Band
Title
79.5 cm-1: νLT (Bg) of (HCO3)- & K⁺ and νT (Ag) of (HCO3)- & K⁺ in Kalicinite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νLT (Bg) Bg translation (HCO3)-
K⁺
no
νT (Ag) Ag 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)
79.5 ± 1 - 4.5 ± 0.5 unknown 0.55 s 295.0 1
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 and out-of-plane libration

Phonon modes

Label (type)
νT (translation)
Comments
K⁺ translation
Label
νT (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⁺

Phonon modes

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

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
slightly blended
Peak
79.5 ± 1 cm-1 (fit peak)
Evaluation
undefined
Quality
B
FWHM
4.5 ± 0.5 cm-1 (fwhm)
Shape
unknown
Evaluation
undefined
Quality
B
Method
baseline corrected peak intensity
Relative intensity
0.55 ± 0.25
Strength
strong (s)
Evaluation
undefined
Quality
E