K3Na(TaF7)(SiF6): a mixed-anion pentanary fluoride with zero-dimensional anions exhibiting a large band gap

Metal halides have potential applications in many optics-related fields, such as birefringence materials. Here, a pentanary fluoride K3Na(TaF7)(SiF6) has been obtained through a facile hydrothermal route. It crystallizes in the orthorhombic space group Immm, and its zero-dimensional framework featur...

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Bibliographic Details
Published in:Dalton transactions : an international journal of inorganic chemistry 2021-11, Vol.50 (45), p.16562-16567
Main Authors: Ru-Ling Tang, Lian, Xin, Wen-Dong, Yao, Liu, Wenlong, Sheng-Ping, Guo
Format: Article
Language:English
Subjects:
Birefringence
Energy gap
Fluorides
Halides
Magnesium fluorides
Metal halides
Mixed anions
Prisms
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Summary:Metal halides have potential applications in many optics-related fields, such as birefringence materials. Here, a pentanary fluoride K3Na(TaF7)(SiF6) has been obtained through a facile hydrothermal route. It crystallizes in the orthorhombic space group Immm, and its zero-dimensional framework features isolated SiF6 octahedra and TaF7 monocapped trigonal prisms, a new type of combination representing a new structure-type. It exhibits two wide optical band gaps of 4.46 eV and 5.67 eV which is consistent with DFT calculation. K3Na(TaF7)(SiF6) exhibits a larger birefringence (0.045 at 253.7 nm) compared with the commercial MgF2 crystal.
ISSN:1477-9226
1477-9234
DOI:10.1039/d1dt03320d