#------------------------------------------------------------------------------
#$Date: 2018-07-20 14:21:17 +0300 (Fri, 20 Jul 2018) $
#$Revision: 1268 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500017.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_3500017
loop_
_publ_author_name
'El Mendili, Y'
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Prolabo pur'
_chemical_formula_structural     'O2 Ti'
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Anatase
_chemical_name_systematic        'titanium(IV) oxide'
_space_group_IT_number           141
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw 2bw -1bw'
_symmetry_space_group_name_H-M   'I 41/a m d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.73
_cell_length_b                   3.73
_cell_length_c                   9.37
_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 180
_raman_measurement.range_min     50.17309
_raman_measurement.range_max     2500.29
_rod_data_source.file            Anatase.rod
_rod_data_source.block           1000005
_rod_database.code               3500017
_solsa_sample.id                 CN-AA00-0018
_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 1010942 COD http://www.crystallography.net/cod/1010942.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.017309e+001 3.721310e+002
5.113732e+001 3.744129e+002
5.210155e+001 3.773023e+002
5.306579e+001 3.802493e+002
5.403002e+001 3.828695e+002
5.499426e+001 3.850367e+002
5.595849e+001 3.869389e+002
5.692272e+001 3.890425e+002
5.788696e+001 3.912676e+002
5.885119e+001 3.932799e+002
5.981542e+001 3.927537e+002
6.077965e+001 3.905236e+002
6.174389e+001 3.891357e+002
6.270812e+001 3.898890e+002
6.367235e+001 3.933198e+002
6.463658e+001 3.972693e+002
6.560081e+001 4.023847e+002
6.656505e+001 4.080633e+002
6.752928e+001 4.134529e+002
6.849352e+001 4.166498e+002
6.945775e+001 4.206293e+002
7.042198e+001 4.260239e+002
7.138622e+001 4.321772e+002
7.235045e+001 4.380803e+002
7.331468e+001 4.445723e+002
7.427892e+001 4.507416e+002
7.524315e+001 4.550163e+002
7.620738e+001 4.575123e+002
7.717162e+001 4.601257e+002
7.813585e+001 4.677162e+002
7.910008e+001 4.774670e+002
8.006432e+001 4.873398e+002
8.102855e+001 4.960287e+002
8.199278e+001 5.041857e+002
8.295702e+001 5.130853e+002
8.392125e+001 5.211611e+002
8.488548e+001 5.295520e+002
8.584972e+001 5.403206e+002
8.681395e+001 5.570925e+002
8.777818e+001 5.719841e+002
8.874242e+001 5.845670e+002
8.970665e+001 5.956857e+002
9.067088e+001 6.075826e+002
9.163512e+001 6.203853e+002
9.259935e+001 6.336036e+002
9.356358e+001 6.470245e+002
9.452782e+001 6.609971e+002
9.549205e+001 6.770027e+002
9.645628e+001 6.960072e+002
9.742052e+001 7.168762e+002
9.838475e+001 7.391599e+002
9.934898e+001 7.625204e+002
1.003132e+002 7.866606e+002
1.012775e+002 8.112067e+002
1.022417e+002 8.364916e+002
1.032059e+002 8.628851e+002
1.041701e+002 8.909886e+002
1.051344e+002 9.220353e+002
1.060986e+002 9.571923e+002
1.070628e+002 9.960415e+002
1.080271e+002 1.037837e+003
1.089913e+002 1.080922e+003
1.099555e+002 1.120610e+003
1.109198e+002 1.165600e+003
1.118840e+002 1.218758e+003
1.128482e+002 1.281359e+003
1.138125e+002 1.350843e+003
1.147767e+002 1.422301e+003
1.157409e+002 1.498015e+003
1.167052e+002 1.579048e+003
1.176694e+002 1.666429e+003
1.186336e+002 1.766087e+003
1.195979e+002 1.880292e+003
1.205621e+002 2.007235e+003
1.215263e+002 2.151871e+003
1.224906e+002 2.323035e+003
1.234548e+002 2.526770e+003
1.244190e+002 2.769920e+003
1.253833e+002 3.035940e+003
1.263475e+002 3.336926e+003
1.273117e+002 3.721960e+003
1.282760e+002 4.175823e+003
1.292402e+002 4.751987e+003
1.302044e+002 5.387906e+003
1.311687e+002 6.103691e+003
1.321329e+002 7.142800e+003
1.330971e+002 9.141392e+003
1.340614e+002 1.123649e+004
1.350256e+002 1.299872e+004
1.359898e+002 1.416367e+004
1.369541e+002 1.480807e+004
1.379183e+002 1.517087e+004
1.388825e+002 1.531841e+004
1.398468e+002 1.534680e+004
1.408110e+002 1.536587e+004
1.417752e+002 1.536536e+004
1.427395e+002 1.535133e+004
1.437037e+002 1.533599e+004
1.446679e+002 1.532581e+004
1.456322e+002 1.533042e+004
1.465964e+002 1.578847e+004
1.475606e+002 1.570083e+004
1.485249e+002 1.478731e+004
1.494891e+002 1.316322e+004
1.504533e+002 1.139278e+004
1.514176e+002 9.598333e+003
1.523818e+002 7.969984e+003
1.533460e+002 6.619474e+003
1.543103e+002 5.574282e+003
1.552745e+002 4.776479e+003
1.562387e+002 4.157637e+003
1.572030e+002 3.656727e+003
1.581672e+002 3.237532e+003
1.591314e+002 2.872842e+003
1.600957e+002 2.568946e+003
1.610599e+002 2.309974e+003
1.620241e+002 2.096094e+003
1.629884e+002 1.913534e+003
1.639526e+002 1.746658e+003
1.649168e+002 1.598174e+003
1.658811e+002 1.468964e+003
1.668453e+002 1.358924e+003
1.678095e+002 1.264404e+003
1.687738e+002 1.179158e+003
1.697380e+002 1.106129e+003
1.707022e+002 1.039281e+003
1.716665e+002 9.764067e+002
1.726307e+002 9.171619e+002
1.735949e+002 8.611750e+002
1.745592e+002 8.097866e+002
1.755234e+002 7.627391e+002
1.764876e+002 7.212581e+002
1.774519e+002 6.856959e+002
1.784161e+002 6.552782e+002
1.793803e+002 6.238860e+002
1.803446e+002 5.913539e+002
1.813088e+002 5.602877e+002
1.822730e+002 5.323002e+002
1.832373e+002 5.074822e+002
1.842015e+002 4.875076e+002
1.851657e+002 4.717552e+002
1.861300e+002 4.600486e+002
1.870942e+002 4.503204e+002
1.880584e+002 4.366677e+002
1.890227e+002 4.395038e+002
1.899869e+002 4.575638e+002
1.909511e+002 4.931872e+002
1.919154e+002 5.530691e+002
1.928796e+002 6.575541e+002
1.938438e+002 7.689652e+002
1.948081e+002 8.636976e+002
1.957723e+002 9.331232e+002
1.967365e+002 9.627562e+002
1.977008e+002 9.054370e+002
1.986650e+002 7.618149e+002
1.996292e+002 6.304993e+002
2.005935e+002 5.279158e+002
2.015577e+002 4.531182e+002
2.025219e+002 3.958771e+002
2.034862e+002 3.636832e+002
2.044504e+002 3.396986e+002
2.054146e+002 3.214022e+002
2.063788e+002 3.081128e+002
2.073431e+002 2.956746e+002
2.083073e+002 2.832354e+002
2.092715e+002 2.714168e+002
2.102358e+002 2.608997e+002
2.112000e+002 2.523065e+002
2.121642e+002 2.454855e+002
2.131285e+002 2.395091e+002
2.140927e+002 2.337180e+002
2.150569e+002 2.275306e+002
2.160212e+002 2.204570e+002
2.169854e+002 2.128858e+002
2.179496e+002 2.074063e+002
2.189139e+002 2.040684e+002
2.198781e+002 2.018503e+002
2.208423e+002 1.993172e+002
2.218066e+002 1.960669e+002
2.227708e+002 1.925911e+002
2.237350e+002 1.894126e+002
2.246993e+002 1.864220e+002
2.256635e+002 1.831196e+002
2.266277e+002 1.780177e+002
2.275920e+002 1.732883e+002
2.285562e+002 1.698842e+002
2.295204e+002 1.675981e+002
2.304847e+002 1.655569e+002
2.314489e+002 1.623829e+002
2.324131e+002 1.592601e+002
2.333774e+002 1.574026e+002
2.343416e+002 1.569433e+002
2.353058e+002 1.573338e+002
2.362701e+002 1.562289e+002
2.372343e+002 1.536396e+002
2.381985e+002 1.512673e+002
2.391628e+002 1.497731e+002
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2.410912e+002 1.478714e+002
2.420555e+002 1.458240e+002
2.430197e+002 1.442579e+002
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2.449482e+002 1.452104e+002
2.459124e+002 1.453091e+002
2.468766e+002 1.421824e+002
2.478409e+002 1.383703e+002
2.488051e+002 1.354183e+002
2.497693e+002 1.343438e+002
2.507336e+002 1.344950e+002
2.516978e+002 1.349650e+002
2.526620e+002 1.355409e+002
2.536263e+002 1.359119e+002
2.545905e+002 1.357644e+002
2.555547e+002 1.350758e+002
2.565190e+002 1.351350e+002
2.574832e+002 1.362840e+002
2.584474e+002 1.376786e+002
2.594117e+002 1.379498e+002
2.603759e+002 1.351257e+002
2.613401e+002 1.337411e+002
2.623044e+002 1.346732e+002
2.632686e+002 1.368417e+002
2.642328e+002 1.386314e+002
2.651971e+002 1.395037e+002
2.661613e+002 1.399558e+002
2.671255e+002 1.391817e+002
2.680898e+002 1.377919e+002
2.690540e+002 1.370497e+002
2.700182e+002 1.396001e+002
2.709825e+002 1.429942e+002
2.719467e+002 1.440294e+002
2.729109e+002 1.427492e+002
2.738752e+002 1.405461e+002
2.748394e+002 1.409715e+002
2.758036e+002 1.440504e+002
2.767679e+002 1.471373e+002
2.777321e+002 1.498834e+002
2.786964e+002 1.523400e+002
2.796606e+002 1.545880e+002
2.806248e+002 1.561430e+002
2.815891e+002 1.580706e+002
2.825533e+002 1.610227e+002
2.835175e+002 1.647998e+002
2.844818e+002 1.675975e+002
2.854460e+002 1.670416e+002
2.864102e+002 1.665369e+002
2.873745e+002 1.676199e+002
2.883387e+002 1.708192e+002
2.893029e+002 1.754233e+002
2.902672e+002 1.802025e+002
2.912314e+002 1.846018e+002
2.921956e+002 1.880917e+002
2.931599e+002 1.905515e+002
2.941241e+002 1.922648e+002
2.950883e+002 1.958966e+002
2.960526e+002 2.016863e+002
2.970168e+002 2.070613e+002
2.979810e+002 2.101075e+002
2.989453e+002 2.098229e+002
2.999095e+002 2.108974e+002
3.008737e+002 2.155022e+002
3.018380e+002 2.200431e+002
3.028022e+002 2.220889e+002
3.037664e+002 2.203946e+002
3.047307e+002 2.189407e+002
3.056949e+002 2.198085e+002
3.066591e+002 2.222017e+002
3.076234e+002 2.259637e+002
3.085876e+002 2.309153e+002
3.095518e+002 2.361063e+002
3.105161e+002 2.398087e+002
3.114803e+002 2.423082e+002
3.124445e+002 2.438210e+002
3.134088e+002 2.445334e+002
3.143730e+002 2.443682e+002
3.153372e+002 2.440777e+002
3.163015e+002 2.439786e+002
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3.182299e+002 2.442601e+002
3.191942e+002 2.441618e+002
3.201584e+002 2.430808e+002
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3.220869e+002 2.385638e+002
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4.107963e+002 8.181602e+002
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4.136890e+002 6.543330e+002
4.146532e+002 6.103605e+002
4.156175e+002 5.696566e+002
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