post-aragonite CaCO3-Pmmn
CaCO3
third-order Birch-Murnaghan · Original · 2020
Why this differs from similar rows?
This study's P-V-T fit (Table 2, row 1) with all static (300 K) parameters fixed from the earlier BM3 fit with V0 fixed to DFT; other rows fix a different subset of parameters.
V₀
97.76
ų
Unit cell
K₀
146.700
GPa
Isothermal
K′
3.400
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 97.76 | ų | Unit cell | — |
Reported value and unit are preserved as extracted. Z (formula units per cell) is not stored yet, so molar ↔ ų/f.u. conversion is not applied automatically.
Composition
| Oxide | Molar |
|---|---|
| CaO | 1 |
| CO2 | 1 |
Formula: CaCO3
Conditions & method
- Tref
- 300 K
- Pref
- —
- Structure
- other / unspecified
- Method
- experiment (XRD / DAC / multianvil compression)synchrotron XRD with in situ laser heating (LHDAC, PM: Ne), Au pressure scale (Fei et al. 2007), up to 75 GPa and 2200 K
- Sample
- This study, P-V-T fit, Table 2 row 1 (static parameters fixed from 300 K BM3 fit)
Source
- Paper
- Thermal equation of state of post-aragonite CaCO3-Pmmn
- Authors
- Mingda Lv; Jiachao Liu; Eran Greenberg; Vitali B. Prakapenka; Susannah M. Dorfman
- DOI
- 10.2138/am-2020-7279
- Year
- 2020
- Journal
- American Mineralogist
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 2: CaCO3-Pmmn (This study): V0 = 97.76e, KT0 = 146.7(19)e, K'0 = 3.4(1)e, dKT/dT = -0.021(1), a0 = 4.3(3), a1 = 0.8(2), θ0 = 631e, γ0 = 1.94(2), q = 1.9(3); footnote e: Fixed during fitting.
Additional notes
dKT dT
-0.021(±0.001) GPa/K
a0
4.3(±0.3)×10-5 K-1
a1
0.8(±0.2)×10-8 K-2
theta0
631 K (fixed, from ab initio-based estimate)
gamma0
1.94(±0.02)
q
1.9(±0.3)