Band
Title
150.0 cm-1: νL (A) of (CO3)2- and νLT (B) of (CO3)2- & Ca2+ in Alstonite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νL (A) A libration (CO3)2- mode degeneracy double
νLT (B) B 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)
150 ± 1 - 14 ± 3 shoulder 0.45 s 295.0 1
Label
νL (A)
Symmetry
A
Category
rotation

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
from WURM database
# Multiplicity type Degeneracy Other band
1 mode degeneracy double

Rotation modes

Label (type)
νL (libration)
Comments
out-of-plane libration
Label
νLT (B)
Symmetry
B
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
in-plane libration

Phonon modes

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

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
shoulder-tail
Peak
150 ± 1 cm-1 (peak)
Evaluation
validated
Quality
B
FWHM
14 ± 3 cm-1 (estimated)
Shape
shoulder
Evaluation
undefined
Quality
D
Method
baseline corrected peak intensity
Relative intensity
0.45 ± 0.3
Strength
strong (s)
Evaluation
undefined
Quality
E