title: Temperature- and pressure-dependent structural study of {Fe(pmd)2[Ag(CN)2]2}n spin-crossover compound by neutron Laue diffraction.
abstract: The effect of pressure (up to 0.17 GPa) on the spin-crossover compound {Fe(pmd)2[Ag(CN)2]2}n [orthorhombic isomer (II), pmd = pyrimidine] has been investigated by temperature- and pressure-dependent neutron Laue diffraction and magnetometry. The cooperative high-spin ↔ low-spin transition, centred at ca 180 K at ambient pressure, is shifted to higher temperatures as pressure is applied, showing a moderate sensitivity of the compound to pressure, since the spin transition is displaced by ca 140 K GPa(-1). The space-group symmetry (orthorhombic Pccn) remains unchanged over the pressure-temperature (P-T) range studied. The main structural consequence of the high-spin to low-spin transition is the contraction of the distorted octahedral [FeN6] chromophores, being more marked in the axial positions (occupied by the pmd units), than in the equatorial positions (occupied by four [Ag(CN)2](-) bridging ligands).
authors.affiliation: Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, C/Pedro Cerbuna 12, E-50009 Zaragoza, Spain.
authors.forename: José Alberto
authors.initials: JA
authors.lastname: Rodríguez-Velamazán
authors.affiliation: Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, C/Pedro Cerbuna 12, E-50009 Zaragoza, Spain.
authors.forename: Laura
authors.initials: L
authors.lastname: Cañadillas-Delgado
authors.affiliation: Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza, C/Pedro Cerbuna 12, E-50009 Zaragoza, Spain.
authors.forename: Miguel
authors.initials: M
authors.lastname: Castro
authors.affiliation: Institut Laue-Langevin, 6 rue Jules Horowitz, BP 156, 38042 Grenoble, France.
authors.forename: Garry J
authors.initials: GJ
authors.lastname: McIntyre
authors.affiliation: Instituto de Ciencia Molecular (ICMol), Universidad de Valencia, Paterna, E-46980 Valencia, Spain.
authors.forename: José Antonio
authors.initials: JA
authors.lastname: Real
keywords: chromophores; magnetic materials; pressure–temperature; spin-crossover compounds