view article
Figure 4
(a) As-measured PDFs of α-quartz, offset with increasing pressure. (b) Corrected PDFs and their corresponding RMC fits (black lines). Fourier ripples are present and modelled between the first two sample peaks at 1.60 and 2.62 Å. (c) Expanded region of (b) showing the 1–4 Å region more clearly. (d) Comparisons of the as-measured and corrected 1.60 and 2.62 Å PDF peaks, highlighting the effect of ME on the relative peak intensities. The as-measured PDFs have been scaled to aid visual comparison. (e) Si—O—Si bond angle distributions from RMC models, corresponding to deformation of the α-quartz structure, with the horizontal arrow indicating angle distribution progression with increasing pressure. The left-hand inset shows the crystal structure connectivity of the SiO4 units, and the right-hand inset shows an approximate mode of deformation.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 6| December 2021| Pages 1546-1554
https://doi.org/10.1107/S1600576721009420
Follow J. Appl. Cryst.
Sign up for e-alerts
E-alerts
Follow J. Appl. Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS