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Figure 12
Energy variation of the simulated intensities (lines) and corresponding experiment (circles) of the ([\bar4, 2, 1/2]) reflection in the thin film B. The three simulated curves result from the P2/c model of displacements (a) without any charge disproportion (solid red line), (b) with charge disproportions on the octahedral B3–B4 (0.2 e−) atoms included (dotted green line) and (c) with the charge disproportion on the octahedral B3–B4 atoms reduced to half this value (dashed blue line).

Journal logoJOURNAL OF
SYNCHROTRON
RADIATION
ISSN: 1600-5775
Volume 19| Part 2| February 2012| Pages 159-173
doi:10.1107/S0909049512001367
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