Abstract
A new monophosphate Na1.28Ni0.86Fe2(PO4)3 has been synthesized by a flux method and structurally characterized by single-crystal X-ray diffraction. The compound crystallizes in the orthorhombic space group Ibmm with the parameters: a = 6.438(2) Å, b = 10.515(3) Å, c = 13.166(3) Å, Z = 4. The structure is built up from Fe2O10 units of edge-sharing FeO6 octahedra, which are connected through the corners of MO6 (M = Ni2+ or a vacancy) octahedra and PO4 tetrahedra to form a three-dimensional framework analogous to that of α-CrPO4. Of the two crystallographically distinct Na+ sites contained in this structure, one is totally filled whereas the other is 28% occupied.
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Hidouri, M., Lajmi, B., Driss, A. et al. Synthesis and crystal structure of Na1.28Ni0.86Fe2(PO4)3 . Journal of Chemical Crystallography 34, 669–672 (2004). https://doi.org/10.1023/B:JOCC.0000047641.37337.db
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DOI: https://doi.org/10.1023/B:JOCC.0000047641.37337.db