Artykuł w czasopiśmie
Brak miniatury
Licencja
CC-BYCC-BY - Uznanie autorstwa
 

Experimental charge density of grossular under pressure – a feasibility study

Uproszczony widok
dc.abstract.enX-ray diffraction studies of crystals under pressure and quantitative experimental charge density analysis are among the most demanding types of crystallographic research. A successful feasibility study of the electron density in the mineral grossular under 1 GPa pressure conducted at the CRISTAL beamline at the SOLEIL synchrotron is presented in this work. A single crystal was placed in a diamond anvil cell, but owing to its special design (wide opening angle), short synchrotron wavelength and the high symmetry of the crystal, data with high completeness and high resolution were collected. This allowed refinement of a full multipole model of experimental electron distribution. Results are consistent with the benchmark measurement conducted without a diamond-anvil cell and also with the literature describing investigations of similar structures. Results of theoretical calculations of electron density distribution on the basis of dynamic structure factors mimic experimental findings very well. Such studies allow for laboratory simulations of processes which take place in the Earth’s mantle.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorGajda, Roman
dc.contributor.authorStachowicz, Marcin
dc.contributor.authorMakal, Anna
dc.contributor.authorSutuła, Szymon
dc.contributor.authorParafiniuk, Jan
dc.contributor.authorWoźniak, Krzysztof
dc.contributor.authorFertey, Pierre
dc.date.accessioned2024-01-25T00:07:55Z
dc.date.available2024-01-25T00:07:55Z
dc.date.copyright2020-02-11
dc.date.issued2020
dc.description.accesstimeAT_PUBLICATION
dc.description.financeŚrodki finansowe, o których mowa w art. 365 pkt. 2 ustawy
dc.description.number3
dc.description.versionFINAL_PUBLISHED
dc.description.volume7
dc.identifier.doi10.1107/S2052252520001955
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/106755
dc.languageeng
dc.pbn.affiliationearth and related environmental sciences
dc.relation.ispartofIUCrJ
dc.relation.pages383-392
dc.rightsCC-BY
dc.sciencecloudnosend
dc.subject.engrossular
dc.subject.engarnet
dc.subject.enexperimental charge density
dc.subject.enhigh pressure
dc.subject.ensynchrotron radiation
dc.subject.enmultipole refinement
dc.titleExperimental charge density of grossular under pressure – a feasibility study
dc.typeJournalArticle
dspace.entity.typePublication