The layered uranyl silicate mineral uranophane-β: crystal structure, mechanical properties, Raman spectrum and comparison with the α-polymorph

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00519722" target="_blank" >RIV/68378271:_____/19:00519722 - isvavai.cz</a>
Alternative codes found
RIV/00023272:_____/19:10134545
Result on the web
<a href="https://doi.org/10.1039/c9dt03256h" target="_blank" >https://doi.org/10.1039/c9dt03256h</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c9dt03256h" target="_blank" >10.1039/c9dt03256h</a>

Result language
angličtina
Original language name
The layered uranyl silicate mineral uranophane-β: crystal structure, mechanical properties, Raman spectrum and comparison with the α-polymorph
Original language description
The crystal structure, elastic properties and the Raman spectrum of the layered calcium uranyl silicate pentahydrate mineral uranophane-ß, Ca(UO2)2Si2O6(OH)2•5H2O, are studied by means of first-principles solid-state methods and compared with the corresponding information for the α polymorph. The availability of the energy optimized full crystal structure of uranophane-ß, including the positions of the hydrogen atoms, made possible the computation of its elastic properties and the Raman spectrum by using the theoretical methodology. An extended set of relevant mechanical data is reported.n
Czech name
—
Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10505 - Geology

Project
<a href="/en/project/LO1603" target="_blank" >LO1603: Centre of Technology and Advanced Structure Analysis of Materials with Application Impact</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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