From Cs8Sb4Nb5O5F35 to Cs6Sb4Mo3O5F26: The first noncentrosymmetric fluoroantimonite with d0 transition metal

Jia-Hang Wu, Bo Zhang, Ting-Kun Jiang, Fang Kong*, Jiang-Gao Mao

Chin. J. Struct. Chem., 2023, 42: 100016   DOI: 10.1016/j.cjsc.2023.100016

January 15, 2023

ABSTRACT

Two new d0 TM fluoroantimonites, namely, Cs8Sb4Nb5O5F35 and Cs6Sb4Mo3O5F26, have been synthesized by hydrothermal reactions. Cs8Sb4Nb5O5F35 features a new 0D CS structure formed by Nb2Sb and NbSb2 trinuclear clusters. When the d0 TM Nb5+ was changed to Mo6+, a new NCS compound, Cs6Sb4Mo3O5F26, was obtained. It exhibits a novel 2D layered structure composed of 2D molybdenum antimonitelayers separated by isolated Sb(4)F3 groups and cesium cations, and is the first example of NCS d0 TM fluoroantimonate. SHG measurements revealed that Cs6Sb4Mo3O5F26 is a phase-matchable NLO material with SHG response of about 0.72 times that of KDP. The LIDT of Cs6Sb4Mo3O5F26 was evaluated to be 133.5 MW/cm2, about 33.4 times that of AGS. This work indicated that d0 TM fluoroantimonate is a promising NLO material system.


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