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Synthesis, Crystal Structure, and Optical Properties of the First Alkali Metal Rare-Earth Iodate Fluoride: Li2Ce(IO3)4F2
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2020-03-11 , DOI: 10.1021/acs.cgd.9b01677 Changcheng Tang 1, 2 , Xingxing Jiang 1 , Shu Guo 1 , Ruixin Guo 1, 2 , Lijuan Liu 1 , Mingjun Xia 1 , Qian Huang 3 , Zheshuai Lin 1, 2 , Xiaoyang Wang 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2020-03-11 , DOI: 10.1021/acs.cgd.9b01677 Changcheng Tang 1, 2 , Xingxing Jiang 1 , Shu Guo 1 , Ruixin Guo 1, 2 , Lijuan Liu 1 , Mingjun Xia 1 , Qian Huang 3 , Zheshuai Lin 1, 2 , Xiaoyang Wang 1
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The first alkali metal rare-earth iodate fluoride, Li2Ce(IO3)4F2, was synthesized using a hydrothermal method. This compound features a novel [CeI4O12F2]∞ infinite layer with each [CeO6F2] dodecahedron connected to six parallel umbrella-like [IO3] groups. Each layer is connected by [Li2I2O8F2] rings to form a condensed 3D structure. The first-principles calculations indicate that Li2Ce(IO3)4F2 possesses moderate birefringence (Δn = 0.054, λ = 589 nm), which is mainly originated from the umbrella-like [IO3] group and the [CeO6F2] polyhedrons. Li2Ce(IO3)4F2 is possibly a birefringence crystal for visible light.
中文翻译：
第一种碱金属稀土碘酸盐氟化物：Li 2 Ce（IO 3）4 F 2的合成，晶体结构和光学性质
使用水热法合成了第一碱金属碘酸稀土氟化物Li 2 Ce（IO 3）4 F 2。该化合物具有新颖的[CeI 4 O 12 F 2 ] ∞无限层，每个[CeO 6 F 2 ]十二面体连接到六个平行的伞状[IO 3 ]基团。每层通过[Li 2 I 2 O 8 F 2 ]环连接以形成稠密的3D结构。第一性原理计算表明Li 2 Ce（IO 3）4 F 2具有中等双折射（Δn = 0.054，λ= 589 nm），其主要起源于伞状[IO 3 ]组和[CeO 6 F 2 ]多面体。Li 2 Ce（IO 3）4 F 2可能是可见光的双折射晶体。
更新日期：2020-04-23
中文翻译：
第一种碱金属稀土碘酸盐氟化物：Li 2 Ce（IO 3）4 F 2的合成，晶体结构和光学性质
使用水热法合成了第一碱金属碘酸稀土氟化物Li 2 Ce（IO 3）4 F 2。该化合物具有新颖的[CeI 4 O 12 F 2 ] ∞无限层，每个[CeO 6 F 2 ]十二面体连接到六个平行的伞状[IO 3 ]基团。每层通过[Li 2 I 2 O 8 F 2 ]环连接以形成稠密的3D结构。第一性原理计算表明Li 2 Ce（IO 3）4 F 2具有中等双折射（Δn = 0.054，λ= 589 nm），其主要起源于伞状[IO 3 ]组和[CeO 6 F 2 ]多面体。Li 2 Ce（IO 3）4 F 2可能是可见光的双折射晶体。
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