Citation: Xiao-Yu ZHONG, En-Qiang WU, Sheng-Dong YANG, Hao-Hang WANG, Xiao-Xin LIN, Yao-Guo SHEN. Optical Properties and Thermal Stability of a Cubic Sulfate Rb₂Ca₂(SO₄)₃[J]. Chinese Journal of Structural Chemistry, ;2021, 40(7): 949-954. doi: 10.14102/j.cnki.0254–5861.2011–3047 shu

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

College of Physics & Electronic Information Engineering, Minjiang University, Fuzhou 350108, China

Corresponding author: Yao-Guo SHEN, shenyg@mju.edu.cn
Received Date: 23 November 2020
Accepted Date: 4 January 2021

Fund Project: the Doctoral Fund MJY19014Natural Science Foundation of Fujian Province 2019J01762President's Fund 103952020020

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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.
- crystal structure,
- nonlinear optics,
- solid-state reaction,
- sulfate
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Optical Properties and Thermal Stability of a Cubic Sulfate Rb₂Ca₂(SO₄)₃