- Title
- 79.0 cm-1: νT (A) of (CO3)2- & Ca2+ & Ba2+ and νLT (A) of (CO3)2- & Ca2+ and νL (B) of (CO3)2- in Alstonite
- Type
- Raman scattering
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| νT (A) | A | translation |
(CO3)2- Ca2+ Ba2+ |
mode degeneracy | triple | ||||
| νLT (A) | A | translation |
(CO3)2- Ca2+ |
mode degeneracy | triple | ||||
| νL (B) | B | libration | (CO3)2- | mode degeneracy | triple |
| Peak position (cm-1) |
Center position (cm-1) |
Width (cm-1) |
Shape | Asymmetry factor | Peak intensity (cm-1) |
Peak intensity relative | Peak strength | Integrated intensity (cm-2) |
Integrated intensity relative | Integrated strength | Temperature (K) |
Pressure (bar) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 79 ± 1 | - | 7.5 ± 1 | symmetric | 0.72 | vs | 295.0 | 1 |
- Label
- νT (A)
- Symmetry
- A
- Category
- phonon mode
Evaluation
- Level
- fully assigned
- Evaluation
- undefined
- Comments
- from WURM database
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | mode degeneracy | triple |
- Label (type)
- νT (translation)
- Comments
- CO32− in-plane translation and Ca2+ and Ba2+ translation
Phonon modes
- Label
- νLT (A)
- Symmetry
- A
- Category
- phonon mode
Evaluation
- Level
- fully assigned
- Evaluation
- undefined
- Comments
- from WURM database
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | mode degeneracy | triple |
- Label (type)
- νL (libration)
- Comments
- out-of-plane libration
- Label (type)
- νT (translation)
- Comments
- CO32− mixed translation and Ba2+ translation
Rotation modes
Phonon modes
- Label
- νL (B)
- Symmetry
- B
- Category
- rotation
Evaluation
- Level
- fully assigned
- Evaluation
- undefined
- Comments
- from WURM database
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | mode degeneracy | triple |
- Primary specie
- (CO3)2-
- Label (type)
- νL (libration)
- Comments
- in-plane libration
Rotation modes
- Composition
- natural
- Temperature
- 295.0 ± 5.0 K
Temperature
- Pressure
- 1 bar
Pressure
- Method #1
- various
- Overlap
- slightly blended
- Peak
- 79 ± 1 cm-1 (peak)
- Evaluation
- validated
- Quality
- B
- FWHM
- 7.5 ± 1 cm-1 (estimated)
- Shape
- symmetric
- Evaluation
- undefined
- Quality
- C
- Method
- baseline corrected peak intensity
- Relative intensity
- 0.72 ± 0.2
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- E