Crystal structures of hexacyanometallates with bifurcated cyano groups

Joelis Rodríguez-Hernndez, Ariel Gomez, Edilso Reguera

Research output: Contribution to journalArticle

17 Scopus citations


The crystal structures for T 2 [M(CN) 6 ] where T ≤ Mn, Cd; M ≤ Fe, Ru, Os, were refined from the corresponding XRD powder patterns using the Rietveld method in the hexagonal P-3 (147) space group with Z ≤ 1. In the structure of these families of anhydrous hexacyanometallates (II) the N end of the CN group appears bifurcated, serving as a ligand for two neighbouring T metals. Such a coordination mode has not been reported before for transition metal hexacyanometallates but it is consistent with the magnetic properties and Mössbauer, IR and Raman spectra of the studied compounds. The anhydrous solids are obtained by dehydration of the corresponding octahydrates. In the hydrated form the metals (Mn, Cd) linked at the N ends have a mixed coordination sphere formed by three N atoms and three coordinated waters, with two of these latter forming bridges between two neighbouring metals. The loss of these structural waters leaves the metals (T) in an unstable state with only three ligands in their coordination sphere and a structural transformation involving a change in the CN group electronic configuration is induced. The metal coordination through bifurcated CN groups leads to a remarkable increase in the charge overlapping between the metal centres, which appears attractive for molecular magnet design. © 2007 IOP Publishing Ltd.
Original languageAmerican English
Pages (from-to)6076-6082
Number of pages7
JournalJournal of Physics D: Applied Physics
StatePublished - 7 Oct 2007
Externally publishedYes

Fingerprint Dive into the research topics of 'Crystal structures of hexacyanometallates with bifurcated cyano groups'. Together they form a unique fingerprint.

  • Cite this