Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data

Fábry, J.; Kučeráková, M.; Dušek, M.; Buixaderas, E.; Hlinka, J.

doi:10.1107/S2052520622001135

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

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Figure 5
(a) A section of the difference electron-density map calculated from the reflections up to sinθ_max/λ = 0.671639 Å⁻¹ using the refined model with the Cs atom only ( $[Pm {\overline 3} m]$ ). The section is perpendicular to [111] and passes through (∼0.48, ∼0.48, ∼0.48). The increments of the contours are 0.10 e Å⁻³. (b) The same as in panel (a) but the section passes through (∼0.50, ∼0.50, ∼0.50). (c) The same as in panel (a) but the section passes through (∼0.52, ∼0.52, ∼0.52). (d), (e) and (f) The same as in panels (a), (b) and (c), respectively, except that sinθ_max/λ = 0.995000 Å⁻¹ was used in these calculations. All panels were drawn using JANA2006 (Petříček et al., 2014

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 78| Part 2| April 2022| Pages 140-152

https://doi.org/10.1107/S2052520622001135

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