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• W3040882272 abstract "Metal iodates with large polarizability have long been overlooked as potential birefringent materials. By introducing highly coordinated Ba- and La-based MOnClm polyhedra into an iodate system, we present herein five birefringent materials of metal iodate chlorides, namely, Ba(IO3)Cl (1), Ba(IO3)Cl(H2O) (2), Ba7(IO3)5Cl9 (3), La(IO3)2Cl (4), and La2(IO3)5Cl (5), which exhibit diversified structures with diverse MxCly and Mx(IO3)y structural motifs and tunable birefringence. In 1, high coordinate Ba ions are respectively linked by iodates and chlorides to form two-dimensional (2D) cationic [Ba(IO3)]n and three-dimensional (3D) open [BaCl]n structural motifs that are fused together to finish a 3D dense structure. Compared with 1, Ba ions in 2 are bridged by water molecules into dimers that are linked by chlorides into 2D [BaCl(H2O)]n double layers, which are further linked by iodates into a 3D framework. In 3, eight Ba ions and four chlorides form a [Ba8Cl61] cube, and adjacent cubes are diagonally corner-shared to form a [Ba7Cl6]n chain that is attached by additional chlorides to achieve anionic [Ba7Cl9]n chains. Adjacent [Ba7Cl9]n chains are bridged by iodates into a 3D framework. 4 exhibits a 3D framework alternately composed of [La3(IO3)6]n sandwich-type triple layers and [LaCl2] zigzag chains. High coordinate La ions in 5, with LaO9 and LaO8Cl coordination geometries, are linked by iodates into a complicated 3D framework containing La–O chains of edge-shared LaO9 polyhedra. Theoretical calculations indicate that 1 and 2 possess larger birefringences of 0.118 and 0.106, while 4 and 5 have smaller values of 0.038 and 0.045 at 1064 nm, which is contrary to unit volume density of IO3 groups but can be rationalized by spatial orientation of IO3 groups. Band structure calculations indicate that IO3 groups and Cl– determine the optical properties of these compounds." @default.
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• W3040882272 date "2020-07-07" @default.
• W3040882272 modified "2023-10-14" @default.
• W3040882272 title "High Coordinate Metal Iodate Chlorides with Diverse Structural Motifs and Tunable Birefringence" @default.
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• W3040882272 doi "https://doi.org/10.1021/acs.cgd.0c00682" @default.
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