【摘 要】
：
Crystals of sodium tridecafluorodizirconate Na5Zr2F13 were synthesized under mild hydrothermal conditions, and the structure was refined by single-crystal X-ray
【机 构】
：
College of Chemistry and Chemical Engineering,State Key Lab of High Performance Ceramic and Superfin
论文部分内容阅读
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/cm3, λ = 0.71073(A), μ = 23.48 cm-1, F(000) = 504, T = 295 K, R1 = 0.0173 and wR2 = 0.0449 for 55 variables and 682 contributing unique reflections. The crystal structure is constituted with six- and 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 corner-shared [ZrF7]3- are corner- and edge- shared 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.
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