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Figure 3
Experimental X-ray diffraction pattern (+ symbols) compared with (a) malachite-like and (b) rosasite-like (green and red lines, respectively) Rietveld refinement curves (atomic positions fixed to DFT values). (c) Difference between experimental and refined intensities for both models.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 73| Part 5| October 2017| Pages 868-873
https://doi.org/10.1107/S2052520617007983
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