Optical Properties and Thermal Stability of a Cubic Sulfate Rb2Ca2(SO4)3

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摘要 In this paper, a non-centrosymmetric compound of Rb2Ca2(SO4)3 has been synthesized by a high temperature solid-state reaction and high temperature melting method. Single-crystal X-ray diffraction analysis shows that Rb2Ca2(SO4)3 crystallizes in the cubic space group of P213, and its cell parameters are a = b = c = 10.5569(6) Å, Z = 4 and V = 1176.55(12) Å3, 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 Rb2Ca2(SO4)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.

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	钟晓钰
	吴恩强
	杨生东
	王昊航
	林小馨
	沈耀国

关键词 ： crystal structure, nonlinear optics, solid-state reaction, sulfate

Abstract：In this paper, a non-centrosymmetric compound of Rb2Ca2(SO4)3 has been synthesized by a high temperature solid-state reaction and high temperature melting method. Single-crystal X-ray diffraction analysis shows that Rb2Ca2(SO4)3 crystallizes in the cubic space group of P213, and its cell parameters are a = b = c = 10.5569(6) Å, Z = 4 and V = 1176.55(12) Å3, 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 Rb2Ca2(SO4)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.

Key words： crystal structure nonlinear optics solid-state reaction sulfate

收稿日期: 2020-11-24 出版日期: 2021-07-02

基金资助:This research was supported by the Doctoral Fund (MJY19014), Natural Science Foundation of Fujian Province (2019J01762), and President's Fund (103952020020)

通讯作者: shenyg@mju.edu.cn E-mail: shenyg@mju.edu.cn

引用本文:

钟晓钰;吴恩强;杨生东;王昊航;林小馨;沈耀国. Optical Properties and Thermal Stability of a Cubic Sulfate Rb₂Ca₂(SO₄)₃[J]. 结构化学, 2021, 40(7): 949-954.
ZHONG Xiao-Yu;WU En-Qiang;YANG Sheng-Dong;WANG Hao-Hang;LIN Xiao-Xin;SHEN Yao-Guo. Optical Properties and Thermal Stability of a Cubic Sulfate Rb₂Ca₂(SO₄)₃. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2021, 40(7): 949-954.

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http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2021/V40/I7/949

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