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Figure 5
Comparison of the experimental X-ray powder diagram (top) with the simulated diagram of the predicted structure with energy rank 2 (bottom). There was no fit to the experimental data at this stage.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 67| Part 2| February 2011| Pages 155-162
doi:10.1107/S0108768111001169
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