Liebermannite
KAlSi3O8
third-order Birch-Murnaghan · Cited · 2025
Why this differs from similar rows?
Cites Kawai and Tsuchiya (2013) static LDA first-principles calc, 0-200 GPa; sibling rows cite Mookherjee and Steinle-Neumann (2009) or Deng et al. (2011, GGA).
V₀
234
ų
Unit cell
K₀
205.070
GPa
Isothermal
K′
4.180
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 234 | 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 |
|---|---|
| K2O | 0.5 |
| Al2O3 | 0.5 |
| SiO2 | 3 |
Formula: KAlSi3O8
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- hollandite / hollandite-II
- Method
- first-principles DFT / ab initiofirst-principles calculations (LDA)
- Sample
- Kawai and Tsuchiya (2013) (0–200 GPa), static
Source
- Paper
- Seismic signature of the upper continental crust: Implications from the thermoe…
- Authors
- Dong Wang; Longyu Duan; Xin Deng; Wenzhong Wang; Zhongqing Wu
- DOI
- 10.2138/am-2024-9562
- Year
- 2025
- Journal
- American Mineralogist
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 1: Liebermannite, Kawai and Tsuchiya (2013) (0–200 GPa), first-principles calculations, static, V0 = 234.00 ų, K_T = 205.07 GPa, (∂K_T/∂P)_T = 4.18.