Pressure effects on the crystal structure of the cubic metallofullerene salt [Li@C-60][PF6] to 12 GPa
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F22%3A10443284" target="_blank" >RIV/00216208:11320/22:10443284 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Os2BjuPPQU" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=Os2BjuPPQU</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.mtcomm.2022.103275" target="_blank" >10.1016/j.mtcomm.2022.103275</a>
Alternative languages
Result language
angličtina
Original language name
Pressure effects on the crystal structure of the cubic metallofullerene salt [Li@C-60][PF6] to 12 GPa
Original language description
The pressure-dependent structural properties of the metallofullerene salt, Li+@C-60][PF6](-), which has been shown before to adopt a primitive cubic structure at ambient conditions, have been studied by synchrotron X-ray powder diffraction at ambient temperature and at 7 K up to similar to 12 GPa. We find no evidence for a phase transition across the accessed pressure range at either temperature with the structure always remaining strictly primitive cubic (space group Pa (3) over bar). The extracted bulk moduli, K-0 of 17.51(13) GPa and 16.6(2) GPa at 7 K and ambient temperature, respectively are comparable to those of other cubic close-packed fullerene solids implying little influence of the interaction between the endohedral Li+ and the interstitial [PF6](-) unit. Rietveld analysis of the diffraction data shows that the adopted primitive cubic structure incorporates orientationally ordered [Li+@C-60] units - they are rotated anticlockwise by similar to 101 degrees about the three-fold [111] rotation axis. This finding together with the lack of observation of a monomer -> polymer phase transition upon pressurization contrast sharply with the structural behaviour of isostructural pristine C-60 and its intercalated salts, (deely quenched) CsC60 and Na2CsC60, which both incorporate orientationally disordered C60 units and have a tendency to easily polymerize via intermolecular C-C bond formation. Such differences can be understood in terms of the expanded nature of the salt and the steric interactions introduced by the large [PF6](-) unit residing in the octahedral interstices.
Czech name
—
Czech description
—
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
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
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
Materials Today Communications [online]
ISSN
2352-4928
e-ISSN
2352-4928
Volume of the periodical
31
Issue of the periodical within the volume
červen
Country of publishing house
GB - UNITED KINGDOM
Number of pages
7
Pages from-to
103275
UT code for WoS article
000761182100003
EID of the result in the Scopus database
2-s2.0-85124474843