#------------------------------------------------------------------------------
#$Date: 2017-10-06 15:19:35 +0300 (Fri, 06 Oct 2017) $
#$Revision: 229 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500012.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_3500012
loop_
_publ_author_name
'El Mendili, Y'
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Alfa Aesar 99.9%'
_chemical_formula_structural     'Mo O3'
_chemical_formula_sum            'Mo O3'
_chemical_name_mineral           Molybdite
_chemical_name_systematic        'Mo O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.825
_cell_length_b                   3.694
_cell_length_c                   3.954
_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.name   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 180
_raman_measurement.range_min     50.17309
_raman_measurement.range_max     2500.29
_rod_data_source.file            MoO3.rod
_rod_data_source.block           1000005
_rod_database.code               3500012
_solsa_sample.id                 CN-AA00-0013
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 1537654 COD http://www.crystallography.net/cod/1537654.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.017309e+001 1.267883e+002
5.113732e+001 1.176383e+002
5.210155e+001 1.129091e+002
5.306579e+001 1.107639e+002
5.403002e+001 1.096208e+002
5.499426e+001 1.088565e+002
5.595849e+001 1.081718e+002
5.692272e+001 1.074528e+002
5.788696e+001 1.066966e+002
5.885119e+001 1.058889e+002
5.981542e+001 1.042862e+002
6.077965e+001 1.022540e+002
6.174389e+001 1.011390e+002
6.270812e+001 1.016554e+002
6.367235e+001 1.041424e+002
6.463658e+001 1.067331e+002
6.560081e+001 1.097411e+002
6.656505e+001 1.129193e+002
6.752928e+001 1.158568e+002
6.849352e+001 1.174028e+002
6.945775e+001 1.197203e+002
7.042198e+001 1.214012e+002
7.138622e+001 1.238824e+002
7.235045e+001 1.287143e+002
7.331468e+001 1.203195e+002
7.427892e+001 1.336659e+002
7.524315e+001 1.746703e+002
7.620738e+001 2.486134e+002
7.717162e+001 3.632028e+002
7.813585e+001 5.816785e+002
7.910008e+001 8.362156e+002
8.006432e+001 1.069165e+003
8.102855e+001 1.238780e+003
8.199278e+001 1.335001e+003
8.295702e+001 1.326100e+003
8.392125e+001 1.198741e+003
8.488548e+001 1.018627e+003
8.584972e+001 8.730246e+002
8.681395e+001 7.848242e+002
8.777818e+001 7.179913e+002
8.874242e+001 6.654304e+002
8.970665e+001 6.314779e+002
9.067088e+001 6.291144e+002
9.163512e+001 6.753839e+002
9.259935e+001 7.505577e+002
9.356358e+001 8.805639e+002
9.452782e+001 1.062427e+003
9.549205e+001 1.224170e+003
9.645628e+001 1.284574e+003
9.742052e+001 1.266942e+003
9.838475e+001 1.154581e+003
9.934898e+001 9.356920e+002
1.003132e+002 6.266133e+002
1.012775e+002 4.180725e+002
1.022417e+002 3.031669e+002
1.032059e+002 2.536316e+002
1.041701e+002 2.243642e+002
1.051344e+002 2.196251e+002
1.060986e+002 2.405826e+002
1.070628e+002 2.444832e+002
1.080271e+002 2.590547e+002
1.089913e+002 4.051159e+002
1.099555e+002 7.798890e+002
1.109198e+002 1.248523e+003
1.118840e+002 1.896402e+003
1.128482e+002 2.715193e+003
1.138125e+002 3.373141e+003
1.147767e+002 3.525509e+003
1.157409e+002 3.401406e+003
1.167052e+002 3.063895e+003
1.176694e+002 2.568364e+003
1.186336e+002 1.997229e+003
1.195979e+002 1.609133e+003
1.205621e+002 1.387465e+003
1.215263e+002 1.367994e+003
1.224906e+002 1.607690e+003
1.234548e+002 2.295152e+003
1.244190e+002 2.942351e+003
1.253833e+002 3.736571e+003
1.263475e+002 4.534935e+003
1.273117e+002 4.814199e+003
1.282760e+002 3.961030e+003
1.292402e+002 3.043204e+003
1.302044e+002 2.150702e+003
1.311687e+002 1.341307e+003
1.321329e+002 7.210251e+002
1.330971e+002 4.498359e+002
1.340614e+002 3.232133e+002
1.350256e+002 2.700448e+002
1.359898e+002 2.400343e+002
1.369541e+002 2.298501e+002
1.379183e+002 2.258612e+002
1.388825e+002 2.268324e+002
1.398468e+002 2.321359e+002
1.408110e+002 2.411203e+002
1.417752e+002 2.542502e+002
1.427395e+002 2.741149e+002
1.437037e+002 2.961307e+002
1.446679e+002 3.255473e+002
1.456322e+002 3.730974e+002
1.465964e+002 4.065043e+002
1.475606e+002 5.056027e+002
1.485249e+002 6.384397e+002
1.494891e+002 8.272722e+002
1.504533e+002 1.165905e+003
1.514176e+002 1.784950e+003
1.523818e+002 2.538103e+003
1.533460e+002 3.519431e+003
1.543103e+002 4.706791e+003
1.552745e+002 5.800236e+003
1.562387e+002 6.284531e+003
1.572030e+002 6.327463e+003
1.581672e+002 5.929151e+003
1.591314e+002 5.091995e+003
1.600957e+002 3.776960e+003
1.610599e+002 2.729645e+003
1.620241e+002 1.930428e+003
1.629884e+002 1.331541e+003
1.639526e+002 8.867781e+002
1.649168e+002 6.910125e+002
1.658811e+002 5.425858e+002
1.668453e+002 4.415199e+002
1.678095e+002 3.750088e+002
1.687738e+002 3.233300e+002
1.697380e+002 2.868780e+002
1.707022e+002 2.578500e+002
1.716665e+002 2.348676e+002
1.726307e+002 2.169216e+002
1.735949e+002 2.025509e+002
1.745592e+002 1.921504e+002
1.755234e+002 1.837466e+002
1.764876e+002 1.758315e+002
1.774519e+002 1.679042e+002
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1.861300e+002 1.605194e+002
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1.890227e+002 1.940576e+002
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1.909511e+002 3.150471e+002
1.919154e+002 4.136309e+002
1.928796e+002 5.613438e+002
1.938438e+002 7.063549e+002
1.948081e+002 8.108127e+002
1.957723e+002 8.680300e+002
1.967365e+002 8.695823e+002
1.977008e+002 7.786511e+002
1.986650e+002 5.963824e+002
1.996292e+002 4.382849e+002
2.005935e+002 3.254452e+002
2.015577e+002 2.561071e+002
2.025219e+002 2.084654e+002
2.034862e+002 1.904098e+002
2.044504e+002 1.833911e+002
2.054146e+002 1.842048e+002
2.063788e+002 1.922435e+002
2.073431e+002 2.068000e+002
2.083073e+002 2.158671e+002
2.092715e+002 2.381186e+002
2.102358e+002 2.857004e+002
2.112000e+002 3.650266e+002
2.121642e+002 4.677824e+002
2.131285e+002 6.023267e+002
2.140927e+002 7.404564e+002
2.150569e+002 8.512659e+002
2.160212e+002 9.060467e+002
2.169854e+002 8.963033e+002
2.179496e+002 8.397081e+002
2.189139e+002 7.333343e+002
2.198781e+002 6.082643e+002
2.208423e+002 5.082130e+002
2.218066e+002 4.465122e+002
2.227708e+002 3.982274e+002
2.237350e+002 3.651784e+002
2.246993e+002 3.445570e+002
2.256635e+002 3.306811e+002
2.266277e+002 3.213409e+002
2.275920e+002 3.206317e+002
2.285562e+002 3.297281e+002
2.295204e+002 3.482095e+002
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2.314489e+002 4.078504e+002
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2.343416e+002 5.652585e+002
2.353058e+002 6.398832e+002
2.362701e+002 7.292526e+002
2.372343e+002 8.313508e+002
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2.391628e+002 1.110898e+003
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2.478409e+002 1.163053e+003
2.488051e+002 9.578555e+002
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2.507336e+002 6.760128e+002
2.516978e+002 5.876248e+002
2.526620e+002 5.225922e+002
2.536263e+002 4.748374e+002
2.545905e+002 4.377644e+002
2.555547e+002 4.129937e+002
2.565190e+002 3.933386e+002
2.574832e+002 3.786363e+002
2.584474e+002 3.688491e+002
2.594117e+002 3.638217e+002
2.603759e+002 3.639131e+002
2.613401e+002 3.694276e+002
2.623044e+002 3.778326e+002
2.632686e+002 3.917948e+002
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2.651971e+002 4.459611e+002
2.661613e+002 4.929998e+002
2.671255e+002 5.538383e+002
2.680898e+002 6.291470e+002
2.690540e+002 7.196790e+002
2.700182e+002 8.260755e+002
2.709825e+002 9.557402e+002
2.719467e+002 1.103751e+003
2.729109e+002 1.275203e+003
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2.748394e+002 1.755846e+003
2.758036e+002 2.100923e+003
2.767679e+002 2.515048e+003
2.777321e+002 3.017448e+003
2.786964e+002 3.600369e+003
2.796606e+002 4.164287e+003
2.806248e+002 4.813467e+003
2.815891e+002 5.329696e+003
2.825533e+002 5.624752e+003
2.835175e+002 5.704818e+003
2.844818e+002 5.746318e+003
2.854460e+002 5.782747e+003
2.864102e+002 5.854597e+003
2.873745e+002 6.068121e+003
2.883387e+002 6.412134e+003
2.893029e+002 6.695729e+003
2.902672e+002 6.529187e+003
2.912314e+002 6.072126e+003
2.921956e+002 5.369326e+003
2.931599e+002 4.455104e+003
2.941241e+002 3.365195e+003
2.950883e+002 2.550644e+003
2.960526e+002 1.973536e+003
2.970168e+002 1.534327e+003
2.979810e+002 1.202349e+003
2.989453e+002 9.948202e+002
2.999095e+002 8.342893e+002
3.008737e+002 7.225712e+002
3.018380e+002 6.363964e+002
3.028022e+002 5.669999e+002
3.037664e+002 5.126923e+002
3.047307e+002 4.694460e+002
3.056949e+002 4.351549e+002
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3.076234e+002 3.836906e+002
3.085876e+002 3.650191e+002
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3.105161e+002 3.343084e+002
3.114803e+002 3.193967e+002
3.124445e+002 3.061036e+002
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3.191942e+002 2.694004e+002
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loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
_rod_maintainer_comment.date
_rod_maintainer_comment.text
1 elmendili 2017-10-06T15:18:58+0300 'COD entry is wrong'
2 elmendili 2017-10-06T15:19:34+0300 'COD entry is wrong'