#------------------------------------------------------------------------------
#$Date: 2017-11-07 14:10:34 +0200 (Tue, 07 Nov 2017) $
#$Revision: 294 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500038.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_3500038
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial BaSO4
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial Prolabo pur'
_chemical_formula_structural     'Ba SO4'
_chemical_formula_sum            'Ba O4 S'
_chemical_name_mineral           Barite
_chemical_name_systematic        Barite
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.884(4)
_cell_length_b                   5.458(3)
_cell_length_c                   7.153(3)
_cod_original_formula_sum        'Ba SO4'
_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.name   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 532
_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     39.56652
_raman_measurement.range_max     2999.762
_rod_data_source.file            BaSO4.rod
_rod_data_source.block           1000005
_rod_database.code               3500038
_solsa_sample.id                 CN-AA00-0027
_raman_measurement.datetime_initiated 2017-09-20
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 1000037 COD http://www.crystallography.net/cod/1000037.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
3.956652e+001 1.757065e+002
4.053076e+001 1.516071e+002
4.149499e+001 1.296676e+002
4.245922e+001 1.109916e+002
4.342346e+001 9.602251e+001
4.438769e+001 8.496218e+001
4.535192e+001 7.759866e+001
4.631615e+001 7.304146e+001
4.728039e+001 6.838501e+001
4.824462e+001 6.577171e+001
4.920885e+001 6.650051e+001
5.017309e+001 7.165071e+001
5.113732e+001 7.656616e+001
5.210155e+001 7.890298e+001
5.306579e+001 8.051213e+001
5.403002e+001 8.340788e+001
5.499426e+001 9.045596e+001
5.595849e+001 9.847359e+001
5.692272e+001 1.059911e+002
5.788696e+001 1.126738e+002
5.885119e+001 1.184262e+002
5.981542e+001 1.215634e+002
6.077966e+001 1.228268e+002
6.174389e+001 1.243964e+002
6.270812e+001 1.273955e+002
6.367236e+001 1.323416e+002
6.463659e+001 1.354948e+002
6.560082e+001 1.352105e+002
6.656505e+001 1.356759e+002
6.752928e+001 1.394961e+002
6.849352e+001 1.429217e+002
6.945775e+001 1.573963e+002
7.042198e+001 1.917376e+002
7.138622e+001 2.358091e+002
7.235045e+001 2.731889e+002
7.331468e+001 2.996636e+002
7.427892e+001 3.077831e+002
7.524315e+001 2.859350e+002
7.620738e+001 2.360870e+002
7.717162e+001 1.741676e+002
7.813585e+001 1.285057e+002
7.910008e+001 9.386218e+001
8.006432e+001 6.979594e+001
8.102855e+001 5.590522e+001
8.199278e+001 5.388345e+001
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8.392125e+001 5.620200e+001
8.488548e+001 5.945893e+001
8.584972e+001 6.415218e+001
8.681395e+001 7.287810e+001
8.777818e+001 7.986238e+001
8.874242e+001 8.576860e+001
8.970665e+001 9.039624e+001
9.067088e+001 9.294675e+001
9.163512e+001 8.957156e+001
9.259935e+001 8.566899e+001
9.356358e+001 8.306572e+001
9.452782e+001 8.238406e+001
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1.041702e+002 3.045928e+001
1.051344e+002 3.405327e+001
1.060986e+002 3.581311e+001
1.070629e+002 3.460405e+001
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1.089913e+002 2.693398e+001
1.099556e+002 2.164795e+001
1.109198e+002 1.786577e+001
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1.138125e+002 2.327725e+001
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1.157410e+002 2.554707e+001
1.167052e+002 2.524336e+001
1.176694e+002 2.421665e+001
1.186336e+002 2.322900e+001
1.195979e+002 2.409868e+001
1.205621e+002 2.639868e+001
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1.224906e+002 3.355737e+001
1.234548e+002 3.923000e+001
1.244190e+002 4.331267e+001
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1.273117e+002 4.656001e+001
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1.292402e+002 4.189863e+001
1.302044e+002 3.849795e+001
1.311687e+002 3.441055e+001
1.321329e+002 3.018906e+001
1.330971e+002 2.556326e+001
1.340614e+002 2.154377e+001
1.350256e+002 1.895898e+001
1.359898e+002 1.838706e+001
1.369541e+002 1.992749e+001
1.379183e+002 2.273547e+001
1.388825e+002 2.613115e+001
1.398468e+002 2.937429e+001
1.408110e+002 3.166536e+001
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1.437037e+002 3.261846e+001
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1.456322e+002 3.413425e+001
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1.485249e+002 4.706294e+001
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1.514176e+002 4.901831e+001
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