#------------------------------------------------------------------------------
#$Date: 2018-01-29 12:22:08 +0200 (Mon, 29 Jan 2018) $
#$Revision: 365 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500109.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_3500109
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        'barium sulfate'
_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.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            BaSO4.rod
_rod_data_source.block           1000005
_rod_database.code               3500109
_solsa_sample.id                 CN-AA00-0117
_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 1000037 COD http://www.crystallography.net/cod/1000037.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.050586e+001 1.329167e+002
5.147009e+001 1.227980e+002
5.243433e+001 1.131485e+002
5.339856e+001 1.051754e+002
5.436279e+001 9.986225e+001
5.532703e+001 9.710835e+001
5.629126e+001 9.568602e+001
5.725549e+001 9.591853e+001
5.821973e+001 9.707295e+001
5.918396e+001 9.804418e+001
6.014819e+001 9.816917e+001
6.111243e+001 9.819224e+001
6.207666e+001 9.951278e+001
6.304089e+001 1.028355e+002
6.400513e+001 1.063313e+002
6.496936e+001 1.077472e+002
6.593359e+001 1.069089e+002
6.689783e+001 1.072618e+002
6.786206e+001 1.094443e+002
6.882629e+001 1.136271e+002
6.979053e+001 1.234692e+002
7.075476e+001 1.475113e+002
7.171899e+001 1.764534e+002
7.268323e+001 1.955784e+002
7.364746e+001 2.015215e+002
7.461169e+001 1.961667e+002
7.557593e+001 1.795819e+002
7.654016e+001 1.471135e+002
7.750439e+001 1.130349e+002
7.846863e+001 8.934108e+001
7.943286e+001 7.541448e+001
8.039709e+001 6.640690e+001
8.136133e+001 6.085830e+001
8.232556e+001 5.852644e+001
8.328979e+001 5.773140e+001
8.425403e+001 5.816829e+001
8.521826e+001 5.985854e+001
8.618250e+001 6.259090e+001
8.714673e+001 6.779044e+001
8.811096e+001 7.344125e+001
8.907520e+001 7.735493e+001
9.003943e+001 7.946948e+001
9.100366e+001 7.986157e+001
9.196790e+001 7.763069e+001
9.293213e+001 7.284881e+001
9.389636e+001 6.867229e+001
9.486060e+001 6.693884e+001
9.582483e+001 6.703516e+001
9.678906e+001 6.688029e+001
9.775330e+001 6.599879e+001
9.871753e+001 6.426767e+001
9.968176e+001 6.180819e+001
1.006460e+002 5.764838e+001
1.016102e+002 5.342019e+001
1.025745e+002 5.046024e+001
1.035387e+002 4.883912e+001
1.045029e+002 4.782177e+001
1.054672e+002 4.692764e+001
1.064314e+002 4.612111e+001
1.073956e+002 4.513289e+001
1.083599e+002 4.377941e+001
1.093241e+002 4.226617e+001
1.102883e+002 4.085316e+001
1.112526e+002 3.954054e+001
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1.131810e+002 3.823495e+001
1.141453e+002 3.945234e+001
1.151095e+002 4.053457e+001
1.160737e+002 4.040313e+001
1.170380e+002 3.927406e+001
1.180022e+002 3.835683e+001
1.189664e+002 3.855184e+001
1.199307e+002 4.009003e+001
1.208949e+002 4.160347e+001
1.218591e+002 4.304531e+001
1.228234e+002 4.448075e+001
1.237876e+002 4.609518e+001
1.247518e+002 4.797848e+001
1.257161e+002 4.983970e+001
1.266803e+002 5.104362e+001
1.276445e+002 5.149683e+001
1.286088e+002 5.138833e+001
1.295730e+002 5.073243e+001
1.305372e+002 4.954518e+001
1.315015e+002 4.772032e+001
1.324657e+002 4.501518e+001
1.334299e+002 4.134114e+001
1.343942e+002 3.898417e+001
1.353584e+002 3.841460e+001
1.363226e+002 3.847552e+001
1.372869e+002 3.876188e+001
1.382511e+002 3.914684e+001
1.392153e+002 3.951969e+001
1.401796e+002 3.972494e+001
1.411438e+002 3.939438e+001
1.421080e+002 3.951645e+001
1.430723e+002 4.009117e+001
1.440365e+002 4.112073e+001
1.450007e+002 4.271437e+001
1.459650e+002 4.499641e+001
1.469292e+002 4.776040e+001
1.478934e+002 4.990073e+001
1.488577e+002 5.098834e+001
1.498219e+002 5.170674e+001
1.507861e+002 5.230283e+001
1.517504e+002 5.265091e+001
1.527146e+002 5.245053e+001
1.536788e+002 5.128280e+001
1.546431e+002 4.890564e+001
1.556073e+002 4.669627e+001
1.565715e+002 4.452806e+001
1.575358e+002 4.260870e+001
1.585000e+002 4.117125e+001
1.594642e+002 4.031415e+001
1.604285e+002 3.964451e+001
1.613927e+002 3.849154e+001
1.623569e+002 3.657621e+001
1.633212e+002 3.482335e+001
1.642854e+002 3.344470e+001
1.652496e+002 3.240230e+001
1.662139e+002 3.167449e+001
1.671781e+002 3.133770e+001
1.681423e+002 3.131542e+001
1.691066e+002 3.140590e+001
1.700708e+002 3.172960e+001
1.710350e+002 3.199522e+001
1.719993e+002 3.192734e+001
1.729635e+002 3.150842e+001
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1.768204e+002 3.164024e+001
1.777847e+002 3.167693e+001
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1.797132e+002 3.211053e+001
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2.067117e+002 2.392748e+001
2.076759e+002 2.505981e+001
2.086402e+002 2.552304e+001
2.096044e+002 2.445503e+001
2.105686e+002 2.315461e+001
2.115329e+002 2.239478e+001
2.124971e+002 2.237921e+001
2.134613e+002 2.253362e+001
2.144256e+002 2.217702e+001
2.153898e+002 2.123249e+001
2.163540e+002 2.036599e+001
2.173183e+002 1.991699e+001
2.182825e+002 1.972796e+001
2.192467e+002 1.952747e+001
2.202110e+002 1.929551e+001
2.211752e+002 1.904970e+001
2.221394e+002 1.867459e+001
2.231037e+002 1.810890e+001
2.240679e+002 1.776506e+001
2.250321e+002 1.819064e+001
2.259964e+002 1.960361e+001
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2.317818e+002 1.794130e+001
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2.501022e+002 1.727156e+001
2.510664e+002 1.739959e+001
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2.578160e+002 1.604709e+001
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2.607087e+002 1.673316e+001
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2.645657e+002 1.441037e+001
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2.751722e+002 1.546073e+001
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2.780649e+002 1.511500e+001
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2.799934e+002 1.410963e+001
2.809576e+002 1.338843e+001
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2.838503e+002 1.455942e+001
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2.906000e+002 1.438422e+001
2.915642e+002 1.409698e+001
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2.934927e+002 1.319256e+001
2.944569e+002 1.273124e+001
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