Phase D
Mg1.14Si1.73H2.81O6
Birch-Murnaghan (order unspecified) · Original · 2016
V₀
85.201
ų
Unit cell
K₀
—
K′
—
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 85.201 | 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 | 1.14 |
| SiO2 | 1.73 |
| H2O | 1.405 |
Formula: Mg1.14Si1.73H2.81O6
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- other / unspecified
- Method
- experiment (XRD / DAC / multianvil compression)in situ high-pressure single-crystal X-ray diffraction in diamond anvil cell (Ne pressure medium, Pt pressure calibrant)
- Sample
- single crystal 5K2321 (FeAl-free phase D)
Source
- Paper
- Two‐stage spin transition of iron in FeAl‐bearing phase D at lower mantle
- Authors
- Xiang Wu; Ye Wu; Jung‐Fu Lin; Jin Liu; Zhu Mao; Xinzhuan Guo; Takashi Yoshino; Catherine McCammon; Vitali B. Prakapenka; Yuming Xiao
- DOI
- 10.1002/2016jb013209
- Year
- 2016
- Journal
- Journal of Geophysical Research Solid Earth
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
The crystal structure at ambient conditions was determined to be hexagonal phase (P3m and Z = 1) with lattice constants ... a = 4.7533(2) Å, c = 4.3545(5) Å, and V = 85.201(8) ų for FeAl-free phase D ... the FeAl-free sample was compressed up to 79 GPa in run 3 ... We used the Birch-Murnaghan equation of state to describe the P-V relationship ... where all parameters are summarized in Table S4.
Additional notes
lattice constants
a = 4.7533(2) Å, c = 4.3545(5) Å
water content
~14.4 wt % (estimated from mass and charge balance from EMPA)
note
Fitted K0 and K' values are summarized in Table S4 (supporting information), not reproduced in the main text; unit-cell volume monotonously decreases with increasing pressure (no spin transition)