Band
Title
70.5 cm-1: νT (B) of (CO3)2- & Ca2+ & Ba2+ and νL (A) of (CO3)2- in Barytocalcite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νT (B) B translation (CO3)2-
Ca2+
Ba2+
mode degeneracy double
νL (A) A libration (CO3)2- 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)
70.5 ± 1 - 9 ± 2 symmetric 0.035 w 295.0 1
Label
νT (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+
Primary specie
Ba2+

Phonon modes

Label (type)
νT (translation)
Comments
CO32- and Ca2+ and Ba2+ translations
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
mixed libration
Composition
natural

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
moderately blended
Peak
70.5 ± 1 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
9 ± 2 cm-1 (estimated)
Shape
symmetric
Evaluation
undefined
Quality
D
Method
estimated
Relative intensity
0.035 ± 0.015
Strength
weak (w)
Evaluation
undefined
Quality
E