The Mössbauer spectrum of synthetic hureaulite: Fe5 2+(H2O)4(PO4H)2(PO 4)2

Angel Bustamante, Enrico Mattievich, Helio S. De Amorim, Ivo Vencato, Máximo M. Silveira

Research output: Contribution to journalArticlepeer-review

3 Scopus citations


The crystal structure of synthetic ferrous hureaulite, Fe5 2+ (H2O)4(PO4H)2(PO 4)2, was refined from single-crystal X-ray data. It is monoclinic, space group C2/c, with a=17.487(4), b=9.017(2), c=9.338(2) Å, β=96.27(3)°, V=1463.6(6) Å3, Z=4 and D calc=3.327 g/cm3. This end member of the hureaulite series was crystallized under distinctly acidic conditions, by a method that gives perfect crystals, large enough for X-ray single crystal studies. The main feature of the hureaulite structure is that it has an equal number of normal (PO4)3+ and acid (PO4H)2+ tetradentate groups. These are centered on Fe2+ atoms and share corners with edge-linked octahedra, forming pentamer units. The five Fe 2+ atoms are distributed on three distinct sites in these units. This can be directly observed in the Mössbauer spectrum at 295 K, which contains three doublets whose relative intensities correspond to the 1:2:2 distributions of crystallographic sites.

Original languageEnglish
Pages (from-to)599-603
Number of pages5
JournalHyperfine Interactions
Issue number1-4
StatePublished - Nov 2005
Externally publishedYes

Bibliographical note

Funding Information:
Acknowledgement The authors thank the Chemistry Department of Federal University of Santa Catarina for the X-ray single crystal data collection. The research was funded by FUJB, FAPERJ, FINEP and CNPq.


  • Hureaulite
  • Iron phosphate
  • Mössbauer Spectroscopy
  • X-ray refinement


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