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Figure 2
Three possible models of the Pt5 occupancy function and the corresponding Fourier maps of the residual electron density (Δρ) calculated for the vicinity of the Pt5 position. (a) The harmonic function applied without any restriction, (b) the harmonic function constrained by ocos1 = 0 and (c) the crenel function; all of them give low values of Δρ. Red lines show the position modulation functions of Pt5. The black solid, dashed and dotted lines indicate positive, zero and negative contours, respectively, with a step of 0.5 eÅ−3.

IUCrJ
Volume 5| Part 4| July 2018| Pages 470-477
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518007303