Phase D
Al1.53(2)Fe0.22(1)Si0.86(1)O6H3.33(9)
spin-crossover EOS · Original · 2022
Why this differs from similar rows?
Spin-crossover BM3+SC fit (0-53 GPa) with V0 free; sibling rows instead fix V0 to the beamline P02.2 or in-house ambient-volume measurements.
V₀
83.71
ų
Unit cell
K₀
161
GPa
Isothermal
K′
5.200
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 83.71 | 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 |
|---|---|
| Fe2O3 | 0.11 |
| Al2O3 | 0.765 |
| SiO2 | 0.86 |
| H2O | 1.665 |
Formula: Al1.53Fe0.22Si0.86O6H3.33
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- other / unspecified
- Method
- experiment (XRD / DAC / multianvil compression)single-crystal X-ray diffraction in DAC (synchrotron, He medium)
- Sample
- single crystal, this study (all data across Fe3+ spin crossover)
Source
- Paper
- Structure and compressibility of Fe-bearing Al-phase D
- Authors
- Giacomo Criniti; Takayuki Ishii; Alexander Kurnosov; Konstantin Glazyrin; Rachel J. Husband; Tiziana Boffa Ballaran
- DOI
- 10.2138/am-2022-8559
- Year
- 2022
- Journal
- American Mineralogist
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 2 (Spin-crossover EOS): BM3+SC, 0–53 GPa, V0 = 83.71(2) Å3, KT0 = 161(2) GPa, K'T0 = 5.2(2), with Δ0 = 14750, B0 = 627(6), δ = 2.5(2), b = c = –2, C/B = 4.73.
Additional notes
P range GPa
0–53
Delta0 cm-1
14750 (fixed)
B0
627(6)
delta
2.5(2)
b equals c
-2 (fixed)
C over B
4.73 (fixed)