Band
Title
35.0 cm-1: νLT (Ag) of (HCO3)- & K⁺ and νLT (Bg) of (HCO3)- & K⁺ in Kalicinite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νLT (Ag) Ag translation (HCO3)-
 K⁺ 		no
νLT (Bg) Bg translation (HCO3)-
 K⁺ 		no
Characteristics summary
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)
35 ± 1 - 6 ± 0.5 unknown 0.26 s 295.0 1
Band assignment #1
Assignment
Label
νLT (Ag)
Symmetry
Ag
Category
phonon mode

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
from theoretical WURM database
# Multiplicity type Degeneracy Other band
1 no
Primary specie
(HCO3)-
Primary specie
K⁺

Rotation modes

Label (type)
νL (libration)
Comments
out-of-plane libration

Phonon modes

Label (type)
νT (translation)
Comments
K⁺ translation
Label
νLT (Bg)
Symmetry
Bg
Category
phonon mode

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
from theoretical WURM database
# Multiplicity type Degeneracy Other band
1 no
Primary specie
(HCO3)-
Primary specie
K⁺

Rotation modes

Label (type)
νL (libration)
Comments
in-plane libration

Phonon modes

Label (type)
νT (translation)
Comments
HCO3^− in-plane translation + K⁺ translation
Texture
crystal

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Laser wavelength
633.0 nm
Sample orientation mode
unoriented
Method #1
various
Overlap
slightly blended
Peak
35 ± 1 cm-1 (fit peak)
Evaluation
undefined
Quality
B
FWHM
6 ± 0.5 cm-1 (fwhm)
Shape
unknown
Evaluation
undefined
Quality
B
Method
baseline corrected peak intensity
Relative intensity
0.26 ± 0.1
Strength
strong (s)
Evaluation
undefined
Quality
E
Publication