In this paper,a non-centrosymmetric compound of Rb_(2)Ca_(2)(SO_(4))_(3)has been synthesized by a high temperature solid-state reaction and high temperature melting method.Single-crystal X-ray diffraction analysis sho...In this paper,a non-centrosymmetric compound of Rb_(2)Ca_(2)(SO_(4))_(3)has been synthesized by a high temperature solid-state reaction and high temperature melting method.Single-crystal X-ray diffraction analysis shows that Rb_(2)Ca_(2)(SO_(4))_(3)crystallizes in the cubic space group of P2_(1)3,and its cell parameters are a=b=c=10.5569(6)Å,Z=4 and V=1176.55(12)Å^(3),respectively.In the crystal structure,SO4 tetrahedra and CaO6 octahedra are connected with each other by a corner-sharing mode to construct the three-dimensional framework of Rb_(2)Ca_(2)(SO_(4))_(3).Optical measurements show that the title compound has a short ultraviolet absorption edge and a moderate second-harmonic generation response.The optical origin is illustrated by the electron band structure calculation.In addition,thermal stability is also studied by virtue of differential thermal/thermogravimetric analysis and powder XRD technique.展开更多
基金the Doctoral Fund(MJY19014)Natural Science Foundation of Fujian Province(2019J01762)President's Fund(103952020020)。
文摘In this paper,a non-centrosymmetric compound of Rb_(2)Ca_(2)(SO_(4))_(3)has been synthesized by a high temperature solid-state reaction and high temperature melting method.Single-crystal X-ray diffraction analysis shows that Rb_(2)Ca_(2)(SO_(4))_(3)crystallizes in the cubic space group of P2_(1)3,and its cell parameters are a=b=c=10.5569(6)Å,Z=4 and V=1176.55(12)Å^(3),respectively.In the crystal structure,SO4 tetrahedra and CaO6 octahedra are connected with each other by a corner-sharing mode to construct the three-dimensional framework of Rb_(2)Ca_(2)(SO_(4))_(3).Optical measurements show that the title compound has a short ultraviolet absorption edge and a moderate second-harmonic generation response.The optical origin is illustrated by the electron band structure calculation.In addition,thermal stability is also studied by virtue of differential thermal/thermogravimetric analysis and powder XRD technique.
