K{sub 3}YB{sub 6}O{sub 12}: A new nonlinear optical crystal with a short UV cutoff edge

Graphical abstract: Display Omitted Highlights: ► A new non-centrosymmetric borate, K{sub 3}YB{sub 6}O{sub 12}, has been synthesized. ► A K{sub 3}YB{sub 6}O{sub 12} crystal with dimensions of ∼40 mm × 30 mm × 10 mm was successfully grown. ► K{sub 3}YB{sub 6}O{sub 12} exhibits a short UV cutoff edge at 195 nm. ► Powder SHG effect of K{sub 3}YB{sub 6}O{sub 12} is weaker than that of KH{sub 2}PO{sub 4} (KDP). -- Abstract: A new non-centrosymmetric borate, K{sub 3}YB{sub 6}O{sub 12}, has been synthesized by solid state reaction techniques, and a K{sub 3}YB{sub 6}O{sub 12} crystal with dimensions of ∼40 mm × 30 mm × 10 mm was successfully grown by the top-seeded solution growth method using a K{sub 2}O–B{sub 2}O{sub 3}–KBF{sub 4} flux. K{sub 3}YB{sub 6}O{sub 12} crystallizes in the trigonal space group R32 with cell parameters of a = 13.2202(19) Å, c = 30.281(6) Å, and Z = 15. In the structure of K{sub 3}YB{sub 6}O{sub 12}, B{sub 5}O{sub 10} groups are bridged by Y{sub 3}O{sub 12} chains and discrete YO{sub 6} octahedra via corner-sharing, constructing columns packed side by side in a hexagonal motif along the c-axis to form a three-dimensional framework. The three-dimensional framework affords one-dimensional tunnelsmore » of 8-membered rings along the b-axis which are occupied by K atoms. K{sub 3}YB{sub 6}O{sub 12} melts incongruently at 941 °C, and exhibits a short UV cutoff edge at 195 nm. The second harmonic generation effect of K{sub 3}YB{sub 6}O{sub 12} is weaker than that of KH{sub 2}PO{sub 4}.« less