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MIMIIP3O9 (MI = Rb, MII = Cd, Mg, Ca; MI = Cs, MII = Pb, Sr; MI = K, MII = Mg): Cation Substitution Application in Cyclophosphate Family and Nonlinear Optical Properties
Version 2 2018-05-31, 13:18
Version 1 2018-05-30, 16:49
journal contribution
posted on 2018-05-30, 00:00 authored by Maierhaba Abudoureheman, Xiaobo Pan, Shujuan Han, Yilimiranmu Rouzhahong, Zhihua Yang, Hongping Wu, Shilie PanBy
the application of cation substitution, five new members of cyclophosphates,
RbCdP3O9, CsPbP3O9, CsSrP3O9, RbMgP3O9, and RbCaP3O9, were obtained
by a high-temperature melt method and structurally analyzed. The five
compounds have identical stoichiometries, and all of them feature
a three-dimensional network, which consists of MIIO6 (MII = Cd, Mg, Ca, Pb, Sr) octahedra and cyclic
P3O9 units, while alkali-metal atoms are located
within the network. However, RbCdP3O9 and CsPbP3O9 belong to the asymmetric space groups P6̅c2 and Pna21, respectively, and the other three compounds belong to orthorhombic
space group Pnma. Detailed structure comparisons
in the MI-MII-P-O and (MIMIIP3O9)n (n = 1, 2, 6) systems are discussed. Remarkably, KMgP3O9 as one of the cyclophosphate members exhibits
a second harmonic generation (SHG) intensity about 0.2 times that
of KH2PO4 (KDP), RbCdP3O9, and CsPbP3O9 also show SHG responses 0.1
times that of KDP. In addition, the related optical properties are
discussed. Furthermore, theoretical calculations and dipole moments
were calculated to explain the relation of structure and optical properties.