#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500158.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_3500158
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial BaC4O4
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Aldrich 97%'
_chemical_formula_structural     'Ba (C4 O4)'
_chemical_formula_sum            'C4 Ba O4'
_chemical_name_mineral           BaC4O4
_chemical_name_systematic        BaC4O4
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3595
_cell_length_b                   6.3595
_cell_length_c                   12.4077
_cod_original_formula_sum        'Ba (C4 O4)'
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[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            BaC4O4.rod
_rod_data_source.block           1000005
_solsa_sample.id                 CN-AA00-0099
_raman_measurement.datetime_initiated 2017-10-10
_rod_database.code               3500158
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 1536806 COD http://www.crystallography.net/cod/1536806.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.050586e+001 1.776317e+002
5.147009e+001 1.889157e+002
5.243433e+001 1.950013e+002
5.339856e+001 1.963021e+002
5.436279e+001 1.909417e+002
5.532703e+001 1.793667e+002
5.629126e+001 1.684366e+002
5.725549e+001 1.619064e+002
5.821973e+001 1.574544e+002
5.918396e+001 1.514599e+002
6.014819e+001 1.416780e+002
6.111243e+001 1.304558e+002
6.207666e+001 1.210513e+002
6.304089e+001 1.130027e+002
6.400513e+001 1.080268e+002
6.496936e+001 1.070204e+002
6.593359e+001 1.097083e+002
6.689783e+001 1.156403e+002
6.786206e+001 1.245727e+002
6.882629e+001 1.365201e+002
6.979053e+001 1.515756e+002
7.075476e+001 1.722697e+002
7.171899e+001 1.957967e+002
7.268323e+001 2.175511e+002
7.364746e+001 2.388393e+002
7.461169e+001 2.572197e+002
7.557593e+001 2.689509e+002
7.654016e+001 2.733109e+002
7.750439e+001 2.716641e+002
7.846863e+001 2.648817e+002
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8.039709e+001 2.398268e+002
8.136133e+001 2.247292e+002
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8.521826e+001 1.627937e+002
8.618250e+001 1.513836e+002
8.714673e+001 1.419177e+002
8.811096e+001 1.356100e+002
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9.775330e+001 2.186084e+002
9.871753e+001 2.114713e+002
9.968176e+001 2.037956e+002
1.006460e+002 1.939839e+002
1.016102e+002 1.847179e+002
1.025745e+002 1.778935e+002
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1.276445e+002 2.565456e+002
1.286088e+002 2.554971e+002
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1.305372e+002 2.542371e+002
1.315015e+002 2.556947e+002
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1.507861e+002 2.466403e+002
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1.585000e+002 2.404343e+002
1.594642e+002 2.315553e+002
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1.642854e+002 2.047474e+002
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2.182825e+002 1.429762e+002
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2.211752e+002 1.398121e+002
2.221394e+002 1.353977e+002
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2.279248e+002 9.787220e+001
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