文摘
Two new phosphates—Csb>6b>Mgb>6b>(POb>3b>)b>18b> (CMP) and Csb>2b>MgZnb>2b>(Pb>2b>Ob>7b>)b>2b> (CMZP)—have been obtained, using high-temperature molten methods. Crystals of CMP with the polar P2b>1b> space group display a new three-dimensional (3D) anionic framework possessing two one-dimensional (1D) [POb>3b>]b>∞b> chains that are interconnected by isolated MgOb>6b> octahedra, while CMZP with centrosymmetric monoclinic space group P2b>1b>/c possesses a new [MgZnb>2b>Pb>4b>Ob>20b>]14– structure unit consisting of two isolated Pb>2b>Ob>7b> dimers, one ZnOb>4b>, and two disordered Mg/ZnOb>4b> tetrahedral units. The polar phosphate CMP with deep-UV transparency (below 190 nm) shows weak second harmonic generation (SHG) response (0.1 × KDP), and the dipole moment analysis suggests that the weak SHG response mostly originates from much distorted CsOb>nb> polyhedron. Some related properties, such as optics, thermostability, and band structure derived from density functional theory, were explored.