Synthesis, crystal structure and optical properties of the first bromine-containing iodate: Pb2IO3Br3

被引：0

作者：

Jiang, Bao ^{[1
]}

Zhang, Kewang ^{[2
]}

Yan, Yuchen ^{[2
]}

Zhang, Yanhui ^{[1
]}

Su, Zhi ^{[1
,3
]}

机构：

[1] College of Chemistry and Chemical Engineering, Xinjiang Normal University, Xinjiang, Urumqi,830054, China

[2] School of Physics and Technology, Xinjiang University, Xinjiang, Urumqi,830046, China

[3] College of Energy and Chemical Engineering, Xinjiang Institute of Technology, Xinjiang, Urumqi,830046, China

来源：

Solid State Sciences | 2022年 / 129卷

关键词：

Bromine-containing iodate - Crystals structures - Electronic band structure - Hydrothermal methods - Polycrystalline powders - Space Groups - Synthesised - Three-dimensional networks - X- ray diffractions - X-ray single-crystal diffraction;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The single crystal of Pb2IO3Br3 was successfully synthesized by the hydrothermal method, which is the first case of bromine-containing iodate. The polycrystalline powder of the compound was synthesized and its purity was characterized by X-ray single crystal diffraction. Pb2IO3Br3 crystallized in the space group P 1(—) (No. 2). In the structure of Pb2IO3Br3, the isolated [IO3]- groups are in a reverse arrangement to fill in the tunnels of the three-dimensional network that is composed of [PbBrn] polyhedra. In addition, first-principle calculations have been performed to investigate the relationship between the crystal structure and the optical properties. The result indicates Pb2IO3Br3 possesses a moderate birefringence (Δn = 0.064, λ = 1064 nm), which is mainly originated from the umbrella-like [IO3] groups and the [PbOBr] polyhedra. © 2022 Elsevier Masson SAS

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