#------------------------------------------------------------------------------
#$Date: 2018-07-20 15:02:54 +0300 (Fri, 20 Jul 2018) $
#$Revision: 1269 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500004.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_3500004
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 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 600
_raman_measurement.range_min     50.17309
_raman_measurement.range_max     2500.29
_rod_data_source.file            CaO2.rod
_rod_data_source.block           1000005
_rod_database.code               3500004
_solsa_sample.id                 CN-AA00-0005
_raman_measurement.datetime_initiated 2017-09-18
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
5.017309e+001 8.386227e+001
5.113732e+001 8.316909e+001
5.210155e+001 8.030092e+001
5.306579e+001 7.666813e+001
5.403002e+001 7.355357e+001
5.499426e+001 7.208707e+001
5.595849e+001 7.207652e+001
5.692272e+001 7.386971e+001
5.788696e+001 7.706290e+001
5.885119e+001 8.086643e+001
5.981542e+001 8.351053e+001
6.077965e+001 8.475963e+001
6.174389e+001 8.353169e+001
6.270812e+001 7.916526e+001
6.367235e+001 7.117570e+001
6.463658e+001 6.654867e+001
6.560081e+001 6.578987e+001
6.656505e+001 6.690299e+001
6.752928e+001 6.819260e+001
6.849352e+001 6.957624e+001
6.945775e+001 7.044921e+001
7.042198e+001 7.046738e+001
7.138622e+001 6.998571e+001
7.235045e+001 6.969164e+001
7.331468e+001 7.153468e+001
7.427892e+001 7.287166e+001
7.524315e+001 7.227651e+001
7.620738e+001 6.963411e+001
7.717162e+001 6.609364e+001
7.813585e+001 6.352955e+001
7.910008e+001 6.171246e+001
8.006432e+001 6.098719e+001
8.102855e+001 6.163105e+001
8.199278e+001 6.397103e+001
8.295702e+001 6.558697e+001
8.392125e+001 6.634322e+001
8.488548e+001 6.618189e+001
8.584972e+001 6.498317e+001
8.681395e+001 6.089294e+001
8.777818e+001 5.839587e+001
8.874242e+001 5.827738e+001
8.970665e+001 6.007988e+001
9.067088e+001 6.221494e+001
9.163512e+001 6.453996e+001
9.259935e+001 6.618503e+001
9.356358e+001 6.664252e+001
9.452782e+001 6.590623e+001
9.549205e+001 6.495837e+001
9.645628e+001 6.486873e+001
9.742052e+001 6.516228e+001
9.838475e+001 6.559966e+001
9.934898e+001 6.597652e+001
1.003132e+002 6.621856e+001
1.012775e+002 6.636551e+001
1.022417e+002 6.647742e+001
1.032059e+002 6.688799e+001
1.041701e+002 6.811362e+001
1.051344e+002 7.169838e+001
1.060986e+002 7.462440e+001
1.070628e+002 7.697680e+001
1.080271e+002 7.852962e+001
1.089913e+002 7.855466e+001
1.099555e+002 7.455559e+001
1.109198e+002 7.091222e+001
1.118840e+002 6.883477e+001
1.128482e+002 6.871418e+001
1.138125e+002 6.946324e+001
1.147767e+002 7.055177e+001
1.157409e+002 7.136993e+001
1.167052e+002 7.143648e+001
1.176694e+002 7.040691e+001
1.186336e+002 6.851705e+001
1.195979e+002 6.674236e+001
1.205621e+002 6.497390e+001
1.215263e+002 6.316212e+001
1.224906e+002 6.127395e+001
1.234548e+002 5.963620e+001
1.244190e+002 5.750889e+001
1.253833e+002 5.452896e+001
1.263475e+002 5.102476e+001
1.273117e+002 4.810907e+001
1.282760e+002 4.604871e+001
1.292402e+002 4.426337e+001
1.302044e+002 4.264028e+001
1.311687e+002 4.114703e+001
1.321329e+002 3.991895e+001
1.330971e+002 3.949810e+001
1.340614e+002 3.915237e+001
1.350256e+002 3.831960e+001
1.359898e+002 3.671427e+001
1.369541e+002 3.527860e+001
1.379183e+002 3.611874e+001
1.388825e+002 3.835498e+001
1.398468e+002 4.075651e+001
1.408110e+002 4.193953e+001
1.417752e+002 4.138999e+001
1.427395e+002 4.028515e+001
1.437037e+002 3.862852e+001
1.446679e+002 3.668515e+001
1.456322e+002 3.490091e+001
1.465964e+002 3.300730e+001
1.475606e+002 3.139045e+001
1.485249e+002 3.019635e+001
1.494891e+002 2.933642e+001
1.504533e+002 2.842137e+001
1.514176e+002 2.717060e+001
1.523818e+002 2.613856e+001
1.533460e+002 2.554879e+001
1.543103e+002 2.542433e+001
1.552745e+002 2.546569e+001
1.562387e+002 2.520606e+001
1.572030e+002 2.480671e+001
1.581672e+002 2.428425e+001
1.591314e+002 2.363890e+001
1.600957e+002 2.282190e+001
1.610599e+002 2.305645e+001
1.620241e+002 2.467629e+001
1.629884e+002 2.662843e+001
1.639526e+002 2.760529e+001
1.649168e+002 2.663031e+001
1.658811e+002 2.634910e+001
1.668453e+002 2.678204e+001
1.678095e+002 2.775749e+001
1.687738e+002 2.901155e+001
1.697380e+002 3.058138e+001
1.707022e+002 3.251675e+001
1.716665e+002 3.483453e+001
1.726307e+002 3.745483e+001
1.735949e+002 4.028062e+001
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1.755234e+002 4.781033e+001
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1.784161e+002 4.682226e+001
1.793803e+002 4.442498e+001
1.803446e+002 4.205489e+001
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1.832373e+002 3.344429e+001
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2.083073e+002 2.612903e+001
2.092715e+002 2.430004e+001
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2.112000e+002 2.445461e+001
2.121642e+002 2.622577e+001
2.131285e+002 2.652777e+001
2.140927e+002 2.614460e+001
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2.160212e+002 2.701812e+001
2.169854e+002 2.921964e+001
2.179496e+002 3.123997e+001
2.189139e+002 3.310960e+001
2.198781e+002 3.470610e+001
2.208423e+002 3.584487e+001
2.218066e+002 3.621964e+001
2.227708e+002 3.621474e+001
2.237350e+002 3.625309e+001
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2.256635e+002 3.528478e+001
2.266277e+002 3.258223e+001
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2.324131e+002 2.037489e+001
2.333774e+002 1.999114e+001
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2.507336e+002 3.529771e+001
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2.536263e+002 3.962002e+001
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2.555547e+002 3.905800e+001
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2.786964e+002 2.568849e+001
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2.825533e+002 2.528239e+001
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2.921956e+002 3.392170e+001
2.931599e+002 3.454646e+001
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2.950883e+002 3.600486e+001
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2.979810e+002 4.418740e+001
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loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
_rod_maintainer_comment.date
_rod_maintainer_comment.text
1 elmendili 2017-10-06T15:11:30+0300 'COD entry is wrong'
