Abstract: A non-centrosymmetric borate, Bi2ZnB2 O7, has been prepared by solid-state reactions at temperature below 700℃. The single-crystal X-ray structural analysis showed that it crystallizes in the orthorhombic space group Pba2 with a=1.0819(2)nm,b=1.1023(2)nm,c=0.4890(1)nm,Z =4. It has a three dimensional (3D) structure in which [B2O5]4- and[B2O7]8-groups are bridged by [ZnO4]6-tetrahedra through sharing O atoms to form 2D2∞[ZnB2O7]6-layers that are further bridged by Bi3+cations giving rise to the final 3D framework. The IR spectrum confirms the presence of both[BO3]3-and [BO4]5- groups, second-harmonic-generation measurements display a response of about 4 × KDP (KH2PO4), and UV-vis diffuse reflectance spectrum shows an absorption edge at about 360 nm.

Key words: A non-centrosymmetric borate, Bi2ZnB2 O7, has been prepared by solid-state reactions at temperature below 700℃. The single-crystal X-ray structural analysis showed that it crystallizes in the orthorhombic space group Pba2 with a=1.0819(2)nm,b=1.1023(2)nm,c=0.4890(1)nm,Z =4. It has a three dimensional (3D) structure in which [B2O5]4- and[B2O7]8-groups are bridged by [ZnO4]6-tetrahedra through sharing O atoms to form 2D2∞[ZnB2O7]6-layers that are further bridged by Bi3+cations giving rise to the final 3D framework. The IR spectrum confirms the presence of both[BO3]3-and [BO4]5- groups, second-harmonic-generation measurements display a response of about 4 × KDP (KH2PO4), and UV-vis diffuse reflectance spectrum shows an absorption edge at about 360 nm.