Band
Title
128.5 cm-1: νT (A) of (CO3)2- & Ca2+ & Ba2+ and νLT (A) of (CO3)2- & Ca2+ in Alstonite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νT (A) A translation (CO3)2-
 Ca2+
 Ba2+ 		mode degeneracy double
νLT (A) A translation (CO3)2-
 Ca2+ 		mode degeneracy double
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)
128.5 ± 1.5 - 14 ± 3 asymmetric 0.35 s 295.0 1
Band assignment #1
Assignment
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 double
Primary specie
(CO3)2-
Primary specie
Ca2+
Primary specie
Ba2+

Phonon modes

Label (type)
νT (translation)
Comments
CO32− in-plane translation and Ca2+ and Ba2+ translation
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 double
Primary specie
(CO3)2-
Primary specie
Ca2+

Rotation modes

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

Phonon modes

Label (type)
νT (translation)
Comments
Ca2+ translation
Composition
natural

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
strongly blended
Peak
128.5 ± 1.5 cm-1 (peak)
Evaluation
validated
Quality
B
Comments
with strong shoulder at 122 cm-1
FWHM
14 ± 3 cm-1 (hwhm)
Shape
asymmetric
Evaluation
undefined
Quality
D
Method
baseline corrected peak intensity
Relative intensity
0.35 ± 0.05
Strength
strong (s)
Evaluation
undefined
Quality
D
Publication
External spectrum