Crystal Structure Evolution of Slawsonite SrAl 2Si 2O 8and Paracelsian BaAl 2Si 2O 8upon Compression and Decompression

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Crystal Structure Evolution of Slawsonite SrAl ₂Si ₂O ₈and Paracelsian BaAl ₂Si ₂O ₈upon Compression and Decompression. / Gorelova, Liudmila A. ; Pakhomova, Anna; Krzhizhanovskaya, Maria G. ; Pankin, Dmitrii V. ; Krivovichev, Sergey V. ; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V. .

In: Journal of Physical Chemistry C, Vol. 125, No. 23, 17.06.2021, p. 13014-13023.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{37cb0735466d4fea84721ad51f6f85f8,

title = "Crystal Structure Evolution of Slawsonite SrAl 2Si 2O 8and Paracelsian BaAl 2Si 2O 8upon Compression and Decompression",

abstract = "The high-pressure behavior of slawsonite, SrAl2Si2O8, has been studied using in situ single-crystal X-ray diffraction (SCXRD) and Raman spectroscopy up to 31 GPa. Slawsonite undergoes displacive phase transition between 6 and 8 GPa with the formation of slawsonite-II, featuring fivefold coordinated silicon and aluminum. The results have been confirmed by the changes in vibrational modes using Raman spectroscopy. High-pressure evolution of the Raman spectra of isotypic paracelsian, BaAl2Si2O8, was studied upon compression and decompression up to 37.5 GPa. Raman data for paracelsian upon compression are in good agreement with previously obtained SCXRD data, which demonstrated three phase transitions at ∼6, 28, and 32 GPa with the formation of AlO5, SiO5, AlO6, and SiO6 polyhedra. Raman data upon decompression show the possibility to quench the high-pressure modification, containing AlO5 polyhedra. The comparison of the high-pressure behavior of slawsonite with paracelsian reveals that the increasing size of extra framework cation from Sr2+ to Ba2+ reduces the phase transition pressure but does not change the transformation pathway.",

keywords = "THERMAL-EXPANSION, PENTACOORDINATED SILICON, PLAGIOCLASE FELDSPARS, PRESSURE, DANBURITE, ALBITE, DISSYMMETRIZATION, DIFFRACTION, TRANSITIONS, DISSOLUTION",

author = "Gorelova, {Liudmila A.} and Anna Pakhomova and Krzhizhanovskaya, {Maria G.} and Pankin, {Dmitrii V.} and Krivovichev, {Sergey V.} and Dubrovinsky, {Leonid S.} and Kasatkin, {Anatoly V.}",

note = "Publisher Copyright: {\textcopyright} 2021 American Chemical Society.",

year = "2021",

month = jun,

day = "17",

doi = "10.1021/acs.jpcc.1c02949",

language = "English",

volume = "125",

pages = "13014--13023",

journal = "Journal of Physical Chemistry C",

issn = "1932-7447",

publisher = "American Chemical Society",

number = "23",

}

RIS

TY - JOUR

T1 - Crystal Structure Evolution of Slawsonite SrAl 2Si 2O 8and Paracelsian BaAl 2Si 2O 8upon Compression and Decompression

AU - Gorelova, Liudmila A.

AU - Pakhomova, Anna

AU - Krzhizhanovskaya, Maria G.

AU - Pankin, Dmitrii V.

AU - Krivovichev, Sergey V.

AU - Dubrovinsky, Leonid S.

AU - Kasatkin, Anatoly V.

PY - 2021/6/17

Y1 - 2021/6/17

N2 - The high-pressure behavior of slawsonite, SrAl2Si2O8, has been studied using in situ single-crystal X-ray diffraction (SCXRD) and Raman spectroscopy up to 31 GPa. Slawsonite undergoes displacive phase transition between 6 and 8 GPa with the formation of slawsonite-II, featuring fivefold coordinated silicon and aluminum. The results have been confirmed by the changes in vibrational modes using Raman spectroscopy. High-pressure evolution of the Raman spectra of isotypic paracelsian, BaAl2Si2O8, was studied upon compression and decompression up to 37.5 GPa. Raman data for paracelsian upon compression are in good agreement with previously obtained SCXRD data, which demonstrated three phase transitions at ∼6, 28, and 32 GPa with the formation of AlO5, SiO5, AlO6, and SiO6 polyhedra. Raman data upon decompression show the possibility to quench the high-pressure modification, containing AlO5 polyhedra. The comparison of the high-pressure behavior of slawsonite with paracelsian reveals that the increasing size of extra framework cation from Sr2+ to Ba2+ reduces the phase transition pressure but does not change the transformation pathway.

AB - The high-pressure behavior of slawsonite, SrAl2Si2O8, has been studied using in situ single-crystal X-ray diffraction (SCXRD) and Raman spectroscopy up to 31 GPa. Slawsonite undergoes displacive phase transition between 6 and 8 GPa with the formation of slawsonite-II, featuring fivefold coordinated silicon and aluminum. The results have been confirmed by the changes in vibrational modes using Raman spectroscopy. High-pressure evolution of the Raman spectra of isotypic paracelsian, BaAl2Si2O8, was studied upon compression and decompression up to 37.5 GPa. Raman data for paracelsian upon compression are in good agreement with previously obtained SCXRD data, which demonstrated three phase transitions at ∼6, 28, and 32 GPa with the formation of AlO5, SiO5, AlO6, and SiO6 polyhedra. Raman data upon decompression show the possibility to quench the high-pressure modification, containing AlO5 polyhedra. The comparison of the high-pressure behavior of slawsonite with paracelsian reveals that the increasing size of extra framework cation from Sr2+ to Ba2+ reduces the phase transition pressure but does not change the transformation pathway.

KW - THERMAL-EXPANSION

KW - PENTACOORDINATED SILICON

KW - PLAGIOCLASE FELDSPARS

KW - PRESSURE

KW - DANBURITE

KW - ALBITE

KW - DISSYMMETRIZATION

KW - DIFFRACTION

KW - TRANSITIONS

KW - DISSOLUTION

UR - http://www.scopus.com/inward/record.url?scp=85108530657&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/dca0bad2-f511-361b-bf19-cd2f77aeaa4f/

U2 - 10.1021/acs.jpcc.1c02949

DO - 10.1021/acs.jpcc.1c02949

M3 - Article

VL - 125

SP - 13014

EP - 13023

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 23

ER -

ID: 77251595