Synthesis, crystal structure, fluorescent and thermal properties of sodium tridecafluorodizirconate Na5Zr2F13 compound

Abstract

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: M-r = 544.39, C2/m (No.12), a = 11.5600(9), b = 5.4759(4), c = 8.3989(6) angstrom, beta = 97.361 (10)degrees, V = 527.28(7) angstrom(3), Z = 2, D-c = 3.429 g/cm(3), lambda = 0.71073 angstrom, mu = 23.48 cm(-1), F(000) = 504, T = 295 K, R-1 = 0.0173 and wR(2) = 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.