- 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) |
---|---|---|---|---|---|---|---|---|---|---|---|---|
114 ± 2 | - | 8.5 ± 1 | symmetric | 0.006 | vw | 0.033 | w | 295.0 | 1 | |||
117.5 ± 1 | - | 4 ± 0.5 | symmetric | 0.011 | vw | 0.03 | w | 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− 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
- various
- Overlap
- isolated
- Peak
- 114 ± 2 cm-1 (various)
- Evaluation
- validated
- Quality
- B
- FWHM
- 8.5 ± 1 cm-1 (fit fwhm)
- Shape
- symmetric
- Evaluation
- validated
- Quality
- C
- Method
- various
- Relative intensity
- 0.006 ± 0.0025
- Strength
- very weak (vw)
- Evaluation
- undefined
- Quality
- E
- Method
- various
- Relative intensity
- 0.033 ± 0.001
- Strength
- weak (w)
- Evaluation
- undefined
- Quality
- B
- 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
- 117.5 ± 1 cm-1 (fit peak)
- Evaluation
- validated
- Quality
- B
- FWHM
- 4 ± 0.5 cm-1 (fit fwhm)
- Shape
- symmetric
- Evaluation
- validated
- Quality
- B
- Method
- other
- Relative intensity
- 0.011 ± 0.001
- Strength
- very weak (vw)
- Evaluation
- undefined
- Quality
- C
- Method
- fit integrated intensity
- Relative intensity
- 0.03 ± 0.001
- Strength
- weak (w)
- Evaluation
- undefined
- Quality
- B