Abstract
The unusual square pyramidal geometry around halogen atoms bridging four Cu atoms in halocuprates is studied within the extended Huckel framework. Calculations are performed on the discrete molecular anion [Cu 6 Br 9 ] 3- , as well as on the one-dimensional polymeric [Cu 2 Br 3 ] - ∞ structure. We examine the bonding between the bridging Br and Cu atoms in planar and nonplanar model systems. Br should be capable of bridging as many as six Cu atoms
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