#------------------------------------------------------------------------------
#$Date: 2018-01-29 12:24:48 +0200 (Mon, 29 Jan 2018) $
#$Revision: 366 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500035.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_3500035
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial Ba(NO3)2
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Alfa Aesar 99%'
_chemical_formula_structural     'Ba N2 O6'
_chemical_formula_sum            'Ba N2 O6'
_chemical_name_mineral           Nitrobarite
_chemical_name_systematic        'Ba(NO3)2 '
_space_group_crystal_system      cubic
_space_group_IT_number           205
_space_group_name_Hall           '-P 2ac 2ab 3'
_space_group_name_H-M_alt        'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1184
_cell_length_b                   8.1184
_cell_length_c                   8.1184
_cell_volume                     535.071
_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            BaN032.rod
_rod_data_source.block           1000005
_rod_database.code               3500035
_solsa_sample.id                 CN-AA00-0024
_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 9011343 COD http://www.crystallography.net/cod/9011343.html
;
 Entry contains the XRD analysis data of the same compound.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
3.956652e+001 5.636262e+002
4.053076e+001 5.378889e+002
4.149499e+001 5.223464e+002
4.245922e+001 5.173845e+002
4.342346e+001 5.104107e+002
4.438769e+001 4.987210e+002
4.535192e+001 4.825934e+002
4.631615e+001 4.777419e+002
4.728039e+001 4.855925e+002
4.824462e+001 4.948245e+002
4.920885e+001 4.996933e+002
5.017309e+001 4.966572e+002
5.113732e+001 4.956652e+002
5.210155e+001 4.961053e+002
5.306579e+001 4.991370e+002
5.403002e+001 5.062027e+002
5.499426e+001 5.206724e+002
5.595849e+001 5.387159e+002
5.692272e+001 5.569594e+002
5.788696e+001 5.758314e+002
5.885119e+001 5.968685e+002
5.981542e+001 6.232592e+002
6.077966e+001 6.537360e+002
6.174389e+001 6.894943e+002
6.270812e+001 7.311365e+002
6.367236e+001 7.791514e+002
6.463659e+001 8.414652e+002
6.560082e+001 9.112540e+002
6.656505e+001 9.964362e+002
6.752928e+001 1.100428e+003
6.849352e+001 1.210560e+003
6.945775e+001 1.373349e+003
7.042198e+001 1.516296e+003
7.138622e+001 1.707721e+003
7.235045e+001 2.055057e+003
7.331468e+001 2.530339e+003
7.427892e+001 3.355367e+003
7.524315e+001 4.731163e+003
7.620738e+001 6.634632e+003
7.717162e+001 8.824031e+003
7.813585e+001 1.136102e+004
7.910008e+001 1.371458e+004
8.006432e+001 1.515383e+004
8.102855e+001 1.516190e+004
8.199278e+001 1.358216e+004
8.295702e+001 1.156247e+004
8.392125e+001 8.931295e+003
8.488548e+001 6.208499e+003
8.584972e+001 4.088540e+003
8.681395e+001 3.035641e+003
8.777818e+001 2.228327e+003
8.874242e+001 1.693766e+003
8.970665e+001 1.382328e+003
9.067088e+001 1.158773e+003
9.163512e+001 1.026844e+003
9.259935e+001 9.261456e+002
9.356358e+001 8.507585e+002
9.452782e+001 7.953132e+002
9.549205e+001 7.568984e+002
9.645628e+001 7.328654e+002
9.742052e+001 7.173243e+002
9.838475e+001 7.089606e+002
9.934898e+001 7.064540e+002
1.003132e+002 7.087433e+002
1.012775e+002 7.049305e+002
1.022417e+002 6.952526e+002
1.032059e+002 6.860970e+002
1.041702e+002 6.874300e+002
1.051344e+002 7.087513e+002
1.060986e+002 7.339352e+002
1.070629e+002 7.601041e+002
1.080271e+002 7.881885e+002
1.089913e+002 8.237550e+002
1.099556e+002 8.701223e+002
1.109198e+002 9.234551e+002
1.118840e+002 9.790754e+002
1.128483e+002 1.037372e+003
1.138125e+002 1.113367e+003
1.147767e+002 1.216383e+003
1.157410e+002 1.342012e+003
1.167052e+002 1.483342e+003
1.176694e+002 1.635180e+003
1.186336e+002 1.823339e+003
1.195979e+002 2.090922e+003
1.205621e+002 2.428308e+003
1.215263e+002 2.837156e+003
1.224906e+002 3.324928e+003
1.234548e+002 3.951096e+003
1.244190e+002 4.561030e+003
1.253833e+002 5.197843e+003
1.263475e+002 5.829333e+003
1.273117e+002 6.341753e+003
1.282760e+002 6.669310e+003
1.292402e+002 6.902081e+003
1.302044e+002 7.025103e+003
1.311687e+002 7.045270e+003
1.321329e+002 7.022837e+003
1.330971e+002 6.931948e+003
1.340614e+002 6.869237e+003
1.350256e+002 6.872396e+003
1.359898e+002 6.971038e+003
1.369541e+002 7.220327e+003
1.379183e+002 7.780302e+003
1.388825e+002 8.525340e+003
1.398468e+002 9.272544e+003
1.408110e+002 9.818231e+003
1.417752e+002 1.012310e+004
1.427395e+002 9.943545e+003
1.437037e+002 9.160189e+003
1.446679e+002 7.973419e+003
1.456322e+002 6.804548e+003
1.465964e+002 5.496820e+003
1.475606e+002 4.383243e+003
1.485249e+002 3.521188e+003
1.494891e+002 2.897249e+003
1.504533e+002 2.405913e+003
1.514176e+002 2.070533e+003
1.523818e+002 1.799089e+003
1.533460e+002 1.577354e+003
1.543103e+002 1.392537e+003
1.552745e+002 1.240703e+003
1.562387e+002 1.120677e+003
1.572030e+002 1.021528e+003
1.581672e+002 9.363223e+002
1.591314e+002 8.598018e+002
1.600957e+002 7.926923e+002
1.610599e+002 7.343389e+002
1.620241e+002 6.850656e+002
1.629884e+002 6.421263e+002
1.639526e+002 6.023895e+002
1.649168e+002 5.665713e+002
1.658811e+002 5.352216e+002
1.668453e+002 5.073478e+002
1.678095e+002 4.827133e+002
1.687738e+002 4.610373e+002
1.697380e+002 4.438054e+002
1.707022e+002 4.294862e+002
1.716665e+002 4.190766e+002
1.726307e+002 4.112283e+002
1.735949e+002 4.027313e+002
1.745592e+002 3.864810e+002
1.755234e+002 3.684138e+002
1.764876e+002 3.532178e+002
1.774519e+002 3.427299e+002
1.784161e+002 3.363340e+002
1.793803e+002 3.294715e+002
1.803446e+002 3.220188e+002
1.813088e+002 3.150518e+002
1.822730e+002 3.092915e+002
1.832373e+002 3.049846e+002
1.842015e+002 3.016879e+002
1.851657e+002 3.013889e+002
1.861300e+002 3.011882e+002
1.870942e+002 2.985656e+002
1.880584e+002 2.914544e+002
1.890227e+002 2.833498e+002
1.899869e+002 2.746020e+002
1.909511e+002 2.659117e+002
1.919154e+002 2.580748e+002
1.928796e+002 2.525315e+002
1.938438e+002 2.467714e+002
1.948081e+002 2.385765e+002
1.957723e+002 2.286052e+002
1.967365e+002 2.184590e+002
1.977008e+002 2.115170e+002
1.986650e+002 2.076353e+002
1.996292e+002 2.031411e+002
2.005935e+002 1.968482e+002
2.015577e+002 1.889917e+002
2.025219e+002 1.841567e+002
2.034862e+002 1.851523e+002
2.044504e+002 1.870030e+002
2.054146e+002 1.881259e+002
2.063789e+002 1.877822e+002
2.073431e+002 1.859079e+002
2.083073e+002 1.825168e+002
2.092716e+002 1.787776e+002
2.102358e+002 1.756192e+002
2.112000e+002 1.737891e+002
2.121643e+002 1.730066e+002
2.131285e+002 1.708686e+002
2.140927e+002 1.683181e+002
2.150570e+002 1.671919e+002
2.160212e+002 1.693502e+002
2.169854e+002 1.744216e+002
2.179497e+002 1.749136e+002
2.189139e+002 1.704153e+002
2.198781e+002 1.643183e+002
2.208424e+002 1.615919e+002
2.218066e+002 1.659920e+002
2.227708e+002 1.678881e+002
2.237351e+002 1.675645e+002
2.246993e+002 1.656054e+002
2.256635e+002 1.626350e+002
2.266278e+002 1.565776e+002
2.275920e+002 1.508077e+002
2.285562e+002 1.466842e+002
2.295205e+002 1.439690e+002
2.304847e+002 1.415086e+002
2.314489e+002 1.372229e+002
2.324132e+002 1.331424e+002
2.333774e+002 1.316512e+002
2.343416e+002 1.328758e+002
2.353059e+002 1.354395e+002
2.362701e+002 1.334921e+002
2.372343e+002 1.273699e+002
2.381986e+002 1.215452e+002
2.391628e+002 1.177168e+002
2.401270e+002 1.160098e+002
2.410913e+002 1.130801e+002
2.420555e+002 1.092543e+002
2.430197e+002 1.057093e+002
2.439840e+002 1.027138e+002
2.449482e+002 1.001168e+002
2.459124e+002 9.779685e+001
2.468767e+002 9.528987e+001
2.478409e+002 9.292319e+001
2.488051e+002 9.122253e+001
2.497694e+002 9.065903e+001
2.507336e+002 9.035715e+001
2.516978e+002 8.827278e+001
2.526621e+002 8.555972e+001
2.536263e+002 8.406228e+001
2.545905e+002 8.563911e+001
2.555547e+002 8.996777e+001
2.565190e+002 8.988086e+001
2.574832e+002 8.518828e+001
2.584474e+002 7.883777e+001
2.594117e+002 7.472798e+001
2.603759e+002 7.427832e+001
2.613401e+002 7.355537e+001
2.623044e+002 7.239326e+001
2.632686e+002 7.115403e+001
2.642328e+002 7.046484e+001
2.651971e+002 7.149851e+001
2.661613e+002 7.194173e+001
2.671255e+002 7.043095e+001
2.680898e+002 6.733386e+001
2.690540e+002 6.349214e+001
2.700182e+002 5.953035e+001
2.709825e+002 5.662132e+001
2.719467e+002 5.657202e+001
2.729109e+002 5.905703e+001
2.738752e+002 6.230410e+001
2.748394e+002 6.118474e+001
2.758036e+002 5.493743e+001
2.767679e+002 5.051399e+001
2.777321e+002 5.001484e+001
2.786964e+002 5.292490e+001
2.796606e+002 5.371177e+001
2.806248e+002 4.997017e+001
2.815891e+002 4.679031e+001
2.825533e+002 4.563635e+001
2.835175e+002 4.635442e+001
2.844818e+002 4.617402e+001
2.854460e+002 4.255632e+001
2.864102e+002 3.869219e+001
2.873745e+002 3.606809e+001
2.883387e+002 3.519617e+001
2.893029e+002 3.524773e+001
2.902672e+002 3.405896e+001
2.912314e+002 3.206582e+001
2.921956e+002 2.995767e+001
2.931599e+002 2.818733e+001
2.941241e+002 2.694287e+001
2.950883e+002 2.679329e+001
2.960526e+002 2.768645e+001
2.970168e+002 2.875982e+001
2.979810e+002 2.968364e+001
2.989453e+002 3.053003e+001
2.999095e+002 3.000720e+001
3.008737e+002 2.749993e+001
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3.269080e+002 8.521777e+000
3.278723e+002 5.763452e+000
3.288365e+002 3.881348e+000
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3.307650e+002 3.832813e+000
3.317292e+002 5.738599e+000
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3.442642e+002 -3.827637e-001
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3.924759e+002 -2.665918e+000
3.934401e+002 -1.662207e+000
3.944043e+002 -1.293457e-001
3.953686e+002 2.462134e+000
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3.982613e+002 -1.534814e+000
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4.001897e+002 -5.459839e+000
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loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
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_rod_maintainer_comment.text
1 elmendili 2017-10-06T15:47:50+0300 'Mineral name changed'
