Synthesis, crystal structure, and nonlinear optical properties of Bi2Cu5B4O14

Bi2Cu5B4O14 crystallizes in the noncentrosymmetric triclinic space group P1 (No. 1) with cell parameters a=10.1381(11) Å, b=9.3917(11) Å, c=3.4566(4) Å, α=105.570(2)°, β=92.275(2)°, γ=107.783(2)°, Z=1 and R1=0.0401 and wR2=0.0980. It is a layered structure that is built up from sheets of rectangular CuO4 and trigonal BO3 groups. The sheets are connected by infinite chains of edge shared BiO6 polyhedra that intersect the bc plane at an angle slightly greater than 90°. The second-harmonic generation efficiency of Bi2Cu5B4O14, using 1064 nm radiation, is about one half times that of KH2PO4.