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

1 INTRODUCTION Considerable research effort on the heavy metal fluoride glasses like barium, zirconium fluoride and a series of rare-earth fluorozirconate compounds du- ring the last two decades was initiated by the broad optical transmission window of these glasses and thereby the potential for ultralow-loss optical fi- bers1~10]. The fluorozirconate of alkali metals was first reported in 193811], and most of the sodium and potassium fluorozirconates were reported amongthe 1940s and 19…

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

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.