#------------------------------------------------------------------------------
#$Date: 2017-11-07 14:10:34 +0200 (Tue, 07 Nov 2017) $
#$Revision: 294 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500091.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_3500091
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial anhydrous sodium thiosulphate
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source
'commercial powder Sigma Aldrich 99% 21,726-3'
_chemical_formula_structural     'Na2 O3 S2'
_chemical_formula_sum            'Na2 O3 S2'
_chemical_name_mineral           'anhydrous sodium thiosulphate'
_chemical_name_systematic        'Na2 (S2 O3)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.07
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.5
_cell_length_b                   8.12
_cell_length_c                   8.52
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state Solid
_solsa_sample.id                 CN-AA00-0081
_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     9.916943e+001
_raman_measurement.range_max     3.500020e+003
_rod_data_source.file            Na2S2O3.rod
_rod_data_source.block           1000005
_rod_database.code               3500091
_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 2310480 COD http://www.crystallography.net/cod/2310480.html
;
 The structure contains the XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
9.916943e+001 6.845447e+002
1.001337e+002 6.798049e+002
1.010979e+002 6.741763e+002
1.020621e+002 6.665106e+002
1.030264e+002 6.582253e+002
1.039906e+002 6.521459e+002
1.049548e+002 6.490553e+002
1.059191e+002 6.471149e+002
1.068833e+002 6.467987e+002
1.078475e+002 6.483663e+002
1.088118e+002 6.518820e+002
1.097760e+002 6.605040e+002
1.107402e+002 6.690704e+002
1.117045e+002 6.749235e+002
1.126687e+002 6.761732e+002
1.136329e+002 6.717580e+002
1.145972e+002 6.633168e+002
1.155614e+002 6.512346e+002
1.165256e+002 6.333252e+002
1.174899e+002 6.071107e+002
1.184541e+002 5.691842e+002
1.194183e+002 5.394657e+002
1.203826e+002 5.145271e+002
1.213468e+002 4.967760e+002
1.223110e+002 4.912422e+002
1.232753e+002 5.072845e+002
1.242395e+002 5.281925e+002
1.252037e+002 5.600285e+002
1.261680e+002 5.984479e+002
1.271322e+002 6.268358e+002
1.280964e+002 6.359547e+002
1.290607e+002 6.280750e+002
1.300249e+002 5.953293e+002
1.309891e+002 5.373829e+002
1.319534e+002 4.674767e+002
1.329176e+002 4.120218e+002
1.338818e+002 3.670971e+002
1.348461e+002 3.310533e+002
1.358103e+002 3.023421e+002
1.367745e+002 2.820775e+002
1.377388e+002 2.680351e+002
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1.396672e+002 2.575752e+002
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1.415957e+002 2.604643e+002
1.425599e+002 2.669149e+002
1.435242e+002 2.772561e+002
1.444884e+002 2.907487e+002
1.454526e+002 3.057792e+002
1.464169e+002 3.254266e+002
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1.483453e+002 3.604262e+002
1.493096e+002 3.743076e+002
1.502738e+002 3.839301e+002
1.512380e+002 3.841286e+002
1.522023e+002 3.796599e+002
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1.599161e+002 3.112812e+002
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1.647373e+002 2.602314e+002
1.657015e+002 2.536922e+002
1.666658e+002 2.474411e+002
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1.685942e+002 2.358848e+002
1.695585e+002 2.315525e+002
1.705227e+002 2.278018e+002
1.714869e+002 2.240104e+002
1.724512e+002 2.200576e+002
1.734154e+002 2.161851e+002
1.743796e+002 2.138584e+002
1.753439e+002 2.126894e+002
1.763081e+002 2.115129e+002
1.772723e+002 2.097942e+002
1.782366e+002 2.075011e+002
1.792008e+002 2.051301e+002
1.801650e+002 2.024176e+002
1.811293e+002 1.997870e+002
1.820935e+002 1.975208e+002
1.830577e+002 1.957557e+002
1.840220e+002 1.947786e+002
1.849862e+002 1.948697e+002
1.859504e+002 1.951404e+002
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1.888431e+002 1.893085e+002
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1.907716e+002 1.889331e+002
1.917358e+002 1.900578e+002
1.927000e+002 1.896636e+002
1.936643e+002 1.872721e+002
1.946285e+002 1.849525e+002
1.955927e+002 1.833044e+002
1.965570e+002 1.823416e+002
1.975212e+002 1.807550e+002
1.984854e+002 1.789567e+002
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2.004139e+002 1.720690e+002
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2.071635e+002 1.469282e+002
2.081278e+002 1.475343e+002
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2.110205e+002 1.522611e+002
2.119847e+002 1.494492e+002
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2.611606e+002 9.947453e+001
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2.650175e+002 9.318758e+001
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2.708029e+002 7.598061e+001
2.717672e+002 7.360722e+001
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