Abstract
A single crystal of a new sodium calcium iron (III) phosphate, Na 4CaFe 4(PO 4) 6, has been synthesized by a flux method and characterized by X-ray diffraction, Mössbauer spectroscopy and magnetic susceptibility measurements. The compound crystallizes in the monoclinic space group C2/ c( a=12.099(5) Å, b=12.480(5) Å, c=6.404(2) Å, β=113.77(3)°, Z=2, R 1=0.022, R w2=0.066). The crystal structure belongs to the alluaudite type, characterized by the X(2) X(1) M(1) M(2) 2(PO 4) 3 general formula. The open framework results from Fe 2O 10 units of edge-sharing FeO 6 octahedra, which alternate with M(1)O 6 octahedra ( M(1)= 1 2 Na+ 1 2 Ca) that form infinite chains. These chains are linked together through the common corners of PO 4 tetrahedra yielding two distinct tunnels of sodium cation occupation. This compound is antiferromagnetic with a Néel temperature of 35 K. Mössbauer parameters are consistent with the structural results.
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