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MBaYB6O12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges

Abstract

Two new rare-earth borates, MBaYB6O12 (M = Rb, Cs), which are the first reported compounds in M2O-BaO-RE2O3-B2O3 (M = Rb, Cs; RE = rare-earth) quaternary systems, have been discovered through high-tempreture solution method and their structures determined by single crystal X-ray diffraction. The two compounds are isostructural with the centersymmetric space group R"3" @#x0305; (no. 148) and the fundamental building blocks are the B3O6 groups which are nearly parallel to each other. The spectral measurement shows that the cutoff edges of the two compounds are all down to deep-ultraviolet (deep-UV) region (below 200 nm). And the experimental birefringence of RbBaYB6O12 and RbBaYB6O12 are about 0.12 at 589 nm. Moreover, first-principle theoretical studies were carried out to get better understandings of the structure-property relationships. The calculation results demonstate that both compounds have large birefringence of 0.100 at 589 nm, which corresponds to the experimental value. Both experimental and theoretical studies suggest that MBaYB6O12 (M = Rb, Cs) are potential birefringent materials for UV and deep-UV applications.

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Publication details

The article was received on 08 Nov 2017, accepted on 30 Nov 2017 and first published on 30 Nov 2017


Article type: Paper
DOI: 10.1039/C7DT04223J
Citation: Dalton Trans., 2017, Accepted Manuscript
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    MBaYB6O12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges

    X. Chen, F. Zhang, Y. Shi, Y. Sun, Z. Yang and S. Pan, Dalton Trans., 2017, Accepted Manuscript , DOI: 10.1039/C7DT04223J

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