- Type
- Raman scattering
- Assignments summary
- Characteristics summary
Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
---|---|---|---|---|---|---|---|---|---|
νL,T (B1g) | B1g | translation |
(CO3)2- Ca2+ |
no |
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) |
---|---|---|---|---|---|---|---|---|---|---|---|---|
207 ± 1 | - | - | unknown | 9.0e-04 | ew | 0.002 | ew | 295.0 | 1 | |||
211 ± 1 | - | 4 ± 1 | unknown | 6.0e-04 | ew | 0.001 | ew | 80.0 |
- Label
- νL,T (B1g)
- Symmetry
- B1g
- Category
- phonon mode
Evaluation
- Level
- fully assigned
- Evaluation
- validated
# | Multiplicity type | Degeneracy | Other band |
---|---|---|---|
1 | no |
- Label (type)
- νL (libration)
- Comments
- CO32− in-plane libration
- Label (type)
- νT (translation)
- Comments
- Ca2+ translation + CO32− in-plane translation
Rotation modes
Phonon modes
- Texture
- single crystals and powders
- Temperature
- 295.0 ± 5.0 K
Temperature
- Pressure
- 1 bar
Pressure
- Laser wavelength
- 514.5 nm
- Sample orientation mode
- unoriented
- Method #1
- theory
- Overlap
- unknown
- Peak
- 207 ± 1 cm-1 (fit peak)
- Evaluation
- undefined
- Quality
- B
- Shape
- unknown
- Quality
- undefined
- Method
- extrapolated
- Relative intensity
- 9.0e-04 ± 3.0e-04
- Strength
- extremely weak (ew)
- Evaluation
- undefined
- Quality
- E
- Comments
- estimated: width 80K * 2.2
- Method
- extrapolated
- Relative intensity
- 0.002 ± 0.001
- Strength
- extremely weak (ew)
- Evaluation
- undefined
- Quality
- E
- Texture
- single crystals and powders
- Temperature
- 80.0 ± 5.0 K
Temperature
- Laser wavelength
- 514.5 nm
- Sample orientation mode
- unoriented
- Method #1
- spectrum fit
- Fit function
- Voigt
- Overlap
- isolated
- Peak
- 211 ± 1 cm-1 (fit peak)
- Evaluation
- validated
- Quality
- B
- FWHM
- 4 ± 1 cm-1 (fit fwhm)
- Shape
- unknown
- Evaluation
- validated
- Quality
- C
- Method
- extrapolated
- Relative intensity
- 6.0e-04 ± 3.0e-04
- Strength
- extremely weak (ew)
- Evaluation
- undefined
- Quality
- E
- Comments
- estimated: width 80K * 21.5
- Method
- fit integrated intensity
- Relative intensity
- 0.001 ± 0.001
- Strength
- extremely weak (ew)
- Evaluation
- undefined
- Quality
- E