#------------------------------------------------------------------------------
#$Date: 2018-07-20 14:21:17 +0300 (Fri, 20 Jul 2018) $
#$Revision: 1268 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500002.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_3500002
loop_
_publ_author_name
'El Mendili, Y'
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'Commercial powder Alfa Aesar 99.98%'
_chemical_formula_structural     'B2 O3'
_chemical_formula_sum            'B2 O3'
_chemical_name_mineral           'boron trioxide'
_chemical_name_systematic        'boron trioxide'
_space_group_crystal_system      trigonal
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.3358
_cell_length_b                   4.3358
_cell_length_c                   8.3397
_cell_volume                     135.775
_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 600
_raman_measurement.range_min     50.17309
_raman_measurement.range_max     2500.29
_rod_data_source.file            B2O3.rod
_rod_data_source.block           1000005
_rod_database.code               3500002
_solsa_sample.id                 CN-AA00-0003
_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 1510796 COD http://www.crystallography.net/cod/1510796.html
;
 Entry contains the XRD analysis data of the same compound.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.017309e+001 1.015612e+002
5.113732e+001 9.864494e+001
5.210155e+001 9.468676e+001
5.306579e+001 9.056404e+001
5.403002e+001 8.712552e+001
5.499426e+001 8.543622e+001
5.595849e+001 8.500339e+001
5.692272e+001 8.590573e+001
5.788696e+001 8.784481e+001
5.885119e+001 9.027908e+001
5.981542e+001 9.193539e+001
6.077965e+001 9.233281e+001
6.174389e+001 9.037029e+001
6.270812e+001 8.543190e+001
6.367235e+001 7.715653e+001
6.463658e+001 7.188058e+001
6.560081e+001 7.033080e+001
6.656505e+001 7.047163e+001
6.752928e+001 7.034303e+001
6.849352e+001 6.853492e+001
6.945775e+001 6.747869e+001
7.042198e+001 6.794691e+001
7.138622e+001 6.916830e+001
7.235045e+001 6.982680e+001
7.331468e+001 6.916293e+001
7.427892e+001 6.839034e+001
7.524315e+001 6.786504e+001
7.620738e+001 6.756176e+001
7.717162e+001 6.705115e+001
7.813585e+001 6.480460e+001
7.910008e+001 6.184282e+001
8.006432e+001 5.932613e+001
8.102855e+001 5.818101e+001
8.199278e+001 5.896397e+001
8.295702e+001 6.032851e+001
8.392125e+001 6.199609e+001
8.488548e+001 6.324902e+001
8.584972e+001 6.318108e+001
8.681395e+001 6.019178e+001
8.777818e+001 5.805278e+001
8.874242e+001 5.717298e+001
8.970665e+001 5.754104e+001
9.067088e+001 5.877535e+001
9.163512e+001 6.116000e+001
9.259935e+001 6.343832e+001
9.356358e+001 6.504874e+001
9.452782e+001 6.603236e+001
9.549205e+001 6.771777e+001
9.645628e+001 7.125879e+001
9.742052e+001 7.605061e+001
9.838475e+001 8.211443e+001
9.934898e+001 8.945573e+001
1.003132e+002 9.781005e+001
1.012775e+002 1.054099e+002
1.022417e+002 1.124623e+002
1.032059e+002 1.194226e+002
1.041701e+002 1.270368e+002
1.051344e+002 1.381710e+002
1.060986e+002 1.469095e+002
1.070628e+002 1.524962e+002
1.080271e+002 1.551012e+002
1.089913e+002 1.558544e+002
1.099555e+002 1.527092e+002
1.109198e+002 1.496362e+002
1.118840e+002 1.476776e+002
1.128482e+002 1.472207e+002
1.138125e+002 1.475477e+002
1.147767e+002 1.483740e+002
1.157409e+002 1.488983e+002
1.167052e+002 1.483131e+002
1.176694e+002 1.460601e+002
1.186336e+002 1.431680e+002
1.195979e+002 1.427832e+002
1.205621e+002 1.443320e+002
1.215263e+002 1.468717e+002
1.224906e+002 1.491478e+002
1.234548e+002 1.515354e+002
1.244190e+002 1.535938e+002
1.253833e+002 1.551189e+002
1.263475e+002 1.563567e+002
1.273117e+002 1.581105e+002
1.282760e+002 1.609388e+002
1.292402e+002 1.632745e+002
1.302044e+002 1.651186e+002
1.311687e+002 1.663086e+002
1.321329e+002 1.660031e+002
1.330971e+002 1.645758e+002
1.340614e+002 1.612042e+002
1.350256e+002 1.547354e+002
1.359898e+002 1.446027e+002
1.369541e+002 1.327993e+002
1.379183e+002 1.236138e+002
1.388825e+002 1.158821e+002
1.398468e+002 1.080048e+002
1.408110e+002 9.819891e+001
1.417752e+002 8.553158e+001
1.427395e+002 7.343010e+001
1.437037e+002 6.177583e+001
1.446679e+002 5.114073e+001
1.456322e+002 4.241862e+001
1.465964e+002 3.678802e+001
1.475606e+002 3.182682e+001
1.485249e+002 2.749751e+001
1.494891e+002 2.367157e+001
1.504533e+002 2.003552e+001
1.514176e+002 1.671957e+001
1.523818e+002 1.394657e+001
1.533460e+002 1.186413e+001
1.543103e+002 1.039512e+001
1.552745e+002 9.128819e+000
1.562387e+002 7.320855e+000
1.572030e+002 5.373003e+000
1.581672e+002 3.615712e+000
1.591314e+002 2.282422e+000
1.600957e+002 1.305642e+000
1.610599e+002 1.059223e+000
1.620241e+002 1.993229e+000
1.629884e+002 3.038021e+000
1.639526e+002 2.836610e+000
1.649168e+002 1.755859e-001
1.658811e+002 -1.542405e+000
1.668453e+002 -2.163846e+000
1.678095e+002 -2.130100e+000
1.687738e+002 -2.144488e+000
1.697380e+002 -2.620942e+000
1.707022e+002 -2.806055e+000
1.716665e+002 -2.654557e+000
1.726307e+002 -2.162305e+000
1.735949e+002 -1.350716e+000
1.745592e+002 1.430122e-001
1.755234e+002 2.043099e+000
1.764876e+002 4.157335e+000
1.774519e+002 6.396680e+000
1.784161e+002 8.755968e+000
1.793803e+002 1.120681e+001
1.803446e+002 1.366669e+001
1.813088e+002 1.617246e+001
1.822730e+002 1.885575e+001
1.832373e+002 2.202255e+001
1.842015e+002 2.423325e+001
1.851657e+002 2.607572e+001
1.861300e+002 2.728264e+001
1.870942e+002 2.743980e+001
1.880584e+002 2.573704e+001
1.890227e+002 2.382561e+001
1.899869e+002 2.152739e+001
1.909511e+002 1.950972e+001
1.919154e+002 1.848479e+001
1.928796e+002 1.936202e+001
1.938438e+002 2.126682e+001
1.948081e+002 2.318129e+001
1.957723e+002 2.539577e+001
1.967365e+002 2.851267e+001
1.977008e+002 3.391424e+001
1.986650e+002 4.159340e+001
1.996292e+002 4.987127e+001
2.005935e+002 5.810627e+001
2.015577e+002 6.643945e+001
2.025219e+002 7.781940e+001
2.034862e+002 9.419093e+001
2.044504e+002 1.121699e+002
2.054146e+002 1.321008e+002
2.063788e+002 1.539639e+002
2.073431e+002 1.706472e+002
2.083073e+002 1.804553e+002
2.092715e+002 1.854573e+002
2.102358e+002 1.863449e+002
2.112000e+002 1.837168e+002
2.121642e+002 1.776453e+002
2.131285e+002 1.670363e+002
2.140927e+002 1.532829e+002
2.150569e+002 1.374960e+002
2.160212e+002 1.207791e+002
2.169854e+002 1.036556e+002
2.179496e+002 8.875468e+001
2.189139e+002 7.595642e+001
2.198781e+002 6.503724e+001
2.208423e+002 5.572802e+001
2.218066e+002 4.873097e+001
2.227708e+002 4.248598e+001
2.237350e+002 3.746408e+001
2.246993e+002 3.347318e+001
2.256635e+002 2.994297e+001
2.266277e+002 2.646304e+001
2.275920e+002 2.300137e+001
2.285562e+002 1.974850e+001
2.295204e+002 1.671691e+001
2.304847e+002 1.374909e+001
2.314489e+002 1.033134e+001
2.324131e+002 7.200130e+000
2.333774e+002 5.154970e+000
2.343416e+002 4.281879e+000
2.353058e+002 4.217817e+000
2.362701e+002 3.489388e+000
2.372343e+002 2.010308e+000
2.381985e+002 3.904297e-001
2.391628e+002 -1.238824e+000
2.401270e+002 -2.951107e+000
2.410912e+002 -4.720226e+000
2.420555e+002 -5.840886e+000
2.430197e+002 -6.744141e+000
2.439839e+002 -7.779145e+000
2.449482e+002 -9.198242e+000
2.459124e+002 -1.041074e+001
2.468766e+002 -1.117604e+001
2.478409e+002 -1.192823e+001
2.488051e+002 -1.288453e+001
2.497693e+002 -1.413010e+001
2.507336e+002 -1.534776e+001
2.516978e+002 -1.643296e+001
2.526620e+002 -1.731252e+001
2.536263e+002 -1.774681e+001
2.545905e+002 -1.749375e+001
2.555547e+002 -1.663806e+001
2.565190e+002 -1.654477e+001
2.574832e+002 -1.707706e+001
2.584474e+002 -1.792231e+001
2.594117e+002 -1.878629e+001
2.603759e+002 -2.020862e+001
2.613401e+002 -2.122684e+001
2.623044e+002 -2.175966e+001
2.632686e+002 -2.183548e+001
2.642328e+002 -2.143398e+001
2.651971e+002 -1.981020e+001
2.661613e+002 -1.857886e+001
2.671255e+002 -1.883268e+001
2.680898e+002 -2.016981e+001
2.690540e+002 -2.164377e+001
2.700182e+002 -2.175397e+001
2.709825e+002 -2.130935e+001
2.719467e+002 -2.133375e+001
2.729109e+002 -2.187218e+001
2.738752e+002 -2.267524e+001
2.748394e+002 -2.323867e+001
2.758036e+002 -2.372693e+001
2.767679e+002 -2.424071e+001
2.777321e+002 -2.488077e+001
2.786964e+002 -2.556256e+001
2.796606e+002 -2.563190e+001
2.806248e+002 -2.416636e+001
2.815891e+002 -2.305284e+001
2.825533e+002 -2.295764e+001
2.835175e+002 -2.387864e+001
2.844818e+002 -2.470536e+001
2.854460e+002 -2.429425e+001
2.864102e+002 -2.394160e+001
2.873745e+002 -2.425378e+001
2.883387e+002 -2.524989e+001
2.893029e+002 -2.613921e+001
2.902672e+002 -2.560666e+001
2.912314e+002 -2.470139e+001
2.921956e+002 -2.415486e+001
2.931599e+002 -2.427368e+001
2.941241e+002 -2.488587e+001
2.950883e+002 -2.518418e+001
2.960526e+002 -2.523461e+001
2.970168e+002 -2.516480e+001
2.979810e+002 -2.502085e+001
2.989453e+002 -2.480495e+001
2.999095e+002 -2.507218e+001
3.008737e+002 -2.606198e+001
3.018380e+002 -2.684772e+001
3.028022e+002 -2.687101e+001
3.037664e+002 -2.590777e+001
3.047307e+002 -2.492693e+001
3.056949e+002 -2.431118e+001
3.066591e+002 -2.392090e+001
3.076234e+002 -2.389160e+001
3.085876e+002 -2.434820e+001
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3.105161e+002 -2.416443e+001
3.114803e+002 -2.266945e+001
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3.134088e+002 -2.105775e+001
3.143730e+002 -2.195833e+001
3.153372e+002 -2.274857e+001
3.163015e+002 -2.318064e+001
3.172657e+002 -2.338615e+001
3.182299e+002 -2.367543e+001
3.191942e+002 -2.463965e+001
3.201584e+002 -2.536814e+001
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3.326934e+002 -2.494844e+001
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3.346219e+002 -2.511276e+001
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3.365504e+002 -2.469802e+001
3.375146e+002 -2.420679e+001
3.384788e+002 -2.372784e+001
3.394431e+002 -2.348960e+001
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3.413715e+002 -2.263027e+001
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3.461927e+002 -2.197450e+001
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3.982613e+002 -1.177094e+001
3.992255e+002 -1.259030e+001
4.001897e+002 -1.307003e+001
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4.021182e+002 -1.372737e+001
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4.040467e+002 -1.448592e+001
4.050109e+002 -1.420916e+001
4.059751e+002 -1.336272e+001
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4.175459e+002 -8.456467e+000
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loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
_rod_maintainer_comment.date
_rod_maintainer_comment.text
1 elmendili 2017-10-06T14:49:53+0300 'COD entry is wrong'