Synthesis, Crystal Structure, Fluorescent and Thermal Properties of Sodium Tridecafluorodizirconate Na5Zr2F13 Compound

摘要

cqvip: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 = 97.361(10)o, V = 527.28(7) ?3, Z = 2, Dc = 3.429 g/cm3, ? = 0.71073 ?, ì = 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.