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Figure 5
Difference Fourier map in the x1–x2 plane (modulated composite) showing the nonharmonic character of the Ni atom, above the result of the refinement with harmonic ADPs (Δρ =  1.95/−3.93 e Å−3), below with Gram–Charlier nonharmonic terms of fourth order (Δρ  =  0.89/−0.72 e Å−3). The increment of the contour lines is in both cases 0.2 e Å−3. The Δρ given here refer to the sections shown and not to the complete unit cell.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 62| Part 2| March 2006| Pages 197-204
doi:10.1107/S0108768105039212
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