#------------------------------------------------------------------------------
#$Date: 2018-07-20 15:02:54 +0300 (Fri, 20 Jul 2018) $
#$Revision: 1269 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500115.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_3500115
loop_
_publ_author_name
'El Mendili, Y.'
_publ_section_title
;
 Raman spectrum of commercial calcium peroxide
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Aldrich 78%'
_chemical_formula_structural     'Ca O2'
_chemical_formula_sum            'Ca O2'
_chemical_name_mineral           'calcium peroxide'
_chemical_name_systematic        'calcium peroxide'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   5.01
_cell_length_b                   5.01
_cell_length_c                   5.92
_raman_determination_method      experimental
_[local]_chemical_compound_color yelow
_[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 600
_raman_measurement.range_min     5.050586e+001
_raman_measurement.range_max     2.000186e+003
_rod_data_source.file            CaO2.rod
_rod_data_source.block           1000005
_rod_database.code               3500115
_solsa_sample.id                 CN-AA00-0095
_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 1530292 COD http://www.crystallography.net/cod/1530292.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.050586e+001 2.673320e+001
5.147009e+001 2.157155e+001
5.243433e+001 1.664726e+001
5.339856e+001 1.239957e+001
5.436279e+001 9.119034e+000
5.532703e+001 6.781853e+000
5.629126e+001 5.206898e+000
5.725549e+001 4.838737e+000
5.821973e+001 5.108906e+000
5.918396e+001 5.139610e+000
6.014819e+001 4.722599e+000
6.111243e+001 4.023533e+000
6.207666e+001 3.209599e+000
6.304089e+001 2.146072e+000
6.400513e+001 1.301247e+000
6.496936e+001 1.057526e+000
6.593359e+001 1.402245e+000
6.689783e+001 1.896061e+000
6.786206e+001 2.322399e+000
6.882629e+001 2.670975e+000
6.979053e+001 2.935539e+000
7.075476e+001 3.009155e+000
7.171899e+001 3.046833e+000
7.268323e+001 3.257183e+000
7.364746e+001 3.948917e+000
7.461169e+001 4.717216e+000
7.557593e+001 4.849129e+000
7.654016e+001 4.047199e+000
7.750439e+001 3.163445e+000
7.846863e+001 3.018246e+000
7.943286e+001 3.608158e+000
8.039709e+001 4.361023e+000
8.136133e+001 5.100689e+000
8.232556e+001 5.798801e+000
8.328979e+001 6.237465e+000
8.425403e+001 6.150822e+000
8.521826e+001 5.809135e+000
8.618250e+001 5.699318e+000
8.714673e+001 5.880920e+000
8.811096e+001 6.007914e+000
8.907520e+001 6.467819e+000
9.003943e+001 7.364603e+000
9.100366e+001 8.228104e+000
9.196790e+001 8.538271e+000
9.293213e+001 8.305668e+000
9.389636e+001 8.074614e+000
9.486060e+001 8.085386e+000
9.582483e+001 8.296097e+000
9.678906e+001 8.537680e+000
9.775330e+001 8.746265e+000
9.871753e+001 8.981689e+000
9.968176e+001 9.332083e+000
1.006460e+002 9.800486e+000
1.016102e+002 1.039387e+001
1.025745e+002 1.123674e+001
1.035387e+002 1.236404e+001
1.045029e+002 1.339927e+001
1.054672e+002 1.397600e+001
1.064314e+002 1.408867e+001
1.073956e+002 1.393445e+001
1.083599e+002 1.334224e+001
1.093241e+002 1.255383e+001
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1.122168e+002 1.184515e+001
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1.141453e+002 1.211646e+001
1.151095e+002 1.224038e+001
1.160737e+002 1.225605e+001
1.170380e+002 1.216531e+001
1.180022e+002 1.195104e+001
1.189664e+002 1.157311e+001
1.199307e+002 1.096880e+001
1.208949e+002 1.036839e+001
1.218591e+002 9.916134e+000
1.228234e+002 9.407042e+000
1.237876e+002 8.564064e+000
1.247518e+002 7.301237e+000
1.257161e+002 5.903938e+000
1.266803e+002 4.921780e+000
1.276445e+002 4.669729e+000
1.286088e+002 4.420404e+000
1.295730e+002 4.062756e+000
1.305372e+002 3.637463e+000
1.315015e+002 3.207386e+000
1.324657e+002 2.798342e+000
1.334299e+002 2.408081e+000
1.343942e+002 2.158951e+000
1.353584e+002 1.913538e+000
1.363226e+002 1.869614e+000
1.372869e+002 2.266335e+000
1.382511e+002 3.070297e+000
1.392153e+002 3.941660e+000
1.401796e+002 4.445389e+000
1.411438e+002 4.489143e+000
1.421080e+002 4.254595e+000
1.430723e+002 3.617342e+000
1.440365e+002 2.798586e+000
1.450007e+002 1.969276e+000
1.459650e+002 1.196766e+000
1.469292e+002 5.046711e-001
1.478934e+002 -8.358002e-003
1.488577e+002 -2.922783e-001
1.498219e+002 -4.443035e-001
1.507861e+002 -3.862953e-001
1.517504e+002 -1.965179e-001
1.527146e+002 -4.335785e-002
1.536788e+002 -1.023388e-001
1.546431e+002 -4.324188e-001
1.556073e+002 -6.916237e-001
1.565715e+002 -9.397736e-001
1.575358e+002 -1.077330e+000
1.585000e+002 -9.998932e-001
1.594642e+002 -6.653938e-001
1.604285e+002 -2.334709e-001
1.613927e+002 4.184723e-002
1.623569e+002 9.912300e-002
1.633212e+002 1.369228e-001
1.642854e+002 7.551956e-002
1.652496e+002 5.236053e-002
1.662139e+002 2.761898e-001
1.671781e+002 9.751320e-001
1.681423e+002 2.012804e+000
1.691066e+002 2.923155e+000
1.700708e+002 3.553968e+000
1.710350e+002 4.286985e+000
1.719993e+002 5.499033e+000
1.729635e+002 7.217661e+000
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1.748920e+002 1.018313e+001
1.758562e+002 1.119527e+001
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1.777847e+002 1.151838e+001
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1.806774e+002 9.501844e+000
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1.912840e+002 -8.585749e-001
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2.067117e+002 2.492506e+000
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2.115329e+002 3.840203e+000
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2.163540e+002 5.679643e+000
2.173183e+002 6.093168e+000
2.182825e+002 6.437209e+000
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2.202110e+002 7.304199e+000
2.211752e+002 7.796684e+000
2.221394e+002 8.068515e+000
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