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Figure 1
Rietveld refinement of the MgSO4·9D2O structure against neutron powder diffraction data obtained at 9 K in HRPD's 30–130 ms window and 100–200 ms window. The graphical output for each histogram's refinement has been stitched together at d = 2.4 Å. Filled red circles report the observed data, solid green lines the calculated fit and the purple line underneath is obs − calc. Note that, whilst MS9 represents almost 50% by weight of the sample, its larger unit-cell and lower symmetry mean that the intensity of the strongest MS9 peaks is many times less than water ice; consequently, the vertical scale has been greatly expanded, with the effect that the difference curve – particularly in the vicinity of the ice peaks – appears noisy. Tick marks for water ice are uppermost and those for MgSO4·9D2O are below them.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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