Structure of incommensurate ammonium tetrafluoroberyllate studied by structure refinements and the maximum entropy method

Palatinus, L.; Amami, M.; van Smaalen, S.

doi:10.1107/S0108768104000874

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 1
x₂-x₄ sections of the difference Fourier map at the position of the F2 atom. (a) Without modulated ADP, $[\Delta \rho_{\rm min}]$ = −0.94 e Å^-3, $[\Delta \rho_{\rm max}]$ = 0.90 e Å^-3. (b) With modulated ADP, $[\Delta \rho_{\rm min}]$ = −0.18 e Å^-3, $[\Delta \rho_{\rm max}]$ = 0.23 e Å^-3. Contours at 0.05 e Å^-3, positive contours solid, negative contours dashed, the zero contour omitted. The thick line corresponds to the refined position of the F2 atom.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 60| Part 2| March 2004| Pages 127-137

doi:10.1107/S0108768104000874

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