#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500120.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Raman Open Database (ROD),
# http://solsa.crystallography.net/rod/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_3500120
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial FeCl2
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial Alfa Aesar 98%'
_chemical_formula_structural     'Cl2 Fe'
_chemical_formula_sum            'Cl2 Fe'
_chemical_name_mineral           Lawrencite
_chemical_name_systematic        Lawrencite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.579
_cell_length_b                   3.579
_cell_length_c                   17.536
_raman_determination_method      experimental
_[local]_chemical_compound_color green
_[local]_chemical_compound_state Solid
_raman_measurement_device.location ENSICAEN
_raman_measurement_device.company 'Thermo Scientific'
_raman_measurement_device.model  DXR
_raman_measurement_device.optics_type microscope
_raman_measurement_device.microscope_system dispersive
_raman_measurement_device.microscope_objective_magnification 20
_raman_measurement_device.microscope_numerical_aperture 0.25
_raman_measurement_device.excitation_laser_type other
_raman_measurement_device.excitation_laser_wavelength 785
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 3
_raman_measurement_device.power_on_sample 1
_raman_measurement_device.direction_polarization unoriented
_raman_measurement_device.spot_size 1.3
_raman_measurement_device.diffraction_grating 900
_raman_measurement.environment   Air
_raman_measurement.environment_details
;
 The sample was measured in air.
;
_raman_measurement.temperature   300
_raman_measurement.pressure      100
_raman_measurement.background_subtraction no
_raman_measurement.background_subtraction_details
;
 No background subtraction method was applied.
;
_raman_measurement.baseline_correction no
_raman_measurement.baseline_correction_details
;
 No baseline correction method was applied.
;
_raman_measurement.integration_time 30
_raman_measurement.range_min     5.050586e+001
_raman_measurement.range_max     2.000186e+003
_rod_data_source.file            FeCl2.rod
_rod_data_source.block           1000005
_rod_database.code               3500120
_solsa_sample.id                 CN-AA00-0127
_raman_measurement.datetime_initiated 2017-10-10
loop_
_raman_complementary.id
_raman_complementary.method
1 EDX
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 neon_lamp
loop_
_rod_related_entry.id
_rod_related_entry.code
_rod_related_entry.database
_rod_related_entry.uri
_rod_related_entry.description
1 9009128 COD http://www.crystallography.net/cod/9009128.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.050586e+001 4.626132e+000
5.147009e+001 4.128342e+000
5.243433e+001 3.862606e+000
5.339856e+001 3.706647e+000
5.436279e+001 3.634374e+000
5.532703e+001 3.639683e+000
5.629126e+001 3.631818e+000
5.725549e+001 3.567228e+000
5.821973e+001 3.470697e+000
5.918396e+001 3.386705e+000
6.014819e+001 3.383049e+000
6.111243e+001 3.392065e+000
6.207666e+001 3.275274e+000
6.304089e+001 2.962804e+000
6.400513e+001 2.673779e+000
6.496936e+001 2.611633e+000
6.593359e+001 2.778878e+000
6.689783e+001 2.939294e+000
6.786206e+001 2.914926e+000
6.882629e+001 2.715549e+000
6.979053e+001 2.551968e+000
7.075476e+001 2.523314e+000
7.171899e+001 2.584572e+000
7.268323e+001 2.653193e+000
7.364746e+001 2.750439e+000
7.461169e+001 2.825603e+000
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7.654016e+001 2.513565e+000
7.750439e+001 2.266172e+000
7.846863e+001 2.261899e+000
7.943286e+001 2.504000e+000
8.039709e+001 2.740180e+000
8.136133e+001 2.857865e+000
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8.328979e+001 2.755664e+000
8.425403e+001 2.469190e+000
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8.618250e+001 1.847863e+000
8.714673e+001 1.705870e+000
8.811096e+001 1.689043e+000
8.907520e+001 1.871088e+000
9.003943e+001 2.315963e+000
9.100366e+001 2.746493e+000
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9.678906e+001 2.077000e+000
9.775330e+001 2.007801e+000
9.871753e+001 1.998796e+000
9.968176e+001 2.048242e+000
1.006460e+002 2.241187e+000
1.016102e+002 2.441360e+000
1.025745e+002 2.544535e+000
1.035387e+002 2.549202e+000
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1.305372e+002 2.197629e+000
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1.507861e+002 2.441735e+000
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