Synthèse, étude et validation structurale d'un triple bis-molybdate en couches, Ag0.60Na0.40Fe(MoO4)2lié à yavapaiite

A new multicationic structurally disordered K5FeHf(MoO4)6 crystal belonging to the molybdate family is synthesized by the two-stage solid state reaction method. The characterization of the electronic and vibrational properties of the K5FeHf(MoO4)6 was performed using density functional theory calculations, group theory, Raman and infrared spectroscopy. The vibrational spectra are dominated by vibrations of the MoO4 tetrahedra, while the lattice modes are observed in a low-wavenumber part of the spectra. The experimental gap in the phonon spectra between 450 and 700 cm−1 is in a good agreement with the simulated phonon density of the states. K5FeHf(MoO4)6 is a paramagnetic down to 4.2 K. The negative Curie–Weiss temperature of −6.7 K indicates dominant antiferromagnetic interactions in the compound. The direct and indirect optical bandgaps of K5FeHf(MoO4)6 are 2.97 and 3.21 eV, respectively. The K5FeHf(MoO4)6 bandgap narrowing, with respect to the variety of known molybdates and the ab initio calculations, is explained by the presence of Mott-Hubbard optical excitation in the system of Fe3+ ions.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Synthèse, étude et validation structurale d'un triple bis-molybdate en couches, Ag_0.60Na_0.40Fe(MoO₄)₂lié à yavapaiite

Abstract: The structure of the title compound consists of a three-dimensional structure made of corner-sharing FeO6 octahedra and MoO4 tetrahedra with Ag/Na cations occupying the same site in the polyhedral interstitial spaces.

Cited by 2 publications

References 31 publications

ChemInform Abstract: Synthesis, Structural Study and Validation of a Layered Triple‐bis‐molybdate Ag_0.6Na_0.4Fe(MoO₄)₂ Related to Yavapaiite.

ChemInform Abstract: Synthesis, Structural Study and Validation of a Layered Triple‐bis‐molybdate Ag_0.6Na_0.4Fe(MoO₄)₂ Related to Yavapaiite.

Structural, Spectroscopic, Electric and Magnetic Properties of New Trigonal K5FeHf(MoO4)6 Orthomolybdate

Contact Info

Product

Resources

About

Synthèse, étude et validation structurale d'un triple bis-molybdate en couches, Ag0.60Na0.40Fe(MoO4)2lié à yavapaiite

Abstract: The structure of the title compound consists of a three-dimensional structure made of corner-sharing FeO6 octa­hedra and MoO4 tetra­hedra with Ag/Na cations occupying the same site in the polyhedral inter­stitial spaces.

Cited by 2 publications

References 31 publications

ChemInform Abstract: Synthesis, Structural Study and Validation of a Layered Triple‐bis‐molybdate Ag0.6Na0.4Fe(MoO4)2 Related to Yavapaiite.

ChemInform Abstract: Synthesis, Structural Study and Validation of a Layered Triple‐bis‐molybdate Ag0.6Na0.4Fe(MoO4)2 Related to Yavapaiite.

Structural, Spectroscopic, Electric and Magnetic Properties of New Trigonal K5FeHf(MoO4)6 Orthomolybdate

Contact Info

Product

Resources

About

Synthèse, étude et validation structurale d'un triple bis-molybdate en couches, Ag_0.60Na_0.40Fe(MoO₄)₂lié à yavapaiite

Abstract: The structure of the title compound consists of a three-dimensional structure made of corner-sharing FeO6 octahedra and MoO4 tetrahedra with Ag/Na cations occupying the same site in the polyhedral interstitial spaces.

ChemInform Abstract: Synthesis, Structural Study and Validation of a Layered Triple‐bis‐molybdate Ag_0.6Na_0.4Fe(MoO₄)₂ Related to Yavapaiite.

ChemInform Abstract: Synthesis, Structural Study and Validation of a Layered Triple‐bis‐molybdate Ag_0.6Na_0.4Fe(MoO₄)₂ Related to Yavapaiite.