Post-perovskite
CaIrO3
third-order Birch-Murnaghan · Original · 2007
V₀
226.38
ų
Unit cell
K₀
181
GPa
Isothermal
K′
2.300
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 226.38 | 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
CaIrO3
Conditions & method
- Tref
- —
- Pref
- 0.000 GPa
- Structure
- post-perovskite (CaIrO3-type, Cmcm)
- Method
- experiment (XRD / DAC / multianvil compression)high-pressure single-crystal X-ray diffraction in diamond anvil cell (compression to ~7.8 GPa, methanol:ethanol medium, ruby pressure standard)
- Sample
- single crystal (170×70×50 μm) synthesized at 1435 °C and 1 GPa
Source
- Paper
- Equations of state of CaIrO3 perovskite and post-perovskite phases
- Authors
- Tiziana Boffa Ballaran; Reidar G. Trønnes; D. J. Frost
- DOI
- 10.2138/am.2007.2715
- Year
- 2007
- Journal
- American Mineralogist
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
A third-order Birch Murnaghan equation of state has been used to fit the measured P-V data with the following refined parameters: ... V0 = 226.38(1) Å3, K0 = 181(3) GPa, K' = 2.3(8) for CaIrO3 ... post-perovskite ... Table 2: V0 (Å3) 226.38(1); K0 (GPa) 181(3); K' 2.3(8). Table 1 ambient row (Cmcm): 0.00010(1) GPa, V = 226.376(12) Å3.
Additional notes
axial BM3 parameters
{
"a0_A": "3.1454(1)",
"K0_a_GPa": "228(5)",
"Kp_a": "4(1)",
"beta0a_GPa-1": "0.00146",
"b0_A": "9.8619(3)",
"K0_b_GPa": "124(2)",
"Kp_b": "0.9(5)",
"beta0b_GPa-1": "0.00269",
"c0_A": "7.2979(1)",
"K0_c_GPa": "243(4)",
"Kp_c": "5(1)",
"beta0c_GPa-1": "0.00137"
}
F-f fit
FE = 181(2) - 433(214)fE
fitting software
Eosfit52 program (Angel 2002)
note
CaIrO3 post-perovskite is a low-pressure structural analogue for MgSiO3 post-perovskite in the lowermost mantle (D" layer); minor Ca(OH)2 detected in run products