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 wit...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.展开更多
基金This study was supported by the Fund from the key project from the NSF of China
文摘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.
