How do electrons travel in unusual metallic fluorides of Ag 2+ ?

We investigate computationally two representative examples of higher fluorides of Ag(II), namely KAgF 3 and AgFBF 4 . Both compounds formally contain linear (Ag–F) + chains, in which divalent silver is coordinated additionally by four fluoride anions. For AgFBF 4 , the equatorial coordination is weak, and leads to metallic conductivity in 1D, as emerges from our band structure calculations. For KAgF 3 , however, the axial coordination is very strong, and the compound is virtually a 2D metal (i.e. it is mainly the x 2 – y 2 orbitals of Ag that participate in electronic transport in this interesting material). (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)