 50, Burjassot (Valencia) 46100, Spain
*
Author to whom correspondence should be addressed.
Crystals 2019, 9(9), 464; https://doi.org/10.3390/cryst9090464
Received: 5 August 2019 / Revised: 29 August 2019 / Accepted: 1 September 2019 / Published: 4 September 2019
(This article belongs to the Special Issue Polymorphism in Crystals)
Synthesis and characterization of anhydrous LiZn(IO3)3 powders prepared from an aqueous solution are reported. Morphological and compositional analyses were carried out by using scanning electron microscopy and energy-dispersive X-ray measurements. The synthesized powders exhibited a needle-like morphology after annealing at 400 °C. A crystal structure for the synthesized compound was proposed from powder X-ray diffraction and density-functional theory calculations. Rietveld refinements led to a monoclinic structure, which can be described with space group P21, number 4, and unit-cell parameters a = 21.874(9) Å, b = 5.171(2) Å, c = 5.433(2) Å, and = 120.93(4)°. Density-functional theory calculations supported the same crystal structure. Infrared spectra were also collected, and the vibrations associated with the different modes were discussed. The non-centrosymmetric space group determined for this new polymorph of LiZn(IO3)3, the characteristics of its infrared absorption spectrum, and the observed second-harmonic generation suggest it is a promising infrared non-linear optical material.
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Keywords:
iodate; crystal structure; x-ray diffraction; density functional theory; infrared absorption
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MDPI and ACS Style
Hebboul, Z.; Galez, C.; Benbertal, D.; Beauquis, S.; Mugnier, Y.; Benmakhlouf, A.; Bouchenafa, M.; Errandonea, D. Synthesis, Characterization, and Crystal Structure Determination of a New Lithium Zinc Iodate Polymorph LiZn(IO3)3. Crystals 2019, 9, 464.
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