Synthesis, Crystal Structure, Fluorescent and Thermal Properties of Sodium Tridecafluorodizirconate Na_5Zr_2F_(13) Compound  

作　　者：MAO Shao-Yu KANG You-Jun MI Jin-Xiao LI Man-Rong WEI Zan-Bin WU Xue-Yan ZHAO Jing-Tai 

机构地区：[1]College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China [2]State Key Lab of High Performance Ceramic and Superfine Microstructure, Shanghai Institute of Ceramics, The Chinese Academy of Sciences, Shanghai 200050, China

出　　处：《Chinese Journal of Structural Chemistry》2006年第2期173-179,共7页结构化学（英文）

基　　金：This study was supported by the Fund from the key project from the NSF of China

摘　　要：Crystals of sodium tridecafluorodizirconate Na5Zr2F13 were synthesized under mild hydrothermal conditions, and the structure was refined by single-crystal X-ray diffraction. The compound crystallizes in monoclinic with crystallographic data： Mr = 544.39, C2/m （No. 12）, a = 11.5600（9）, b = 5.4759（4）, c = 8.3989（6） A°, β = 97.361（10）°, V= 527.28（7） A°^3, Z= 2, Dc = 3.429 g/cm^3, 2 = 0.71073A° ,μ = 23.48 cm^-1, F（000） = 504, T= 295 K, Ri = 0.0173 and wR2 = 0.0449 for 55 variables and 682 contributing uniqUe reflections. The crystal structure is constituted with sixand eight-fold sodium atoms, forming irregular trigonal prisms and irregular cubes, respectively. Here, the zirconium atoms are connected with seven fluorine atoms to form a mono-capped trigonal prism. [Zr2F13]^5- complex ions formed by comer-shared [ZrF7]^3- are comer- and edgeshared to [Na4F22] and [Na3F8] cages, leading to the network structure. Thermal analysis, X-ray excited luminescence and photoluminescence under UV light measurements were conducted on Na5Zr2F13 crystals.Crystals of sodium tridecafluorodizirconate Na5Zr2F13 were synthesized under mild hydrothermal conditions, and the structure was refined by single-crystal X-ray diffraction. The compound crystallizes in monoclinic with crystallographic data： Mr = 544.39, C2/m （No. 12）, a = 11.5600（9）, b = 5.4759（4）, c = 8.3989（6） A°, β = 97.361（10）°, V= 527.28（7） A°^3, Z= 2, Dc = 3.429 g/cm^3, 2 = 0.71073A° ,μ = 23.48 cm^-1, F（000） = 504, T= 295 K, Ri = 0.0173 and wR2 = 0.0449 for 55 variables and 682 contributing uniqUe reflections. The crystal structure is constituted with sixand eight-fold sodium atoms, forming irregular trigonal prisms and irregular cubes, respectively. Here, the zirconium atoms are connected with seven fluorine atoms to form a mono-capped trigonal prism. [Zr2F13]^5- complex ions formed by comer-shared [ZrF7]^3- are comer- and edgeshared to [Na4F22] and [Na3F8] cages, leading to the network structure. Thermal analysis, X-ray excited luminescence and photoluminescence under UV light measurements were conducted on Na5Zr2F13 crystals.

关 键 词：sodium tridecafluorodizirconate hydrothermal synthesis crystal structure LUMINESCENT 

分 类 号：O614.412[理学—无机化学]