Structural Diversity of Molybdate Iodate and Fluoromolybdate: Syntheses, Structures, and Calculations on Na(MoO)(IO) and NaCs(MoOF).

Author(s) Shi, T.; Zhang, F.; Li, Y.; Gao, L.; Yang, Z.; Pan, S.
Journal Inorg Chem
Date Published 2020 Mar 02

The alkali-metal molybdate iodate Na(MoO)(IO) () and mixed-alkali-metal fluoromolybdate NaCs(MoOF) () were obtained via a mild hydrothermal reaction using a "Teflon-pouch" method. crystallizes in the triclinic space group 1, whose structure comprises a 3D backbone made up of isolated [IO] pyramids and [MoO] tetrahedra connected via 5- and 6-fold coordinated sodium cations. crystallizes in the monoclinic space group 2/ and comprises isolated [MoOF] octahedra with strong out-of-center distortions and the Na as well as Cs cations acting as interstitial ions. Both compounds have been characterized by infrared (IR) spectra and ultraviolet-visible-near-infrared (UV-vis-NIR) diffuse reflectance spectra. First-principles calculations respectively reveal that they exhibit birefringence values with Δ = 0.078 and 0.210 at 1064 nm for and , and the origin of the birefringence is discussed.

DOI 10.1021/acs.inorgchem.9b03383
ISSN 1520-510X
Citation Inorg Chem. 2020;59(5):30343041.

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