Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F22%3A00556955" target="_blank" >RIV/68378271:_____/22:00556955 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1107/S2052520622001135" target="_blank" >https://doi.org/10.1107/S2052520622001135</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S2052520622001135" target="_blank" >10.1107/S2052520622001135</a>
Alternative languages
Result language
angličtina
Original language name
Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data
Original language description
A single-crystal structure determination of the cubic phase of CsNO3 based on data collected at 439 K up to sinθmax/λ = 0.995000 reciprocal Angstroem, i.e. to an unprecedentedly high-θ value, is reported. The structure has been refined in Pm3m (Z = 1). Analysis of the difference electron-density maps revealed that the most appropriate model is the twelve-orientation model with the Cs, N, O1 and O2 atoms situated on the Wyckoff positions 1a, 6f, 6f and 24l, respectively, rather than the eight-orientation aragonite model with the Cs, N and O atoms situated on the Wyckoff positions 1a, 8g and 24m, respectively. Both models, however, show close similarities if the large anisotropic displacement parameters of the O atoms in the eight-orientation aragonite model are taken into account. The reason for this is shown to lie in the smeared electron density around the positions of the disordered nitrate anion.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
<a href="/en/project/GX19-28594X" target="_blank" >GX19-28594X: Ferroelectric skyrmions</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Crystallographica Section B-Structural Science Crystal Engineering and Materials
ISSN
2052-5206
e-ISSN
2052-5206
Volume of the periodical
78
Issue of the periodical within the volume
2
Country of publishing house
GB - UNITED KINGDOM
Number of pages
13
Pages from-to
140-152
UT code for WoS article
000782303000006
EID of the result in the Scopus database
2-s2.0-85128100152