Structural study and physical properties of a new phosphate KCuFe(PO<sub>4</sub>)<sub>2</sub>
Langue
en
Article de revue
Ce document a été publié dans
Journal of Solid State Chemistry. 2011, vol. 184, n° 4, p. 937-944
Elsevier
Résumé en anglais
Single crystals of a new phosphate KCuFe(PO<sub>4</sub>)<sub>2</sub> have been prepared by the flux method and its structural and physical properties have been investigated. This compound crystallizes in the monoclinic ...Lire la suite >
Single crystals of a new phosphate KCuFe(PO<sub>4</sub>)<sub>2</sub> have been prepared by the flux method and its structural and physical properties have been investigated. This compound crystallizes in the monoclinic system with the space group <i>P</i>2<sub>1</sub>/<i>n</i> and its parameters are: <i>a</i>=7.958(3) Å, <i>b</i>=9.931(2) Å, <i>c</i>=9.039(2) Å, <i>β</i>=115.59(3)° and <i>Z</i>=4. Its structure consists of FeO<sub>6</sub> octahedra sharing corners with Cu<sub>2</sub>O<sub>8</sub> units of edge-sharing CuO<sub>5</sub> polyhedra to form undulating chains extending infinitely along the <i>b</i>-axis. These chains are connected by the phosphate tetrahedra giving rise to a 3D framework with six-sided tunnels parallel to the [101] direction, where the K<sup>+</sup> ions are located. The Mössbauer spectroscopy results confirm the exclusive presence of octahedral Fe<sup>3+</sup> ions. The magnetic measurements show the compound to be antiferromagnetic with <i>C</i><sub><i>m</i></sub>=5.71 emu K/mol and <i>θ</i>=−156.5 K. The derived experimental effective moment <i>μ</i><sub><i>ex</i></sub>=6.76<i>μ</i><sub>B</sub> is somewhat higher than the theoretical one of <i>μ</i><sub><i>th</i></sub>=6.16<i>μ</i><sub>B</sub>, calculated taking only into account the spin contribution for Fe<sup>3+</sup> and Cu<sup>2+</sup> cations. Electrical measurements allow us to obtain the activation energy (1.22 eV) and the conductivity measurements suggest that the charge carriers through the structure are the potassium cations.< Réduire
Mots clés en anglais
Phosphate
X-ray diffraction
Mössbauer spectroscopy
Magnetic susceptibility
Electrical measurements
Origine
Importé de halUnités de recherche