New Search

Export article

New and refined bond valence parameters for Te4+–F, Te4+–S2− and Te4+–Se2− ion pairs

, Lyna Torzuoli, Assil Bouzid, Philippe Thomas, Olivier Masson

Abstract: New and refined bond valence parameters related to ion pairs constituted of the tellurium Te4+ cation and non-oxide Xn anions (X = F, S or Se) are proposed. After a selection of specific crystalline structures, the optimization of the bond valence parameters R and b with a cutoff distance is carried out by minimizing the root mean square deviation of the Te4+ cation valence. The results are R = 1.728 Å and b = 0.622 Å with cutoff = 5.3 Å for the Te4+–F pair and R = 2.444 Å and b = 0.387 Å with cutoff = 4.5 Å for the Te4+–S2− pair. These parameters lead to a lower dispersion of the calculated valences around the formal valence compared to that obtained with the parameters available in the literature. As for the new set related to the Te4+–Se2− pair, we find R = 2.578 Å and b = 0.296 Å with cutoff = 3.7 Å.
Keywords: bond valence parameters / non-oxide anions / tellurium Te(IV)

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

Share this article

Click here to see the statistics on "Zeitschrift für Kristallographie - Crystalline Materials" .
References (20)
    Back to Top Top