Crystal structure of vyacheslavite, U(PO4)(OH), solved from natural nanocrystal: a precession electron diffraction tomography (PEDT) study and DFT calculations
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00519120" target="_blank" >RIV/68378271:_____/19:00519120 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0304141" target="_blank" >http://hdl.handle.net/11104/0304141</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c9ra03694f" target="_blank" >10.1039/c9ra03694f</a>
Alternative languages
Result language
angličtina
Original language name
Crystal structure of vyacheslavite, U(PO4)(OH), solved from natural nanocrystal: a precession electron diffraction tomography (PEDT) study and DFT calculations
Original language description
The crystal structure of the U(IV)-phosphate mineral vyacheslavite has been solved from precession electron diffraction tomography (PEDT) data from the natural nano-crystal and further refined using densityfunctional theory (DFT) calculations. Vyacheslavite is orthorhombic, with the space group Cmca. Its structure is a complex heteropolyhedral framework consisting of sheets of UO7(OH) and PO4 polyhedra, running parallel to (001), interconnected by additional PO4 polyhedra. There is an (OH) group associated with the U(IV) polyhedron. The question of H2O presence within the small cavities of the framework has been addressed by the DFT calculations, which have proved that vyacheslavite does not contain any significant amount of H2O at room temperature.
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/GA17-09161S" target="_blank" >GA17-09161S: Crystal structures, chemistry and stability of arsenate and sulfate minerals</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
RSC Advances
ISSN
2046-2069
e-ISSN
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Volume of the periodical
9
Issue of the periodical within the volume
34
Country of publishing house
GB - UNITED KINGDOM
Number of pages
5
Pages from-to
19657-19661
UT code for WoS article
000475455200042
EID of the result in the Scopus database
2-s2.0-85068231593