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Lone-Pair Enhanced Birefringence in an Alkaline-Earth Metal Tin(II) Phosphate BaSn2(PO4)2 |
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| Authors: | Yi Yang Yi Qiu Dr Pifu Gong Dr Lei Kang Gaomin Song Xiaomeng Liu Prof Junliang Sun Prof Zheshuai Lin |
| Institution: | 1. Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology, of the Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 P. R. China
University of the Chinese Academy of Sciences, Beijing, 100049 P. R. China These authors contributed equally to this work.;2. College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China These authors contributed equally to this work.;3. Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology, of the Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 P. R. China;4. Beijing Center for Crystal R&D, Key Lab of Functional Crystals and Laser Technology, of the Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190 P. R. China University of the Chinese Academy of Sciences, Beijing, 100049 P. R. China;5. College of Chemistry and Molecular Engineering, Peking University, Beijing, 100871 P. R. China |
| Abstract: | The first alkaline-earth metal tin(II) phosphate, BaSn2(PO4)2, has been discovered, which consists of layered structures constructed from strictly alternating SnO3]4− and PO4]3− moieties. This compound is expected to have a large birefringence with Δn≈0.071 at 1064 nm, owing to the presence of stereochemically active lone pair metal cations. |
| Keywords: | birefringence crystal first-principles calculations lone pair electrons tin(II) phosphates |