Band
Title
86.0 cm-1: νLT (A) of (CO3)2- and νLT (B) of (CO3)2- & Ca2+ & Ba2+ in Barytocalcite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νLT (A) A translation (CO3)2- mode degeneracy double
νLT (B) B translation (CO3)2-
 Ca2+
 Ba2+ 		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)
86 ± 1 - 9 ± 2 symmetric 0.02 w 295.0 1
Band assignment #1
Assignment
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-

Rotation modes

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

Phonon modes

Label (type)
νT (translation)
Comments
CO32- translation
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+
Primary specie
Ba2+

Rotation modes

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

Phonon modes

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

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
strongly blended
Peak
86 ± 1 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
9 ± 2 cm-1 (estimated)
Shape
symmetric
Evaluation
undefined
Quality
D
Method
estimated
Relative intensity
0.02 ± 0.01
Strength
weak (w)
Evaluation
undefined
Quality
E
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