Nonlinear optical (NLO) crystal BaZnBO3F (BZBF) with the size of about 20×20×0.5 mm3 is obtained from BaF2–NaF flux, and single crystal X-ray diffraction reveals that it belongs to space group P View the MathML source with cell parameters of a=5.1045(6) ?, c=4.3116(10) ? and Z=1. In the structure of BZBF, the BO3 planar triangles are interconnected through O atoms from ZnO3F2 trigonal bipyramid to form (Zn3B3O6F6) twelve-membered rings (12-MRs), then the layers which are built with condensation from 12-MRs at ab plane, are further linked by the apical F from ZnO3F2 to form three dimensional framework along the c direction. The title crystal exhibits high transmittance in the range of 300–3000 nm with a UV transmission cutoff at 223 nm according to transmission spectra. Powder SHG tests indicate that the effective NLO coefficient of BZBF crystal is about 2.8 times that of KH2PO4 (KDP) crystal due to perfect alignment of the BO3 groups.

Journal of Solid State Chemistry,2015

Nonlinear optical crystal BaZnBO3F containing (ZnBO3F)2? layers formed by planar triangle BO3 and trigonal bipyramidal ZnO3F2 groups, shows a UV transmission cutoff at 223 nm and large NLO effective coefficient (2.8 deffKDP) due to perfect alignment of the BO3 groups.