Two Indium Sulfate Tellurites: Centrosymmetric In2 (SO4 )(TeO3 )(OH)2 (H2 O) and Non-centrosymmetric In3 (SO4 )(TeO3 )2 F3 (H2 O)

Inorganic Chemistry
Ya-Ping GongFang Kong

Abstract

Two new indium sulfate tellurites, namely, In2(SO4)(TeO3)(OH)2(H2O) and In3(SO4)(TeO3)2F3(H2O), were synthesized by hydrothermal method in a one-pot reaction. Their pure phase yields have been successfully optimized to 76% and 21%, respectively. In2(SO4)(TeO3)(OH)2(H2O) crystallized in centrosymmetric (CS) space group P21/n, while In3(SO4)(TeO3)2F3(H2O) formed a non-centrosymmetric (NCS) and chiral space group P212121. The CS compound features a 2D layered structure composed of 2D indium oxide layers decorated by sulfate tetrahedra and tellurite groups. The NCS compound displays a 3D network consisting of indium tellurite layers bridged by sulfate tetrahedra. Powder second harmonic generation measurements disclosed that In3(SO4)(TeO3)2F3(H2O) exhibits a weak frequency-doubling efficiency about 11% of the commercial KDP. Its powder laser damage threshold quantity was estimated to be 79.6 MW/cm2, which is about 36 times that of AGS. The two samples present wide optical band gaps of 4.86 and 4.10 eV, respectively, which were determined by Te, In, and O atoms based on density functional theory calculations.

References

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Jan 15, 2019·Chemistry : a European Journal·Ya-Ping GongJiang-Gao Mao
Feb 23, 2019·Journal of the American Chemical Society·Yanqiang LiJunhua Luo

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