#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500105.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_3500105
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        'B2 O3'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.3358
_cell_length_b                   4.3358
_cell_length_c                   8.339
_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 600
_raman_measurement.range_min     5.050586e+001
_raman_measurement.range_max     2.000186e+003
_rod_data_source.file            B2O3.rod
_rod_data_source.block           1000005
_rod_database.code               3500105
_solsa_sample.id                 CN-AA00-0093
_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 3500079 COD http://www.crystallography.net/cod/3500079.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.050586e+001 1.978909e+001
5.147009e+001 1.577001e+001
5.243433e+001 1.208383e+001
5.339856e+001 8.908955e+000
5.436279e+001 6.325085e+000
5.532703e+001 4.329170e+000
5.629126e+001 3.014668e+000
5.725549e+001 2.921322e+000
5.821973e+001 3.443760e+000
5.918396e+001 3.647263e+000
6.014819e+001 3.320065e+000
6.111243e+001 2.617125e+000
6.207666e+001 1.753309e+000
6.304089e+001 4.747829e-001
6.400513e+001 -6.526051e-001
6.496936e+001 -1.160345e+000
6.593359e+001 -1.059776e+000
6.689783e+001 -8.078823e-001
6.786206e+001 -6.721439e-001
6.882629e+001 -6.521988e-001
6.979053e+001 -6.042862e-001
7.075476e+001 -4.751511e-001
7.171899e+001 -2.583847e-001
7.268323e+001 2.362061e-002
7.364746e+001 4.989090e-001
7.461169e+001 9.658737e-001
7.557593e+001 1.059118e+000
7.654016e+001 6.019115e-001
7.750439e+001 8.433533e-002
7.846863e+001 -8.113861e-003
7.943286e+001 3.310699e-001
8.039709e+001 7.745152e-001
8.136133e+001 1.283991e+000
8.232556e+001 1.817421e+000
8.328979e+001 2.047861e+000
8.425403e+001 1.668100e+000
8.521826e+001 9.598408e-001
8.618250e+001 4.423103e-001
8.714673e+001 6.667137e-002
8.811096e+001 -4.046822e-002
8.907520e+001 3.910942e-001
9.003943e+001 1.499815e+000
9.100366e+001 2.681141e+000
9.196790e+001 3.301394e+000
9.293213e+001 3.369644e+000
9.389636e+001 3.489929e+000
9.486060e+001 3.853884e+000
9.582483e+001 4.465315e+000
9.678906e+001 5.313492e+000
9.775330e+001 6.377972e+000
9.871753e+001 7.751038e+000
9.968176e+001 9.453966e+000
1.006460e+002 1.177890e+001
1.016102e+002 1.425572e+001
1.025745e+002 1.665139e+001
1.035387e+002 1.899177e+001
1.045029e+002 2.102236e+001
1.054672e+002 2.247060e+001
1.064314e+002 2.334512e+001
1.073956e+002 2.367489e+001
1.083599e+002 2.308610e+001
1.093241e+002 2.201843e+001
1.102883e+002 2.119217e+001
1.112526e+002 2.081920e+001
1.122168e+002 2.084977e+001
1.131810e+002 2.110965e+001
1.141453e+002 2.177702e+001
1.151095e+002 2.246714e+001
1.160737e+002 2.295698e+001
1.170380e+002 2.328738e+001
1.180022e+002 2.367560e+001
1.189664e+002 2.426611e+001
1.199307e+002 2.507397e+001
1.208949e+002 2.595892e+001
1.218591e+002 2.713137e+001
1.228234e+002 2.828705e+001
1.237876e+002 2.910852e+001
1.247518e+002 2.951321e+001
1.257161e+002 2.968344e+001
1.266803e+002 2.994693e+001
1.276445e+002 3.050776e+001
1.286088e+002 3.088404e+001
1.295730e+002 3.109530e+001
1.305372e+002 3.108247e+001
1.315015e+002 3.073255e+001
1.324657e+002 2.997909e+001
1.334299e+002 2.881794e+001
1.343942e+002 2.721313e+001
1.353584e+002 2.489442e+001
1.363226e+002 2.243521e+001
1.372869e+002 2.007171e+001
1.382511e+002 1.785012e+001
1.392153e+002 1.571488e+001
1.401796e+002 1.359061e+001
1.411438e+002 1.132706e+001
1.421080e+002 9.383701e+000
1.430723e+002 7.895636e+000
1.440365e+002 6.670286e+000
1.450007e+002 5.477020e+000
1.459650e+002 4.185629e+000
1.469292e+002 2.878496e+000
1.478934e+002 1.954372e+000
1.488577e+002 1.769339e+000
1.498219e+002 1.639450e+000
1.507861e+002 1.464884e+000
1.517504e+002 1.225611e+000
1.527146e+002 9.289665e-001
1.536788e+002 5.653763e-001
1.546431e+002 1.151695e-001
1.556073e+002 -2.919598e-001
1.565715e+002 -6.909599e-001
1.575358e+002 -1.023611e+000
1.585000e+002 -1.249929e+000
1.594642e+002 -1.356134e+000
1.604285e+002 -1.371296e+000
1.613927e+002 -1.306314e+000
1.623569e+002 -1.091507e+000
1.633212e+002 -9.844513e-001
1.642854e+002 -1.167046e+000
1.652496e+002 -1.485123e+000
1.662139e+002 -1.723814e+000
1.671781e+002 -1.746433e+000
1.681423e+002 -1.608788e+000
1.691066e+002 -1.492611e+000
1.700708e+002 -1.429649e+000
1.710350e+002 -1.338669e+000
1.719993e+002 -1.158466e+000
1.729635e+002 -8.877831e-001
1.739277e+002 -5.806904e-001
1.748920e+002 -2.884083e-001
1.758562e+002 8.317947e-003
1.768204e+002 3.943520e-001
1.777847e+002 8.801937e-001
1.787489e+002 1.487652e+000
1.797132e+002 2.220295e+000
1.806774e+002 3.329540e+000
1.816416e+002 4.380228e+000
1.826059e+002 5.134886e+000
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1.845343e+002 5.742308e+000
1.854986e+002 5.530870e+000
1.864628e+002 4.869778e+000
1.874270e+002 4.145365e+000
1.883913e+002 3.097506e+000
1.893555e+002 2.122858e+000
1.903197e+002 1.585588e+000
1.912840e+002 1.570803e+000
1.922482e+002 1.944071e+000
1.932124e+002 2.468966e+000
1.941767e+002 3.178417e+000
1.951409e+002 3.999475e+000
1.961051e+002 4.775732e+000
1.970694e+002 5.681934e+000
1.980336e+002 6.932247e+000
1.989978e+002 8.636856e+000
1.999621e+002 1.079490e+001
2.009263e+002 1.331951e+001
2.018905e+002 1.634737e+001
2.028548e+002 1.964433e+001
2.038190e+002 2.349081e+001
2.047832e+002 2.766389e+001
2.057475e+002 3.154996e+001
2.067117e+002 3.483371e+001
2.076759e+002 3.759597e+001
2.086402e+002 3.908215e+001
2.096044e+002 3.863624e+001
2.105686e+002 3.716582e+001
2.115329e+002 3.499834e+001
2.124971e+002 3.215708e+001
2.134613e+002 2.894592e+001
2.144256e+002 2.556080e+001
2.153898e+002 2.195814e+001
2.163540e+002 1.851978e+001
2.173183e+002 1.526671e+001
2.182825e+002 1.235067e+001
2.192467e+002 1.001427e+001
2.202110e+002 8.613639e+000
2.211752e+002 7.683943e+000
2.221394e+002 6.676901e+000
2.231037e+002 5.535700e+000
2.240679e+002 4.597598e+000
2.250321e+002 4.308559e+000
2.259964e+002 4.842220e+000
2.269606e+002 4.925049e+000
2.279248e+002 3.983768e+000
2.288891e+002 2.690861e+000
2.298533e+002 1.783749e+000
2.308175e+002 1.456518e+000
2.317818e+002 1.443026e+000
2.327460e+002 1.264322e+000
2.337102e+002 6.587944e-001
2.346745e+002 2.418814e-001
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2.366029e+002 3.253202e-001
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2.404599e+002 -8.441248e-001
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2.472095e+002 -1.175910e+000
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2.491380e+002 -1.201110e+000
2.501022e+002 -1.103094e+000
2.510664e+002 -1.167743e+000
2.520307e+002 -1.440541e+000
2.529949e+002 -1.708734e+000
2.539591e+002 -1.833331e+000
2.549234e+002 -1.829041e+000
2.558876e+002 -1.785032e+000
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2.578160e+002 -1.679065e+000
2.587803e+002 -1.545216e+000
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2.607087e+002 -9.537525e-001
2.616730e+002 -7.403812e-001
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2.684226e+002 -1.471606e+000
2.693868e+002 -1.291485e+000
2.703511e+002 -1.244811e+000
2.713153e+002 -1.239293e+000
2.722795e+002 -1.177220e+000
2.732438e+002 -1.053620e+000
2.742080e+002 -9.599524e-001
2.751722e+002 -8.368034e-001
2.761365e+002 -7.788296e-001
2.771007e+002 -8.685541e-001
2.780649e+002 -1.141185e+000
2.790292e+002 -1.455949e+000
2.799934e+002 -1.703205e+000
2.809576e+002 -1.883129e+000
2.819219e+002 -1.929922e+000
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2.838503e+002 -1.498624e+000
2.848146e+002 -1.214109e+000
2.857788e+002 -8.243561e-001
2.867430e+002 -5.205116e-001
2.877073e+002 -5.213318e-001
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2.896357e+002 -1.103668e+000
2.906000e+002 -1.186713e+000
2.915642e+002 -9.901695e-001
2.925284e+002 -8.442287e-001
2.934927e+002 -7.421331e-001
2.944569e+002 -6.780949e-001
2.954211e+002 -6.576948e-001
2.963854e+002 -6.783762e-001
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2.983138e+002 -7.590857e-001
2.992781e+002 -8.214731e-001
3.002423e+002 -8.092794e-001
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3.050635e+002 -6.941195e-001
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3.069920e+002 1.282406e-002
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3.089204e+002 4.939337e-001
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