Band
Title
555.0 cm-1: nuT (Eu) of Fe3+ & O2- and nuT (A2u) of Fe3+ & O2- in Hematite
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
nuT (Eu) Eu translation Fe3+
O2-
unknown full
nuT (A2u) A2u 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)
555 ± 20 - 90 ± 30 asymmetric 2 ± 0.5 22660 ± 100 1 vvs 2.0e+06 ± 7.0e+05 vvs 298.0 1
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)
Label
nuT (A2u)
Symmetry
A2u
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
555 ± 20 cm-1 (peak)
Evaluation
validated
Quality
E
Comments
Band is centered near 530 cm-1 for protohematite, and near 545 for well-crystalized hematite. Highly sensitive to optical effects. Position shifts from high to low frequencies with reduction of grain size. Associated with a band near 630 cm-1 in protohematite and hydrohematite. See Chernyshova et al. (2007) for a review
FWHM
90 ± 30 cm-1 (extrapolated)
Shape
asymmetric
Asymmetry factor
2 ± 0.5
Evaluation
validated
Quality
E
Method
baseline corrected peak intensity
Absorption coefficient
22660 ± 100 cm-1
Relative intensity
1
Strength
very very strong (vvs)
Evaluation
validated
Quality
A
Method
width x peak intensity
Absorption coefficient
2000000 ± 700000 cm-2
Strength
very very strong (vvs)
Evaluation
validated
Quality
E