Abstract
The first examples of zirconium fluoroantimonites, namely, K3ZrF4(SbF4)(SbF5) and K8(ZrF6)(Sb2Zr2F20), have been successfully synthesized by facial hydrothermal reactions. K3ZrF4(SbF4)(SbF5) features a unique 1D (ZrSb2F13)3- double-chain structure, while K8(ZrF6)(Sb2Zr2F20) displays a special 0D construction composed of Zr2Sb2F20 tetranuclear clusters and isolated ZrF6 octahedra. The two fluorides can exhibit a broad transparency range with almost no absorption peaks from ultraviolet to near-IR. For K8(ZrF6)(Sb2Zr2F20), 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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