Four alkali metal molybdates with two types of Mo–O chains, ABMo 3 O 10 (A = Li, B = Rb; A = Li, Na, K, B = Cs): synthesis, structure comparison and optical properties

Three new alkali metal molybdate crystals LiRbMo 3 O 10 , LiCsMo 3 O 10 and KCsMo 3 O 10 have been synthesized, and their structures have been determined by single-crystal X-ray diffraction. LiRbMo 3 O 10 and LiCsMo 3 O 10 are isostructural and crystallize in the orthorhombic space group Pnma , wher...

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Bibliographic Details
Published in:New journal of chemistry 2018, Vol.42 (13), p.10879-10884
Main Authors: Han, Shujuan, Zhang, Bingbing, Tong, Tinghao, Yang, Zhihua, Pan, Shilie
Format: Article
Language:English
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Summary:Three new alkali metal molybdate crystals LiRbMo 3 O 10 , LiCsMo 3 O 10 and KCsMo 3 O 10 have been synthesized, and their structures have been determined by single-crystal X-ray diffraction. LiRbMo 3 O 10 and LiCsMo 3 O 10 are isostructural and crystallize in the orthorhombic space group Pnma , whereas KCsMo 3 O 10 belongs to the space group P 1̄. Moreover, we have also obtained NaCsMo 3 O 10 crystal, and its unit cell dimensions have been previously reported. Crystallographic analysis reveals that NaCsMo 3 O 10 crystallizes in the space group Pnma . The effect of cations size on their framework structures has been discussed in detail. In addition, infrared spectra are used to verify their structural validity. Furthermore, the UV-Vis-NIR diffuse reflectance spectra are also presented. Finally, the first-principle theoretical studies are carried out to increase the understanding of electronic structures and linear optical properties.
ISSN:1144-0546
1369-9261
DOI:10.1039/C8NJ01893F