#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500042.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_3500042
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 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     39.56652
_raman_measurement.range_max     2999.762
_rod_data_source.file            CaNO32.rod
_rod_data_source.block           1000005
_rod_database.code               3500042
_solsa_sample.id                 CN-AA00-0031
_raman_measurement.datetime_initiated 2017-09-20
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
3.956652e+001 1.756854e+003
4.053076e+001 1.716624e+003
4.149499e+001 1.663110e+003
4.245922e+001 1.604941e+003
4.342346e+001 1.558225e+003
4.438769e+001 1.525794e+003
4.535192e+001 1.507173e+003
4.631615e+001 1.498950e+003
4.728039e+001 1.485348e+003
4.824462e+001 1.483049e+003
4.920885e+001 1.498457e+003
5.017309e+001 1.532481e+003
5.113732e+001 1.584611e+003
5.210155e+001 1.647013e+003
5.306579e+001 1.721038e+003
5.403002e+001 1.809732e+003
5.499426e+001 1.922272e+003
5.595849e+001 2.046773e+003
5.692272e+001 2.184677e+003
5.788696e+001 2.329705e+003
5.885119e+001 2.471658e+003
5.981542e+001 2.578946e+003
6.077966e+001 2.656747e+003
6.174389e+001 2.710465e+003
6.270812e+001 2.742000e+003
6.367236e+001 2.751254e+003
6.463659e+001 2.733686e+003
6.560082e+001 2.687071e+003
6.656505e+001 2.629693e+003
6.752928e+001 2.575868e+003
6.849352e+001 2.522915e+003
6.945775e+001 2.465675e+003
7.042198e+001 2.402258e+003
7.138622e+001 2.334877e+003
7.235045e+001 2.267002e+003
7.331468e+001 2.205550e+003
7.427892e+001 2.147846e+003
7.524315e+001 2.092620e+003
7.620738e+001 2.039034e+003
7.717162e+001 1.986084e+003
7.813585e+001 1.930922e+003
7.910008e+001 1.875020e+003
8.006432e+001 1.820708e+003
8.102855e+001 1.770190e+003
8.199278e+001 1.726882e+003
8.295702e+001 1.696270e+003
8.392125e+001 1.672953e+003
8.488548e+001 1.657865e+003
8.584972e+001 1.653027e+003
8.681395e+001 1.662219e+003
8.777818e+001 1.682964e+003
8.874242e+001 1.718504e+003
8.970665e+001 1.767165e+003
9.067088e+001 1.823095e+003
9.163512e+001 1.891670e+003
9.259935e+001 1.957139e+003
9.356358e+001 2.017755e+003
9.452782e+001 2.072760e+003
9.549205e+001 2.120117e+003
9.645628e+001 2.160300e+003
9.742052e+001 2.188550e+003
9.838475e+001 2.198074e+003
9.934898e+001 2.183437e+003
1.003132e+002 2.140695e+003
1.012775e+002 2.081125e+003
1.022417e+002 2.006679e+003
1.032059e+002 1.926614e+003
1.041702e+002 1.854521e+003
1.051344e+002 1.801977e+003
1.060986e+002 1.749032e+003
1.070629e+002 1.688971e+003
1.080271e+002 1.624265e+003
1.089913e+002 1.569616e+003
1.099556e+002 1.532553e+003
1.109198e+002 1.503924e+003
1.118840e+002 1.484351e+003
1.128483e+002 1.473448e+003
1.138125e+002 1.468517e+003
1.147767e+002 1.467066e+003
1.157410e+002 1.467202e+003
1.167052e+002 1.468196e+003
1.176694e+002 1.469701e+003
1.186336e+002 1.473611e+003
1.195979e+002 1.484574e+003
1.205621e+002 1.500215e+003
1.215263e+002 1.513539e+003
1.224906e+002 1.514657e+003
1.234548e+002 1.496552e+003
1.244190e+002 1.480579e+003
1.253833e+002 1.467168e+003
1.263475e+002 1.456276e+003
1.273117e+002 1.447204e+003
1.282760e+002 1.433754e+003
1.292402e+002 1.426109e+003
1.302044e+002 1.425713e+003
1.311687e+002 1.433032e+003
1.321329e+002 1.448011e+003
1.330971e+002 1.475988e+003
1.340614e+002 1.508121e+003
1.350256e+002 1.540119e+003
1.359898e+002 1.569975e+003
1.369541e+002 1.602906e+003
1.379183e+002 1.645907e+003
1.388825e+002 1.695201e+003
1.398468e+002 1.747672e+003
1.408110e+002 1.800019e+003
1.417752e+002 1.850533e+003
1.427395e+002 1.903160e+003
1.437037e+002 1.959597e+003
1.446679e+002 2.020283e+003
1.456322e+002 2.085209e+003
1.465964e+002 2.155249e+003
1.475606e+002 2.227218e+003
1.485249e+002 2.301296e+003
1.494891e+002 2.376427e+003
1.504533e+002 2.451124e+003
1.514176e+002 2.533952e+003
1.523818e+002 2.614267e+003
1.533460e+002 2.686539e+003
1.543103e+002 2.748062e+003
1.552745e+002 2.797671e+003
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1.581672e+002 2.888054e+003
1.591314e+002 2.894957e+003
1.600957e+002 2.884963e+003
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1.620241e+002 2.805478e+003
1.629884e+002 2.741193e+003
1.639526e+002 2.660625e+003
1.649168e+002 2.555279e+003
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1.668453e+002 2.324751e+003
1.678095e+002 2.198748e+003
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1.735949e+002 1.512979e+003
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1.774519e+002 1.173551e+003
1.784161e+002 1.105051e+003
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1.803446e+002 9.906202e+002
1.813088e+002 9.410742e+002
1.822730e+002 8.953588e+002
1.832373e+002 8.535646e+002
1.842015e+002 8.181813e+002
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1.919154e+002 6.313088e+002
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1.938438e+002 5.835120e+002
1.948081e+002 5.583973e+002
1.957723e+002 5.337692e+002
1.967365e+002 5.114976e+002
1.977008e+002 4.958863e+002
1.986650e+002 4.866439e+002
1.996292e+002 4.757309e+002
2.005935e+002 4.614379e+002
2.015577e+002 4.439196e+002
2.025219e+002 4.264620e+002
2.034862e+002 4.075132e+002
2.044504e+002 3.917953e+002
2.054146e+002 3.809080e+002
2.063789e+002 3.745171e+002
2.073431e+002 3.666377e+002
2.083073e+002 3.563039e+002
2.092716e+002 3.445643e+002
2.102358e+002 3.317385e+002
2.112000e+002 3.183553e+002
2.121643e+002 3.062289e+002
2.131285e+002 2.952419e+002
2.140927e+002 2.853747e+002
2.150570e+002 2.779100e+002
2.160212e+002 2.742065e+002
2.169854e+002 2.739171e+002
2.179497e+002 2.688452e+002
2.189139e+002 2.587599e+002
2.198781e+002 2.464303e+002
2.208424e+002 2.356424e+002
2.218066e+002 2.261137e+002
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2.237351e+002 2.150915e+002
2.246993e+002 2.138973e+002
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2.353059e+002 1.829292e+002
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2.372343e+002 1.801977e+002
2.381986e+002 1.790391e+002
2.391628e+002 1.777812e+002
2.401270e+002 1.762956e+002
2.410913e+002 1.745124e+002
2.420555e+002 1.735971e+002
2.430197e+002 1.730322e+002
2.439840e+002 1.727364e+002
2.449482e+002 1.726691e+002
2.459124e+002 1.711230e+002
2.468767e+002 1.660360e+002
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2.497694e+002 1.532951e+002
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2.536263e+002 1.538639e+002
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2.555547e+002 1.519419e+002
2.565190e+002 1.494131e+002
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2.584474e+002 1.424803e+002
2.594117e+002 1.404806e+002
2.603759e+002 1.411787e+002
2.613401e+002 1.405090e+002
2.623044e+002 1.373514e+002
2.632686e+002 1.333991e+002
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2.651971e+002 1.340037e+002
2.661613e+002 1.364237e+002
2.671255e+002 1.364150e+002
2.680898e+002 1.343505e+002
2.690540e+002 1.315301e+002
2.700182e+002 1.301098e+002
2.709825e+002 1.287970e+002
2.719467e+002 1.253938e+002
2.729109e+002 1.201400e+002
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2.748394e+002 1.113763e+002
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2.786964e+002 1.238096e+002
2.796606e+002 1.265741e+002
2.806248e+002 1.213873e+002
2.815891e+002 1.162783e+002
2.825533e+002 1.125547e+002
2.835175e+002 1.102945e+002
2.844818e+002 1.084143e+002
2.854460e+002 1.071506e+002
2.864102e+002 1.057109e+002
2.873745e+002 1.038691e+002
2.883387e+002 1.017083e+002
2.893029e+002 9.966692e+001
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2.921956e+002 9.336223e+001
2.931599e+002 9.165259e+001
2.941241e+002 9.042314e+001
2.950883e+002 8.733113e+001
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2.979810e+002 7.727388e+001
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2.999095e+002 8.553020e+001
3.008737e+002 8.417534e+001
3.018380e+002 8.163442e+001
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loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
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_rod_maintainer_comment.text
1 elmendili 2017-10-06T15:53:13+0300 'Mineral name changed'