Towards a unified description of the AMOB2O5 (a = K, Rb, Cs, TI; M = Nb, Ta) family of compounds

Siegbert Schmid*, Ray L. Withers, Deborah Corker, Pierre Baules

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    11 Citations (Scopus)

    Abstract

    Single-crystal X-ray diffraction data (Mo Kα radiation) are used to re-refine the structure of RbNbOB2O5, rubidium niobium oxo pyroborate. The structure is refined as an incommensurate modulated structure with superspace group symmetry Pmn21(0,0.4,0)s and lattice parameters a = 7.406 (2), b = 3.939 (2) and c = 9.475 (2) A. Refinement on 3242 unique reflections converged to R = 0.031, while a previous conventional superstructure refinement led to R = 0.090. This lowering of the R factor goes hand-in-hand with a substantial reduction in the number of refined parameters. The refinement strongly suggests that the structure is effectively incommensurately modulated, despite an apparently rational magnitude of the primary modulation wave-vector and overlap of satellite reflections.

    Original languageEnglish
    Pages (from-to)558-564
    Number of pages7
    JournalActa Crystallographica Section B: Structural Science
    Volume56
    Issue number4
    DOIs
    Publication statusPublished - Aug 2000

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