Complete crystal structures and elastic properties of the uranyl minerals johannite, pseudojohannite and derriksite
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F22%3A00563999" target="_blank" >RIV/68378271:_____/22:00563999 - isvavai.cz</a>
Alternative codes found
RIV/00023272:_____/22:10135675
Result on the web
<a href="https://hdl.handle.net/11104/0335756" target="_blank" >https://hdl.handle.net/11104/0335756</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/cryst12111503" target="_blank" >10.3390/cryst12111503</a>
Alternative languages
Result language
angličtina
Original language name
Complete crystal structures and elastic properties of the uranyl minerals johannite, pseudojohannite and derriksite
Original language description
Due to the high solubility of uranyl sulfate and selenite minerals, the investigation involving the determination of the crystal structures and physical properties of these minerals is essential in actinide environmental chemistry for the simulation of uranium migration from uraninite deposits and nuclear waste repositories. However, the determination of the complete crystal structures of the uranyl sulfate minerals johannite and pseudojohannite and the uranyl selenite mineral derriksite has not been feasible so far. In this work, the crystal structures of these minerals, including the positions of the hydrogen atoms, are determined using first principles solidstate methods based on periodic density functional theory using plane wave basis sets and pseudopotentials.
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
—
OECD FORD branch
10504 - Mineralogy
Result continuities
Project
<a href="/en/project/GA20-11949S" target="_blank" >GA20-11949S: UNanoCryst: crystallography and mineralogy of supergene weathering products of uraninite at the nanoscale</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
Crystals
ISSN
2073-4352
e-ISSN
2073-4352
Volume of the periodical
12
Issue of the periodical within the volume
11
Country of publishing house
CH - SWITZERLAND
Number of pages
18
Pages from-to
1503
UT code for WoS article
000881026900001
EID of the result in the Scopus database
2-s2.0-85141832095