#------------------------------------------------------------------------------
#$Date: 2018-07-20 14:21:17 +0300 (Fri, 20 Jul 2018) $
#$Revision: 1268 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500153.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_3500153
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 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 180
_raman_measurement.range_min     5.133105e+001
_raman_measurement.range_max     2.500483e+003
_rod_data_source.file            Anatase.rod
_rod_data_source.block           1000005
_rod_database.code               3500153
_solsa_sample.id                 CN-AA00-0108
_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 1010942 COD http://www.crystallography.net/cod/1010942.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.036682e+001 2.438592e+002
5.133105e+001 2.392463e+002
5.229529e+001 2.354757e+002
5.325952e+001 2.328973e+002
5.422375e+001 2.324764e+002
5.518799e+001 2.343355e+002
5.615222e+001 2.366107e+002
5.711646e+001 2.370961e+002
5.808069e+001 2.359104e+002
5.904492e+001 2.340080e+002
6.000916e+001 2.308435e+002
6.097339e+001 2.272119e+002
6.193762e+001 2.246451e+002
6.290186e+001 2.239511e+002
6.386609e+001 2.249602e+002
6.483032e+001 2.255869e+002
6.579456e+001 2.247944e+002
6.675879e+001 2.244616e+002
6.772302e+001 2.261294e+002
6.868726e+001 2.299129e+002
6.965149e+001 2.343502e+002
7.061572e+001 2.375546e+002
7.157996e+001 2.387463e+002
7.254419e+001 2.403098e+002
7.350842e+001 2.428349e+002
7.447266e+001 2.459691e+002
7.543689e+001 2.491064e+002
7.640112e+001 2.519877e+002
7.736536e+001 2.546522e+002
7.832959e+001 2.574715e+002
7.929382e+001 2.609076e+002
8.025806e+001 2.643602e+002
8.122229e+001 2.670668e+002
8.218652e+001 2.690373e+002
8.315076e+001 2.714372e+002
8.411499e+001 2.756509e+002
8.507922e+001 2.823233e+002
8.604346e+001 2.895662e+002
8.700769e+001 2.977671e+002
8.797192e+001 3.063833e+002
8.893616e+001 3.143756e+002
8.990039e+001 3.210848e+002
9.086462e+001 3.266695e+002
9.182886e+001 3.328811e+002
9.279309e+001 3.394667e+002
9.375732e+001 3.467261e+002
9.472156e+001 3.552621e+002
9.568579e+001 3.649429e+002
9.665002e+001 3.745672e+002
9.761425e+001 3.825966e+002
9.857848e+001 3.863346e+002
9.954272e+001 3.942017e+002
1.005070e+002 4.086283e+002
1.014712e+002 4.265488e+002
1.024354e+002 4.449418e+002
1.033997e+002 4.627859e+002
1.043639e+002 4.801589e+002
1.053281e+002 4.973401e+002
1.062924e+002 5.115856e+002
1.072566e+002 5.276432e+002
1.082208e+002 5.473904e+002
1.091851e+002 5.704863e+002
1.101493e+002 5.952987e+002
1.111135e+002 6.200923e+002
1.120778e+002 6.435724e+002
1.130420e+002 6.725374e+002
1.140062e+002 7.077050e+002
1.149705e+002 7.470165e+002
1.159347e+002 7.885862e+002
1.168989e+002 8.317206e+002
1.178632e+002 8.780528e+002
1.188274e+002 9.316187e+002
1.197916e+002 9.879506e+002
1.207559e+002 1.057404e+003
1.217201e+002 1.140378e+003
1.226843e+002 1.237312e+003
1.236486e+002 1.347767e+003
1.246128e+002 1.469049e+003
1.255770e+002 1.597706e+003
1.265413e+002 1.763455e+003
1.275055e+002 1.949448e+003
1.284697e+002 2.182319e+003
1.294340e+002 2.454386e+003
1.303982e+002 2.772412e+003
1.313624e+002 3.178216e+003
1.323267e+002 3.713651e+003
1.332909e+002 4.300941e+003
1.342551e+002 5.198166e+003
1.352194e+002 6.338810e+003
1.361836e+002 7.772036e+003
1.371478e+002 9.599050e+003
1.381121e+002 1.196956e+004
1.390763e+002 1.477225e+004
1.400405e+002 1.734419e+004
1.410048e+002 2.022142e+004
1.419690e+002 2.219825e+004
1.429332e+002 2.280515e+004
1.438974e+002 2.209931e+004
1.448617e+002 2.053373e+004
1.458259e+002 1.821904e+004
1.467901e+002 1.502891e+004
1.477544e+002 1.215534e+004
1.487186e+002 9.811385e+003
1.496828e+002 7.860995e+003
1.506471e+002 6.274776e+003
1.516113e+002 5.089015e+003
1.525755e+002 4.197550e+003
1.535398e+002 3.472990e+003
1.545040e+002 2.936266e+003
1.554682e+002 2.507043e+003
1.564325e+002 2.165670e+003
1.573967e+002 1.895609e+003
1.583609e+002 1.669350e+003
1.593252e+002 1.485967e+003
1.602894e+002 1.337867e+003
1.612536e+002 1.207857e+003
1.622179e+002 1.095139e+003
1.631821e+002 9.972162e+002
1.641463e+002 9.107620e+002
1.651106e+002 8.369194e+002
1.660748e+002 7.701313e+002
1.670390e+002 7.069032e+002
1.680033e+002 6.478722e+002
1.689675e+002 5.960716e+002
1.699317e+002 5.539772e+002
1.708960e+002 5.216063e+002
1.718602e+002 4.917602e+002
1.728244e+002 4.657241e+002
1.737887e+002 4.417157e+002
1.747529e+002 4.190453e+002
1.757171e+002 3.974112e+002
1.766814e+002 3.756711e+002
1.776456e+002 3.525104e+002
1.786098e+002 3.254564e+002
1.795741e+002 3.031914e+002
1.805383e+002 2.888853e+002
1.815025e+002 2.783876e+002
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1.834310e+002 2.547124e+002
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1.853595e+002 2.294365e+002
1.863237e+002 2.182511e+002
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1.892164e+002 2.127459e+002
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1.911449e+002 2.408587e+002
1.921091e+002 2.673901e+002
1.930733e+002 2.983020e+002
1.940376e+002 3.513173e+002
1.950018e+002 3.942555e+002
1.959660e+002 4.155480e+002
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1.978945e+002 3.951749e+002
1.988587e+002 3.588342e+002
1.998230e+002 3.002632e+002
2.007872e+002 2.494737e+002
2.017514e+002 2.153606e+002
2.027157e+002 1.909047e+002
2.036799e+002 1.722148e+002
2.046441e+002 1.595216e+002
2.056084e+002 1.506121e+002
2.065726e+002 1.430052e+002
2.075368e+002 1.368221e+002
2.085011e+002 1.315022e+002
2.094653e+002 1.268646e+002
2.104296e+002 1.227016e+002
2.113938e+002 1.189095e+002
2.123580e+002 1.157172e+002
2.133223e+002 1.128643e+002
2.142865e+002 1.101725e+002
2.152507e+002 1.077478e+002
2.162150e+002 1.050691e+002
2.171792e+002 1.011737e+002
2.181434e+002 9.513272e+001
2.191077e+002 9.025415e+001
2.200719e+002 8.789435e+001
2.210361e+002 8.710840e+001
2.220004e+002 8.644980e+001
2.229646e+002 8.524332e+001
2.239288e+002 8.341879e+001
2.248931e+002 8.110135e+001
2.258573e+002 7.764865e+001
2.268215e+002 7.464505e+001
2.277858e+002 7.220898e+001
2.287500e+002 7.045331e+001
2.297142e+002 6.962335e+001
2.306785e+002 7.035693e+001
2.316427e+002 7.297491e+001
2.326069e+002 7.356650e+001
2.335712e+002 6.981470e+001
2.345354e+002 6.605142e+001
2.354996e+002 6.393289e+001
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2.374281e+002 6.382468e+001
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2.422492e+002 5.772659e+001
2.432135e+002 5.680701e+001
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2.470704e+002 6.049496e+001
2.480346e+002 5.887338e+001
2.489989e+002 5.542966e+001
2.499631e+002 5.042242e+001
2.509273e+002 4.799857e+001
2.518916e+002 5.059610e+001
2.528558e+002 5.434836e+001
2.538200e+002 5.627454e+001
2.547843e+002 5.597437e+001
2.557485e+002 5.438919e+001
2.567127e+002 5.253110e+001
2.576770e+002 4.967627e+001
2.586412e+002 4.830566e+001
2.596054e+002 4.974329e+001
2.605697e+002 5.183313e+001
2.615339e+002 5.256873e+001
2.624981e+002 5.121429e+001
2.634624e+002 4.889453e+001
2.644266e+002 4.804282e+001
2.653908e+002 4.943494e+001
2.663551e+002 5.119046e+001
2.673193e+002 5.360800e+001
2.682835e+002 5.589606e+001
2.692478e+002 5.697626e+001
2.702120e+002 5.575601e+001
2.711762e+002 5.334570e+001
2.721405e+002 5.205057e+001
2.731047e+002 5.200177e+001
2.740689e+002 5.252121e+001
2.750332e+002 5.348990e+001
2.759974e+002 5.477917e+001
2.769616e+002 5.536447e+001
2.779259e+002 5.466394e+001
2.788901e+002 5.344360e+001
2.798543e+002 5.240759e+001
2.808186e+002 5.154834e+001
2.817828e+002 5.124927e+001
2.827470e+002 5.221057e+001
2.837113e+002 5.596140e+001
2.846755e+002 5.879932e+001
2.856397e+002 5.984033e+001
2.866040e+002 6.014594e+001
2.875682e+002 6.091714e+001
2.885324e+002 6.268689e+001
2.894967e+002 6.507578e+001
2.904609e+002 6.696854e+001
2.914251e+002 6.811459e+001
2.923894e+002 6.896548e+001
2.933536e+002 6.963593e+001
2.943178e+002 7.016928e+001
2.952821e+002 7.059473e+001
2.962463e+002 7.078030e+001
2.972105e+002 7.091290e+001
2.981748e+002 7.149081e+001
2.991390e+002 7.252539e+001
3.001032e+002 7.385052e+001
3.010675e+002 7.571237e+001
3.020317e+002 7.805157e+001
3.029959e+002 7.948700e+001
3.039602e+002 7.885199e+001
3.049244e+002 7.729755e+001
3.058886e+002 7.646152e+001
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3.078171e+002 7.779227e+001
3.087813e+002 7.888913e+001
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3.107098e+002 8.122580e+001
3.116740e+002 8.183136e+001
3.126383e+002 8.226215e+001
3.136025e+002 8.293616e+001
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3.155310e+002 8.531839e+001
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3.203521e+002 7.895596e+001
3.213164e+002 8.085922e+001
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3.232448e+002 8.297507e+001
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3.406010e+002 8.144666e+001
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