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Phase Relations in CaSiO3 System up to 100 GPa and 2500 K. / Sagatova, D. N.; Shatskiy, A. F.; Sagatov, N. E. et al.

In: Geochemistry International, Vol. 59, No. 8, 08.2021, p. 791-800.

Research output: Contribution to journalArticlepeer-review

Harvard

Sagatova, DN, Shatskiy, AF, Sagatov, NE & Litasov, KD 2021, 'Phase Relations in CaSiO3 System up to 100 GPa and 2500 K', Geochemistry International, vol. 59, no. 8, pp. 791-800. https://doi.org/10.1134/S0016702921080073

APA

Sagatova, D. N., Shatskiy, A. F., Sagatov, N. E., & Litasov, K. D. (2021). Phase Relations in CaSiO3 System up to 100 GPa and 2500 K. Geochemistry International, 59(8), 791-800. https://doi.org/10.1134/S0016702921080073

Vancouver

Sagatova DN, Shatskiy AF, Sagatov NE, Litasov KD. Phase Relations in CaSiO3 System up to 100 GPa and 2500 K. Geochemistry International. 2021 Aug;59(8):791-800. doi: 10.1134/S0016702921080073

Author

Sagatova, D. N. ; Shatskiy, A. F. ; Sagatov, N. E. et al. / Phase Relations in CaSiO3 System up to 100 GPa and 2500 K. In: Geochemistry International. 2021 ; Vol. 59, No. 8. pp. 791-800.

BibTeX

@article{71340e14a9f64f64931f81dd0f3e178e,
title = "Phase Relations in CaSiO3 System up to 100 GPa and 2500 K",
abstract = "Phase relations in one of the key petrological systems, CaSiO3, have been comprehensively investigated for the first time in the pressure range 0–100 GPa and temperatures 0–2500 K within the density functional theory using the method of lattice dynamics in the quasi-harmonic approximation. The results showed that at atmospheric pressure and 0 K CaSiO3 is stable in the wollastonite structure, which above 1250 K transforms to the high-temperature pseudowollastonite modification. Above a pressure of 4 GPa, CaSiO3 is stable in the breyite structure. The phase equilibrium curve has a negative slope of dP/dT = –0.6 MPa/K. At 8 GPa, CaSiO3 decomposes into an assemblage of Ca2SiO4-larnite and titanite-structured CaSi2O5. The phase equilibrium curve has a positive slope of dP/dT = 1.35 MPa/K. At a pressure of 13 GPa, Ca2SiO4-larnite reacts with CaSi2O5, forming a phase with a perovskite-like structure – CaSiO3-perovskite. The pressure of this phase transition is practically independent of temperature. In the low-temperature region, Ca-perovskite is stable in the tetragonal modification CaSiO3-I4/mcm. Above 340 K at 13 GPa, Ca-perovskite is stable in the cubic modification CaSiO3-$$Pm\bar {3}m.$$ The phase transition temperature increases to 755 K with pressure increase to 100 GPa. The thermodynamic parameters were also calculated for the first time for wollastonite, pseudowollastonite, and titanite-structured CaSi2O5.",
keywords = "breyite, density functional theory, larnite, mantle, perovskite, quasi-harmonic approximation, wollastonite",
author = "Sagatova, {D. N.} and Shatskiy, {A. F.} and Sagatov, {N. E.} and Litasov, {K. D.}",
note = "Publisher Copyright: {\textcopyright} 2021, Pleiades Publishing, Ltd.",
year = "2021",
month = aug,
doi = "10.1134/S0016702921080073",
language = "English",
volume = "59",
pages = "791--800",
journal = "Geochemistry International",
issn = "0016-7029",
publisher = "PLEIADES PUBLISHING INC",
number = "8",

}

RIS

TY - JOUR

T1 - Phase Relations in CaSiO3 System up to 100 GPa and 2500 K

AU - Sagatova, D. N.

AU - Shatskiy, A. F.

AU - Sagatov, N. E.

AU - Litasov, K. D.

N1 - Publisher Copyright: © 2021, Pleiades Publishing, Ltd.

PY - 2021/8

Y1 - 2021/8

N2 - Phase relations in one of the key petrological systems, CaSiO3, have been comprehensively investigated for the first time in the pressure range 0–100 GPa and temperatures 0–2500 K within the density functional theory using the method of lattice dynamics in the quasi-harmonic approximation. The results showed that at atmospheric pressure and 0 K CaSiO3 is stable in the wollastonite structure, which above 1250 K transforms to the high-temperature pseudowollastonite modification. Above a pressure of 4 GPa, CaSiO3 is stable in the breyite structure. The phase equilibrium curve has a negative slope of dP/dT = –0.6 MPa/K. At 8 GPa, CaSiO3 decomposes into an assemblage of Ca2SiO4-larnite and titanite-structured CaSi2O5. The phase equilibrium curve has a positive slope of dP/dT = 1.35 MPa/K. At a pressure of 13 GPa, Ca2SiO4-larnite reacts with CaSi2O5, forming a phase with a perovskite-like structure – CaSiO3-perovskite. The pressure of this phase transition is practically independent of temperature. In the low-temperature region, Ca-perovskite is stable in the tetragonal modification CaSiO3-I4/mcm. Above 340 K at 13 GPa, Ca-perovskite is stable in the cubic modification CaSiO3-$$Pm\bar {3}m.$$ The phase transition temperature increases to 755 K with pressure increase to 100 GPa. The thermodynamic parameters were also calculated for the first time for wollastonite, pseudowollastonite, and titanite-structured CaSi2O5.

AB - Phase relations in one of the key petrological systems, CaSiO3, have been comprehensively investigated for the first time in the pressure range 0–100 GPa and temperatures 0–2500 K within the density functional theory using the method of lattice dynamics in the quasi-harmonic approximation. The results showed that at atmospheric pressure and 0 K CaSiO3 is stable in the wollastonite structure, which above 1250 K transforms to the high-temperature pseudowollastonite modification. Above a pressure of 4 GPa, CaSiO3 is stable in the breyite structure. The phase equilibrium curve has a negative slope of dP/dT = –0.6 MPa/K. At 8 GPa, CaSiO3 decomposes into an assemblage of Ca2SiO4-larnite and titanite-structured CaSi2O5. The phase equilibrium curve has a positive slope of dP/dT = 1.35 MPa/K. At a pressure of 13 GPa, Ca2SiO4-larnite reacts with CaSi2O5, forming a phase with a perovskite-like structure – CaSiO3-perovskite. The pressure of this phase transition is practically independent of temperature. In the low-temperature region, Ca-perovskite is stable in the tetragonal modification CaSiO3-I4/mcm. Above 340 K at 13 GPa, Ca-perovskite is stable in the cubic modification CaSiO3-$$Pm\bar {3}m.$$ The phase transition temperature increases to 755 K with pressure increase to 100 GPa. The thermodynamic parameters were also calculated for the first time for wollastonite, pseudowollastonite, and titanite-structured CaSi2O5.

KW - breyite

KW - density functional theory

KW - larnite

KW - mantle

KW - perovskite

KW - quasi-harmonic approximation

KW - wollastonite

UR - http://www.scopus.com/inward/record.url?scp=85111166486&partnerID=8YFLogxK

U2 - 10.1134/S0016702921080073

DO - 10.1134/S0016702921080073

M3 - Article

AN - SCOPUS:85111166486

VL - 59

SP - 791

EP - 800

JO - Geochemistry International

JF - Geochemistry International

SN - 0016-7029

IS - 8

ER -

ID: 29292673