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 language | English |
|---|---|
| Pages (from-to) | 558-564 |
| Number of pages | 7 |
| Journal | Acta Crystallographica Section B: Structural Science |
| Volume | 56 |
| Issue number | 4 |
| DOIs | |
| Publication status | Published - Aug 2000 |
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