#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500114.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_3500114
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial Ca(NO3)2
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial Merk pur'
_chemical_formula_structural     'Ca N2 O6'
_chemical_formula_sum            'Ca N2 O6'
_chemical_name_mineral           Nitrocalcite
_chemical_name_systematic        'Calcium nitrate'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.60
_cell_length_b                   7.60
_cell_length_c                   7.60
_cell_volume                     438.976
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[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 30
_raman_measurement.range_min     5.050586e+001
_raman_measurement.range_max     2.000186e+003
_rod_data_source.file            CaNO32.rod
_rod_data_source.block           1000005
_rod_database.code               3500114
_solsa_sample.id                 CN-AA00-0121
_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 5910045 COD http://www.crystallography.net/cod/5910045.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.050586e+001 2.984119e+002
5.147009e+001 2.988352e+002
5.243433e+001 3.006805e+002
5.339856e+001 3.045473e+002
5.436279e+001 3.115187e+002
5.532703e+001 3.214257e+002
5.629126e+001 3.316868e+002
5.725549e+001 3.423527e+002
5.821973e+001 3.524262e+002
5.918396e+001 3.605488e+002
6.014819e+001 3.674159e+002
6.111243e+001 3.721747e+002
6.207666e+001 3.730329e+002
6.304089e+001 3.691809e+002
6.400513e+001 3.632105e+002
6.496936e+001 3.568489e+002
6.593359e+001 3.500388e+002
6.689783e+001 3.432252e+002
6.786206e+001 3.362260e+002
6.882629e+001 3.290187e+002
6.979053e+001 3.228311e+002
7.075476e+001 3.186190e+002
7.171899e+001 3.157820e+002
7.268323e+001 3.131536e+002
7.364746e+001 3.100421e+002
7.461169e+001 3.069161e+002
7.557593e+001 3.047314e+002
7.654016e+001 3.038428e+002
7.750439e+001 3.028454e+002
7.846863e+001 3.005857e+002
7.943286e+001 2.972057e+002
8.039709e+001 2.942417e+002
8.136133e+001 2.923843e+002
8.232556e+001 2.915748e+002
8.328979e+001 2.914850e+002
8.425403e+001 2.916053e+002
8.521826e+001 2.926822e+002
8.618250e+001 2.957299e+002
8.714673e+001 3.015030e+002
8.811096e+001 3.090995e+002
8.907520e+001 3.178168e+002
9.003943e+001 3.279069e+002
9.100366e+001 3.381002e+002
9.196790e+001 3.477037e+002
9.293213e+001 3.567147e+002
9.389636e+001 3.638017e+002
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9.582483e+001 3.692571e+002
9.678906e+001 3.706441e+002
9.775330e+001 3.734296e+002
9.871753e+001 3.761282e+002
9.968176e+001 3.759274e+002
1.006460e+002 3.714123e+002
1.016102e+002 3.650223e+002
1.025745e+002 3.580643e+002
1.035387e+002 3.504932e+002
1.045029e+002 3.435143e+002
1.054672e+002 3.384632e+002
1.064314e+002 3.352088e+002
1.073956e+002 3.314687e+002
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1.093241e+002 3.202720e+002
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1.141453e+002 3.100135e+002
1.151095e+002 3.116443e+002
1.160737e+002 3.133229e+002
1.170380e+002 3.149997e+002
1.180022e+002 3.163183e+002
1.189664e+002 3.170086e+002
1.199307e+002 3.168166e+002
1.208949e+002 3.159369e+002
1.218591e+002 3.145098e+002
1.228234e+002 3.123390e+002
1.237876e+002 3.092302e+002
1.247518e+002 3.051701e+002
1.257161e+002 3.003594e+002
1.266803e+002 2.949798e+002
1.276445e+002 2.871996e+002
1.286088e+002 2.807255e+002
1.295730e+002 2.764046e+002
1.305372e+002 2.738855e+002
1.315015e+002 2.725492e+002
1.324657e+002 2.720821e+002
1.334299e+002 2.725135e+002
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1.353584e+002 2.751755e+002
1.363226e+002 2.772619e+002
1.372869e+002 2.798276e+002
1.382511e+002 2.828353e+002
1.392153e+002 2.862617e+002
1.401796e+002 2.901620e+002
1.411438e+002 2.949293e+002
1.421080e+002 2.997618e+002
1.430723e+002 3.044809e+002
1.440365e+002 3.094854e+002
1.450007e+002 3.151465e+002
1.459650e+002 3.216718e+002
1.469292e+002 3.289716e+002
1.478934e+002 3.364479e+002
1.488577e+002 3.440173e+002
1.498219e+002 3.516619e+002
1.507861e+002 3.596253e+002
1.517504e+002 3.676424e+002
1.527146e+002 3.752082e+002
1.536788e+002 3.819133e+002
1.546431e+002 3.876941e+002
1.556073e+002 3.930103e+002
1.565715e+002 3.991895e+002
1.575358e+002 4.041050e+002
1.585000e+002 4.067305e+002
1.594642e+002 4.067929e+002
1.604285e+002 4.042903e+002
1.613927e+002 3.991400e+002
1.623569e+002 3.910884e+002
1.633212e+002 3.806182e+002
1.642854e+002 3.670327e+002
1.652496e+002 3.514631e+002
1.662139e+002 3.353702e+002
1.671781e+002 3.190540e+002
1.681423e+002 3.026685e+002
1.691066e+002 2.866379e+002
1.700708e+002 2.708998e+002
1.710350e+002 2.555747e+002
1.719993e+002 2.403800e+002
1.729635e+002 2.252416e+002
1.739277e+002 2.112059e+002
1.748920e+002 1.989485e+002
1.758562e+002 1.883981e+002
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1.777847e+002 1.706649e+002
1.787489e+002 1.634052e+002
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2.038190e+002 7.668479e+001
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2.067117e+002 7.338292e+001
2.076759e+002 7.326212e+001
2.086402e+002 7.262541e+001
2.096044e+002 7.087734e+001
2.105686e+002 6.888161e+001
2.115329e+002 6.714368e+001
2.124971e+002 6.579140e+001
2.134613e+002 6.452323e+001
2.144256e+002 6.296595e+001
2.153898e+002 6.106759e+001
2.163540e+002 5.923865e+001
2.173183e+002 5.767052e+001
2.182825e+002 5.631462e+001
2.192467e+002 5.506944e+001
2.202110e+002 5.399790e+001
2.211752e+002 5.303086e+001
2.221394e+002 5.202343e+001
2.231037e+002 5.092915e+001
2.240679e+002 4.995709e+001
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2.259964e+002 4.949044e+001
2.269606e+002 4.910715e+001
2.279248e+002 4.777267e+001
2.288891e+002 4.607713e+001
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2.327460e+002 4.184838e+001
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2.539591e+002 3.499094e+001
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2.587803e+002 3.374488e+001
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2.626372e+002 3.332655e+001
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2.761365e+002 2.888796e+001
2.771007e+002 2.821621e+001
2.780649e+002 2.793182e+001
2.790292e+002 2.774398e+001
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2.809576e+002 2.640848e+001
2.819219e+002 2.577808e+001
2.828861e+002 2.561979e+001
2.838503e+002 2.582189e+001
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2.906000e+002 2.467649e+001
2.915642e+002 2.491019e+001
2.925284e+002 2.485881e+001
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2.944569e+002 2.369337e+001
2.954211e+002 2.327518e+001
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2.973496e+002 2.297029e+001
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2.992781e+002 2.211273e+001
3.002423e+002 2.159925e+001
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3.040992e+002 2.029027e+001
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