Etude expérimentale et théorique d’un nouveau composé halogène pnicture Hg$_{12}$Sb$_6 ($Br$_{5,186}$I$_{6,814})$

We synthesized the compound $\mathrm{Hg}_{12}\mathrm{Sb}_6(\mathrm{Br}_{5,186}\mathrm{I}_{6,814})$ by chemical vapour transport method. Its structure was determined by single crystal X-ray diffraction. The optical band gap was determined as 2,1 eV according to UV${-}$vis diffuse reflectance spectroscopy. Furthermore, the photocatalytic experiments have shown the ability of the $\mathrm{Hg}_{12}\mathrm{Sb}_6$ ($\mathrm{Br}_{5,186}\mathrm{I}_{6,814}$) to degrade rhodamine B (RhB) under solar light radiation. The ab initio calculations using the CASTEP code give a gap of 1,7 eV in good agreement with that found experimentally.