Structural study and physical properties of a new phosphate KCuFe(PO{sub 4}){sub 2}

Journal Article · Fri Apr 15 00:00:00 EDT 2011 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2011.02.021· OSTI ID:21494246

Badri, Abdessalem ^[1]; Hidouri, Mourad ^[1]; Lopez, Maria Luisa; Pico, Carlos ^[2]; Wattiaux, Alain ^[3]; Ben Amara, Mongi ^[1]

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1. UR Materiaux Inorganiques, Faculte des Sciences, 5019 Monastir (Tunisia)
2. Departamento de Quimica Inorganica I, Facultad de Ciencias Quimicas, Universidad Complutense, 28040 Madrid (Spain)
3. Institut de Chimie de la Matiere Condensee de Bordeaux, CNRS, Universite de Bordeaux I, 87 Avenue du Dr. A. Schweitzer, 33608 Pessac-Cedex (France)

Single crystals of a new phosphate KCuFe(PO{sub 4}){sub 2} 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 P2{sub 1}/n and its parameters are: a=7.958(3) A, b=9.931(2) A, c=9.039(2) A, {beta}=115.59(3){sup o} and Z=4. Its structure consists of FeO{sub 6} octahedra sharing corners with Cu{sub 2}O{sub 8} units of edge-sharing CuO{sub 5} polyhedra to form undulating chains extending infinitely along the b-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 +} ions are located. The Moessbauer spectroscopy results confirm the exclusive presence of octahedral Fe{sup 3+} ions. The magnetic measurements show the compound to be antiferromagnetic with C{sub m}=5.71 emu K/mol and {theta}=-156.5 K. The derived experimental effective moment {mu}{sub ex}=6.76{mu}{sub B} is somewhat higher than the theoretical one of {mu}{sub th}=6.16{mu}{sub B}, calculated taking only into account the spin contribution for Fe{sup 3+} and Cu{sup 2+} 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. -- Graphical abstract: A projection along the [101] direction of the structure showing the six-edged tunnels, occupied by the K{sup +} ions. Display Omitted Highlights: {yields} The reported structure is of a new type. {yields} The structural model is supported by a Moessbauer spectroscopy study. {yields} The magnetic susceptibility results are reported. {yields} The electrical properties are discussed.

• OSTI ID: 21494246
• Journal Information: Journal of Solid State Chemistry, Vol. 184, Issue 4; Other Information: DOI: 10.1016/j.jssc.2011.02.021; PII: S0022-4596(11)00075-2; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ACTIVATION ENERGY
ANTIFERROMAGNETISM
CATIONS
CHARGE CARRIERS
COPPER IONS
COPPER PHOSPHATES
ELECTRICAL PROPERTIES
EV RANGE 01-10
IRON IONS
IRON PHOSPHATES
MAGNETIC SUSCEPTIBILITY
MOESSBAUER EFFECT
MONOCLINIC LATTICES
MONOCRYSTALS
POTASSIUM IONS
POTASSIUM PHOSPHATES
SPACE GROUPS
STRUCTURAL MODELS
X-RAY DIFFRACTION
ALKALI METAL COMPOUNDS
CHARGED PARTICLES
COHERENT SCATTERING
COPPER COMPOUNDS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
DIFFRACTION
ENERGY
ENERGY RANGE
EV RANGE
IONS
IRON COMPOUNDS
MAGNETIC PROPERTIES
MAGNETISM
OXYGEN COMPOUNDS
PHOSPHATES
PHOSPHORUS COMPOUNDS
PHYSICAL PROPERTIES
POTASSIUM COMPOUNDS
SCATTERING
SYMMETRY GROUPS
TRANSITION ELEMENT COMPOUNDS