view article
Figure 8
(a) Rietveld refinement of 1.22 g of LiKHC6H5O7 loaded in a 6 mm V can and measured for 2.6 h in the sample changer using a center wavelength of 2.665 Å at room temperature. Light-blue dots represent measured data, the royal-blue line is the model fit to the data and the black line is the difference curve. Tick marks show the locations of the expected Bragg peaks. (b) The Fourier density of the missing hydrogen is overlaid on the DFT-calculated hydrogen location.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 52| Part 5| October 2019| Pages 1189-1201
https://doi.org/10.1107/S160057671901121X
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