AZn4(OH)4(C3N3O3)2 (A = Mg, Zn): Two Zn-Based Cyanurate Crystals with Various Cation Coordination and Large Birefringence.

Abstract

Cyanurate crystals have recently become a research hot spot in birefringent materials owing to the large structural and optical anisotropy of the planar π-conjugated (HxC3N3O3)x-3 (x = 0-3) groups. In this study, two new Zn-based cyanurate crystals, Zn5(OH)4(C3N3O3)2 and MgZn4(OH)4(C3N3O3)2, were synthesized by the hydrothermal method. In Zn5(OH)4(C3N3O3)2, the d10 Zn2+ cations have three different coordinating environments, which has never been found in cyanurates. These compounds have wide band gaps (∼5 eV) and large birefringence (∼0.32 at 400 nm), indicating their potential as ultraviolet birefringence crystals.