Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)2

被引：49

作者：

Chen, Yi-Gang ^{[1
]}

Xing, Mei-Ling ^{[1
]}

Liu, Peng-Fei ^{[3
]}

Guo, Yao ^{[2
]}

Yang, Nan ^{[1
]}

Zhang, Xian-Ming ^{[1
]}

机构：

[1] Shanxi Normal Univ, Sch Chem & Mat Sci, Linfen 041004, Shanxi, Peoples R China

[2] Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China

[3] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China

来源：

INORGANIC CHEMISTRY | 2017年 / 56卷 / 02期

关键词：

NONLINEAR-OPTICAL SUSCEPTIBILITIES; ALKALINE BERYLLIUM BORATE; BOND-VALENCE PARAMETERS; 2ND-HARMONIC GENERATION; CRYSTAL-STRUCTURE; UV; POLYPHOSPHATE; GROWTH; RB; CONDENSATION;

D O I：

10.1021/acs.inorgchem.6b02303

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Two new phosphates-Cs6Mg6(PO3)(18) (CMP) and Cs2MgZn2(P2O7)(2) (CMZP)-have been obtained, using high-temperature molten methods. Crystals of CMP with the polar P2(1) space group display a new three-dimensional (3D) anionic framework possessing two one-dimensional (1D) [PO3](infinity) chains that are interconnected by isolated MgO6 octahedra, while CMZP with centrosymmetric monoclinic space group P2(1)/c possesses a new [MgZn2P4O20](14-) structure unit consisting of two isolated P2O7 dimers, one ZnO4, and two disordered Mg/ZnO4 tetrahedral units. The polar phosphate CMP with deep-UV transparency (below 190 nm) shows weak second harmonic generation (SHG) response (0.1 x KDP), and the dipole moment analysis suggests that the weak SHG response mostly originates from much distorted CsOn polyhedron. Some related properties, such as optics, thermostability, and band structure derived from density functional theory, were explored.

引用

页码：845 / 851

页数：7

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