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Raman study of 3.65 Å-phase MgSi(OH)6 under high pressure and the bands assignment. / Borodina, Ulyana; Goryainov, Sergey; Oreshonkov, Aleksandr et al.

In: High Pressure Research, Vol. 40, No. 4, 01.10.2020, p. 495-510.

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

Harvard

Borodina, U, Goryainov, S, Oreshonkov, A, Shatskiy, A & Rashchenko, S 2020, 'Raman study of 3.65 Å-phase MgSi(OH)6 under high pressure and the bands assignment', High Pressure Research, vol. 40, no. 4, pp. 495-510. https://doi.org/10.1080/08957959.2020.1830078

APA

Borodina, U., Goryainov, S., Oreshonkov, A., Shatskiy, A., & Rashchenko, S. (2020). Raman study of 3.65 Å-phase MgSi(OH)6 under high pressure and the bands assignment. High Pressure Research, 40(4), 495-510. https://doi.org/10.1080/08957959.2020.1830078

Vancouver

Borodina U, Goryainov S, Oreshonkov A, Shatskiy A, Rashchenko S. Raman study of 3.65 Å-phase MgSi(OH)6 under high pressure and the bands assignment. High Pressure Research. 2020 Oct 1;40(4):495-510. doi: 10.1080/08957959.2020.1830078

Author

Borodina, Ulyana ; Goryainov, Sergey ; Oreshonkov, Aleksandr et al. / Raman study of 3.65 Å-phase MgSi(OH)6 under high pressure and the bands assignment. In: High Pressure Research. 2020 ; Vol. 40, No. 4. pp. 495-510.

BibTeX

@article{a8c7e1943da343899460caef80a45d85,
title = "Raman study of 3.65 {\AA}-phase MgSi(OH)6 under high pressure and the bands assignment",
abstract = "3.65 {\AA}-phase (or hydroxide-perovskite), MgSi(OH)6, is a representative of dense hydrous magnesium silicates (DHMS) with maximum water content (up to ∼35 wt.% H2O) and thus is of interest as one of the largest repositories of water among all the known hydrous phases. Sample of 3.65 {\AA}-phase, grown in DIA-type multianvil apparatus, was studied by Raman spectroscopy under pressure up to ∼7 GPa with diamond anvil cell. Interpretation of the Raman spectrum was carried out using lattice-dynamical simulations within ab initio DFT method (CASTEP code). Additionally, OH-stretching bands are analyzed with two phenomenological models: empirical model by Novak and Libowitzky, using correlation between O–O distance and the wavenumber of the OH-stretching band, and theoretical model, using double Morse potentials of hydrogen bond O–H···O. Upon the pressure increase, octahedral and bending δ(ОН) vibrations exhibit linear positive pressure shift, whereas wavenumbers of the ОН-stretching modes show inverse pressure dependence.",
keywords = "3.65 {\AA}-phase, dense hydrous magnesium silicates, high pressure, Raman spectra, six-coordinated silicon, SYSTEM, DENSE, STABILITY, BEHAVIOR, VIBRATIONAL-SPECTRA, CRYSTAL-CHEMISTRY, 3.65 angstrom-phase, MGSIO3 PEROVSKITE, THAUMASITE, HYDROUS MAGNESIUM SILICATES, WATER",
author = "Ulyana Borodina and Sergey Goryainov and Aleksandr Oreshonkov and Anton Shatskiy and Sergey Rashchenko",
year = "2020",
month = oct,
day = "1",
doi = "10.1080/08957959.2020.1830078",
language = "English",
volume = "40",
pages = "495--510",
journal = "High Pressure Research",
issn = "0895-7959",
publisher = "Taylor and Francis Ltd.",
number = "4",

}

RIS

TY - JOUR

T1 - Raman study of 3.65 Å-phase MgSi(OH)6 under high pressure and the bands assignment

AU - Borodina, Ulyana

AU - Goryainov, Sergey

AU - Oreshonkov, Aleksandr

AU - Shatskiy, Anton

AU - Rashchenko, Sergey

PY - 2020/10/1

Y1 - 2020/10/1

N2 - 3.65 Å-phase (or hydroxide-perovskite), MgSi(OH)6, is a representative of dense hydrous magnesium silicates (DHMS) with maximum water content (up to ∼35 wt.% H2O) and thus is of interest as one of the largest repositories of water among all the known hydrous phases. Sample of 3.65 Å-phase, grown in DIA-type multianvil apparatus, was studied by Raman spectroscopy under pressure up to ∼7 GPa with diamond anvil cell. Interpretation of the Raman spectrum was carried out using lattice-dynamical simulations within ab initio DFT method (CASTEP code). Additionally, OH-stretching bands are analyzed with two phenomenological models: empirical model by Novak and Libowitzky, using correlation between O–O distance and the wavenumber of the OH-stretching band, and theoretical model, using double Morse potentials of hydrogen bond O–H···O. Upon the pressure increase, octahedral and bending δ(ОН) vibrations exhibit linear positive pressure shift, whereas wavenumbers of the ОН-stretching modes show inverse pressure dependence.

AB - 3.65 Å-phase (or hydroxide-perovskite), MgSi(OH)6, is a representative of dense hydrous magnesium silicates (DHMS) with maximum water content (up to ∼35 wt.% H2O) and thus is of interest as one of the largest repositories of water among all the known hydrous phases. Sample of 3.65 Å-phase, grown in DIA-type multianvil apparatus, was studied by Raman spectroscopy under pressure up to ∼7 GPa with diamond anvil cell. Interpretation of the Raman spectrum was carried out using lattice-dynamical simulations within ab initio DFT method (CASTEP code). Additionally, OH-stretching bands are analyzed with two phenomenological models: empirical model by Novak and Libowitzky, using correlation between O–O distance and the wavenumber of the OH-stretching band, and theoretical model, using double Morse potentials of hydrogen bond O–H···O. Upon the pressure increase, octahedral and bending δ(ОН) vibrations exhibit linear positive pressure shift, whereas wavenumbers of the ОН-stretching modes show inverse pressure dependence.

KW - 3.65 Å-phase

KW - dense hydrous magnesium silicates

KW - high pressure

KW - Raman spectra

KW - six-coordinated silicon

KW - SYSTEM

KW - DENSE

KW - STABILITY

KW - BEHAVIOR

KW - VIBRATIONAL-SPECTRA

KW - CRYSTAL-CHEMISTRY

KW - 3.65 angstrom-phase

KW - MGSIO3 PEROVSKITE

KW - THAUMASITE

KW - HYDROUS MAGNESIUM SILICATES

KW - WATER

UR - http://www.scopus.com/inward/record.url?scp=85092509473&partnerID=8YFLogxK

U2 - 10.1080/08957959.2020.1830078

DO - 10.1080/08957959.2020.1830078

M3 - Article

AN - SCOPUS:85092509473

VL - 40

SP - 495

EP - 510

JO - High Pressure Research

JF - High Pressure Research

SN - 0895-7959

IS - 4

ER -

ID: 25606247