Thermal equation of state of post-aragonite CaCO3-Pmmn
10.2138/am-2020-7279 · 2020 · American Mineralogist
Mingda Lv; Jiachao Liu; Eran Greenberg; Vitali B. Prakapenka; Susannah M. Dorfman
16 EOS records from this paper
| Phase | Composition | Tref | V₀ | K₀ (GPa) | K′ | EOS model | Method note | Origin | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| post-aragonite CaCO3-Pmmn |
|
300 K | 96.6 ų Unit cell |
162 | 3.100 | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: This study's unconstrained BM3 fit to 300 K P-V data (Table 1), all parameters free; other rows in this group fix V0 to DFT, use a 50 GPa reference pressure, or are P-V-T fits. | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
300 K | 97.76 ų Unit cell |
146.700 | 3.400 | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: This study's 300 K fit with V0 fixed to the DFT-LDA value of Marcondes et al. (2016); other rows are unconstrained, use a different reference pressure, or are P-V-T fits. | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
300 K | 77.526 ų Unit cell |
302 | 2.100 | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: This study's 300 K fit referenced to 50 GPa rather than zero pressure (K50, K'50, V50); not zero-pressure parameters, unlike the other rows in this group. | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
300 K | 99.4 ų Unit cell |
118 | 4 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 row re-analyzing Ono et al. (2005) data (NaCl medium) under the Pt pressure scale of Fei et al. (2007), K' fixed to 4; sibling row re-analyzes Lobanov et al. (2017) data. | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
300 K | 97.3 ų Unit cell |
135 | 4 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 row re-analyzing Lobanov et al. (2017) data (no pressure medium) under the Pt pressure scale of Fei et al. (2007), K' fixed to 4; sibling row re-analyzes Ono et al. (2005) data. | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
— | 109.74 ų Unit cell |
65.400 | 4.940 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 row citing Oganov et al. (2006) DFT-GGA 0 K results; sibling row cites a different original study/method (Marcondes et al. 2016, DFT-LDA). | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
— | 97.76 ų Unit cell |
122 | 3.732 | third-order Birch-Murnaghan | — | Cited | ||||||
| Why this differs from similar rows: Table 1 row citing Marcondes et al. (2016) DFT-LDA 0 K results; sibling row cites a different original study/method (Oganov et al. 2006, DFT-GGA). | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
300 K | 97.76 ų Unit cell |
146.700 | 3.400 | third-order Birch-Murnaghan | — | Original | ||||||
| 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. | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
300 K | 97.76 ų Unit cell |
146 | 3.400 | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: This study's P-V-T fit (Table 2, row 2, 'HT-BM3') with only V0 fixed to 97.76 A3, letting K0 and K' vary in the joint fit; other rows fix additional/different parameters. | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
300 K | 97.76 ų Unit cell |
151 | 3.200 | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: This study's P-V-T fit (Table 2, row 3, MGD) with V0 and theta0 both fixed; other rows fix a different set of parameters (only V0, or additionally q=1). | ||||||||||||||
| post-aragonite CaCO3-Pmmn |
|
300 K | 97.76 ų Unit cell |
146.700 | 3.400 | third-order Birch-Murnaghan | — | Original | ||||||
| Why this differs from similar rows: This study's P-V-T fit (Table 2, row 4, MGD with q fixed to 1) to test the gamma0-q tradeoff; other rows fix a different set of parameters (without fixing q). | ||||||||||||||
| aragonite-structured CaCO3 (CaCO3-Pnma) |
|
— | 227.11 ų Unit cell |
67 | 4.740 | Mie-Grüneisen-Debye / thermal EOS | — | Cited | ||||||
| Bridgmanite |
|
— | 162.4 ų Unit cell |
251 | 4.100 | Mie-Grüneisen-Debye / thermal EOS | — | Cited | ||||||
| Bridgmanite |
|
— | 169.31 ų Unit cell |
272 | 4.100 | Mie-Grüneisen-Debye / thermal EOS | — | Cited | ||||||
| Davemaoite |
|
— | 45.58 ų Unit cell |
236 | 3.900 | Mie-Grüneisen-Debye / thermal EOS | — | Cited | ||||||
| Stishovite |
|
— | 46.56 ų Unit cell |
314 | 3.800 | Mie-Grüneisen-Debye / thermal EOS | — | Cited | ||||||