#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500092.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_3500092
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial disodium peroxodisulfate
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Alfa aesar 98% 54100'
_chemical_formula_structural     'Na2 O8 S2'
_chemical_formula_sum            'Na2 O8 S2'
_chemical_name_mineral           'disodium peroxodisulfate'
_chemical_name_systematic        'Na2 O8 S2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.871(7)
_cell_angle_beta                 103.337(7)
_cell_angle_gamma                97.418(7)
_cell_formula_units_Z            1
_cell_length_a                   4.780(2)
_cell_length_b                   5.575(2)
_cell_length_c                   6.091(3)
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state Solid
_solsa_sample.id                 CN-AA00-0080
_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 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     9.916943e+001
_raman_measurement.range_max     3.500020e+003
_rod_data_source.file            Na2SO42.rod
_rod_data_source.block           1000005
_rod_database.code               3500092
_raman_measurement.datetime_initiated 2017-10-17
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 2208366 COD http://www.crystallography.net/cod/2208366.html
;
 The structure contains the XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
9.916943e+001 3.759386e+002
1.001337e+002 3.520033e+002
1.010979e+002 3.484636e+002
1.020621e+002 3.568842e+002
1.030264e+002 3.839324e+002
1.039906e+002 4.429796e+002
1.049548e+002 5.665767e+002
1.059191e+002 6.979894e+002
1.068833e+002 8.599071e+002
1.078475e+002 1.037447e+003
1.088118e+002 1.165147e+003
1.097760e+002 1.159170e+003
1.107402e+002 1.091430e+003
1.117045e+002 9.710062e+002
1.126687e+002 8.097728e+002
1.136329e+002 6.267093e+002
1.145972e+002 4.826065e+002
1.155614e+002 3.693373e+002
1.165256e+002 2.836916e+002
1.174899e+002 2.223170e+002
1.184541e+002 1.942446e+002
1.194183e+002 1.722445e+002
1.203826e+002 1.565149e+002
1.213468e+002 1.458968e+002
1.223110e+002 1.381090e+002
1.232753e+002 1.357906e+002
1.242395e+002 1.338944e+002
1.252037e+002 1.327647e+002
1.261680e+002 1.320005e+002
1.271322e+002 1.302578e+002
1.280964e+002 1.262885e+002
1.290607e+002 1.211508e+002
1.300249e+002 1.149489e+002
1.309891e+002 1.078055e+002
1.319534e+002 9.958639e+001
1.329176e+002 8.915813e+001
1.338818e+002 7.810691e+001
1.348461e+002 6.855013e+001
1.358103e+002 6.227070e+001
1.367745e+002 5.975515e+001
1.377388e+002 5.796234e+001
1.387030e+002 5.720862e+001
1.396672e+002 5.686323e+001
1.406315e+002 5.597128e+001
1.415957e+002 5.393256e+001
1.425599e+002 5.202338e+001
1.435242e+002 4.974452e+001
1.444884e+002 4.748960e+001
1.454526e+002 4.623326e+001
1.464169e+002 4.791484e+001
1.473811e+002 4.999928e+001
1.483453e+002 5.172533e+001
1.493096e+002 5.293369e+001
1.502738e+002 5.411723e+001
1.512380e+002 5.638320e+001
1.522023e+002 5.908059e+001
1.531665e+002 6.163512e+001
1.541307e+002 6.364635e+001
1.550950e+002 6.501054e+001
1.560592e+002 6.661369e+001
1.570234e+002 6.860155e+001
1.579877e+002 7.144434e+001
1.589519e+002 7.574398e+001
1.599161e+002 8.275060e+001
1.608804e+002 8.910561e+001
1.618446e+002 9.350564e+001
1.628088e+002 9.718260e+001
1.637731e+002 1.018808e+002
1.647373e+002 1.087441e+002
1.657015e+002 1.171908e+002
1.666658e+002 1.250582e+002
1.676300e+002 1.338889e+002
1.685942e+002 1.467341e+002
1.695585e+002 1.677571e+002
1.705227e+002 1.957370e+002
1.714869e+002 2.309732e+002
1.724512e+002 2.732730e+002
1.734154e+002 3.211931e+002
1.743796e+002 3.751029e+002
1.753439e+002 4.333968e+002
1.763081e+002 4.814602e+002
1.772723e+002 5.135003e+002
1.782366e+002 5.302104e+002
1.792008e+002 5.201256e+002
1.801650e+002 4.753232e+002
1.811293e+002 4.208772e+002
1.820935e+002 3.709883e+002
1.830577e+002 3.267962e+002
1.840220e+002 2.931797e+002
1.849862e+002 2.694154e+002
1.859504e+002 2.533545e+002
1.869147e+002 2.434646e+002
1.878789e+002 2.399375e+002
1.888431e+002 2.411255e+002
1.898074e+002 2.460931e+002
1.907716e+002 2.537480e+002
1.917358e+002 2.624915e+002
1.927000e+002 2.694326e+002
1.936643e+002 2.731880e+002
1.946285e+002 2.722009e+002
1.955927e+002 2.660900e+002
1.965570e+002 2.558419e+002
1.975212e+002 2.453523e+002
1.984854e+002 2.332104e+002
1.994497e+002 2.227852e+002
2.004139e+002 2.140105e+002
2.013781e+002 2.066526e+002
2.023424e+002 2.028209e+002
2.033066e+002 2.058381e+002
2.042708e+002 2.101123e+002
2.052351e+002 2.137381e+002
2.061993e+002 2.158479e+002
2.071635e+002 2.170280e+002
2.081278e+002 2.178302e+002
2.090920e+002 2.178382e+002
2.100562e+002 2.168392e+002
2.110205e+002 2.147020e+002
2.119847e+002 2.110769e+002
2.129489e+002 2.047164e+002
2.139132e+002 1.962270e+002
2.148774e+002 1.882333e+002
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2.544110e+002 2.160025e+002
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2.563394e+002 1.833470e+002
2.573037e+002 1.677671e+002
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2.611606e+002 1.214559e+002
2.621248e+002 1.121289e+002
2.630891e+002 1.030100e+002
2.640533e+002 9.528581e+001
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2.659818e+002 8.927242e+001
2.669460e+002 8.584944e+001
2.679102e+002 8.110854e+001
2.688745e+002 7.544684e+001
2.698387e+002 6.959768e+001
2.708029e+002 6.376439e+001
2.717672e+002 5.943837e+001
2.727314e+002 5.725498e+001
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2.756241e+002 5.226128e+001
2.765883e+002 4.926481e+001
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2.814095e+002 4.201904e+001
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3.209431e+002 4.060188e+001
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3.248000e+002 4.853215e+001
3.257643e+002 5.104185e+001
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3.296212e+002 6.719777e+001
3.305854e+002 7.468077e+001
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3.325139e+002 9.250669e+001
3.334781e+002 1.047517e+002
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3.382993e+002 2.210539e+002
3.392635e+002 2.627643e+002
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3.411920e+002 3.652975e+002
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