The first examples of zirconium fluoroantimonites, namely, KZrF(SbF)(SbF) and K(ZrF)(SbZrF), have been successfully synthesized by facial hydrothermal reactions. KZrF(SbF)(SbF) features a unique 1D (ZrSbF) double-chain structure, while K(ZrF)(SbZrF) displays a special 0D construction composed of ZrSbF tetranuclear clusters and isolated ZrF octahedra. The two fluorides can exhibit a broad transparency range with almost no absorption peaks from ultraviolet to near-IR. For K(ZrF)(SbZrF), a phase transformation was found before decomposition. The band structures, density of states, and linear-optical properties for the title compounds were also obtained.

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http://dx.doi.org/10.1021/acs.inorgchem.2c00341DOI Listing

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