#------------------------------------------------------------------------------
#$Date: 2017-10-17 18:21:12 +0300 (Tue, 17 Oct 2017) $
#$Revision: 261 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500081.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_3500081
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial Otavite
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Alfa aesar 97% A15812'
_chemical_formula_structural     'C Cd O3'
_chemical_formula_sum            'C Cd O3'
_chemical_name_mineral           Otavite
_chemical_name_systematic        Otavite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.9204
_cell_length_b                   4.9204
_cell_length_c                   16.298
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state Solid
_solsa_sample.id                 CN-NC00-0070
_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            CdCO3.rod
_rod_data_source.block           1000005
_rod_database.code               3500081
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 9000100 COD http://www.crystallography.net/cod/9000100.html
;
 The structure contains the XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
9.916943e+001 2.907163e+001
1.001337e+002 2.698818e+001
1.010979e+002 2.633188e+001
1.020621e+002 2.771067e+001
1.030264e+002 3.033752e+001
1.039906e+002 3.263728e+001
1.049548e+002 3.495386e+001
1.059191e+002 3.552097e+001
1.068833e+002 3.301196e+001
1.078475e+002 2.812993e+001
1.088118e+002 2.429238e+001
1.097760e+002 2.597368e+001
1.107402e+002 2.917805e+001
1.117045e+002 3.216975e+001
1.126687e+002 3.380725e+001
1.136329e+002 3.401978e+001
1.145972e+002 3.346331e+001
1.155614e+002 3.240991e+001
1.165256e+002 3.119707e+001
1.174899e+002 3.020076e+001
1.184541e+002 2.983792e+001
1.194183e+002 2.957224e+001
1.203826e+002 2.889939e+001
1.213468e+002 2.820188e+001
1.223110e+002 2.834307e+001
1.232753e+002 3.041172e+001
1.242395e+002 3.192978e+001
1.252037e+002 3.236753e+001
1.261680e+002 3.199482e+001
1.271322e+002 3.203786e+001
1.280964e+002 3.441785e+001
1.290607e+002 3.677820e+001
1.300249e+002 3.797170e+001
1.309891e+002 3.753721e+001
1.319534e+002 3.624953e+001
1.329176e+002 3.536936e+001
1.338818e+002 3.519382e+001
1.348461e+002 3.641826e+001
1.358103e+002 3.959829e+001
1.367745e+002 4.494131e+001
1.377388e+002 4.922576e+001
1.387030e+002 5.246275e+001
1.396672e+002 5.509819e+001
1.406315e+002 5.761238e+001
1.415957e+002 5.843987e+001
1.425599e+002 6.161079e+001
1.435242e+002 6.800764e+001
1.444884e+002 7.672139e+001
1.454526e+002 8.552285e+001
1.464169e+002 9.114475e+001
1.473811e+002 9.908828e+001
1.483453e+002 1.098296e+002
1.493096e+002 1.241617e+002
1.502738e+002 1.434893e+002
1.512380e+002 1.720438e+002
1.522023e+002 2.063545e+002
1.531665e+002 2.463134e+002
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1.560592e+002 3.846896e+002
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1.599161e+002 4.686993e+002
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1.695585e+002 1.168678e+002
1.705227e+002 1.042537e+002
1.714869e+002 9.281050e+001
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1.734154e+002 7.203835e+001
1.743796e+002 6.515635e+001
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1.763081e+002 5.664199e+001
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1.782366e+002 4.678460e+001
1.792008e+002 4.347947e+001
1.801650e+002 4.292449e+001
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1.830577e+002 3.955698e+001
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1.927000e+002 3.998032e+001
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1.984854e+002 3.901824e+001
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2.004139e+002 3.941614e+001
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2.023424e+002 3.672752e+001
2.033066e+002 3.959998e+001
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2.119847e+002 4.399168e+001
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2.621248e+002 5.536859e+002
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2.650175e+002 7.697873e+002
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2.679102e+002 1.003615e+003
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2.717672e+002 1.042854e+003
2.727314e+002 9.801838e+002
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loop_
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1 elmendili 2017-10-17T18:21:11+0300 'Chemical name changed'