Akimotoite
MgSiO3
third-order Birch-Murnaghan · Original · 2000
V₀
252.75
ų
Unit cell
K₀
224
GPa
Isothermal
K′
4.180
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 252.75 | 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 |
|---|---|
| MgO | 1 |
| SiO2 | 1 |
Formula: MgSiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- ilmenite (akimotoite)
- Method
- molecular dynamicsab initio variable cell-shape molecular dynamics (DFT-LDA, static/athermal)
- Sample
- ab initio calculated P-V results up to 40 GPa
Source
- Paper
- Ab initio structure of MgSiO 3 ilmenite at high pressure
- Authors
- Bijaya B. Karki; Wenhui Duan; C.R.S. da Silva; Renata M. Wentzcovitch
- DOI
- 10.2138/am-2000-2-309
- Year
- 2000
- Journal
- American Mineralogist
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
The calculated pressure-volume results of MgSiO3-ilmenite up to 40 GPa are fit to the third order Birch-Murnaghan equation of state ... This yields V0 = 252.75 Å3, KT0 = 224 GPa and KT'0 = 4.18
Additional notes
lower mantle relevance
MgSiO3-ilmenite is potentially important in cold (subduction) environments in the transition zone and uppermost part of the lower mantle
polyhedral bulk moduli BM3
SiO6: 338 GPa with KT'0 = 5.05; MgO6: 172 GPa with KT'0 = 3.96
axial compressibilities zero pressure
ka ~ 0.0013 /GPa, kc ~ 0.0019 /GPa