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Figure 9
Atomic charges after refinement versus theoretical diffraction data. In orange, using all data up to s = 2.0 Å−1; in blue, using data up to s = 1.1115 Å−1, which is the limit of experimental data. The standard deviations of the charges are shown as error bars.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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