Synthesis and characterization of La3NbSe2O4F2

Theodore D. Brennan, Michael F. Mansuetto, James A. Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations


Crystals of the unusual oxyfluoroselenide La3NbSe2O4F2 were obtained during the exploration of the quaternary La/Nb/Cu/Se system. Oxygen was extracted from the silica tube, while fluorine was present as a minor impurity in the La powder. The compound crystallizes in space group D162h-Pnma of the orthorhombic system with four formula units in a cell with dimensions: a = 11.290(4), b = 4.001(1), and c = 18.062(4) Å (T = 113 K). The structure has been determined by single-crystal X-ray methods. The presence of F in the crystals was confirmed by windowless EDAX measurements. The two F sites were distinguished from the four O sites from a combination of the X-ray refinement and a bond-valence parameter calculation made with the program EUTAX. In the structure the Nb atom is octahedrally coordinated while each of the three independent La atoms is in a tricapped trigonal prism. The Nb atom is bound to one Se atom and five O atoms while the three La sites are coordinated by various combinations of Se, O, and F atoms. The NbO5Se octahedra corner share and the LaSexOyFz tricapped trigonal prisms face share in the b direction.

Original languageEnglish (US)
Pages (from-to)547-553
Number of pages7
JournalJournal of Solid State Chemistry
Issue number2
StatePublished - Dec 1993

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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