Band
Title
470.0 cm-1: nuT (Eu) of Fe3+ & O2- in Hematite
Band type
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
nuT (Eu) Eu translation Fe3+
 O2- 		unknown full
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)
470 ± 12 - 45 ± 10 asymmetric 3 ± 2 0.66 vs 7.2e+05 ± 3.5e+05 vvs 298.0 1
Band assignment #1
Assignment
Label
nuT (Eu)
Symmetry
Eu
Category
phonon mode

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 unknown
Contribution level
full
Primary specie
Fe3+
Primary specie
O2-

Phonon modes

Label (type)
νT (translation)

Temperature

Temperature
298.0 ± 1.0 K

Pressure

Pressure
1 bar
Method #1
data compilation
Fit function
Lorentzian
Overlap
moderately blended
Peak
470 ± 12 cm-1 (peak)
Evaluation
validated
Quality
D
Comments
band is centered near 440-450 cm-1 for protohematite, and near 480 for well-crystalized hematite. See Chernyshova et al. (2007) for a review
FWHM
45 ± 10 cm-1 (fit fwhm)
Shape
asymmetric
Asymmetry factor
3 ± 2
Evaluation
validated
Quality
E
Comments
asymmetry can arise from splitting of the band into two components: one component near 440 cm-1 and another near 470 cm-1. Increase in the high frequency component, relative to the low frequency component has been shown to be correlated with an increase in the degree of crystallinity. See Chernyshova et al. (2007)
Method
baseline corrected peak intensity
Relative intensity
0.66 ± 0.2
Strength
very strong (vs)
Evaluation
validated
Quality
E
Method
width x peak intensity
Absorption coefficient
720000 ± 350000 cm-2
Strength
very very strong (vvs)
Evaluation
validated
Quality
E
Publications