#------------------------------------------------------------------------------
#$Date: 2019-03-18 16:50:16 +0200 (Mon, 18 Mar 2019) $
#$Revision: 1330 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500020.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_3500020
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial zirconium(IV) oxide
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2019
_chemical_compound_source        'commercial powder Alfa Aesar 99%'
_chemical_formula_structural     'Zr O2'
_chemical_formula_sum            'O2 Zr'
_chemical_name_mineral           'zirconium oxide'
_chemical_name_systematic        'zirconium(IV) oxide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.164
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1487
_cell_length_b                   5.2023
_cell_length_c                   5.3231
_cell_volume                     140.760
_cod_original_formula_sum        'Zr O2'
_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            3500020.rod
_rod_data_source.block           3500020
_rod_database.code               3500020
_solsa_sample.id                 CN-AA00-0021
_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 2300544 COD http://www.crystallography.net/cod/2300544.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.017309e+001 2.852041e+002
5.113732e+001 2.735856e+002
5.210155e+001 2.646978e+002
5.306579e+001 2.577188e+002
5.403002e+001 2.521083e+002
5.499426e+001 2.487969e+002
5.595849e+001 2.462033e+002
5.692272e+001 2.442469e+002
5.788696e+001 2.424615e+002
5.885119e+001 2.399562e+002
5.981542e+001 2.311821e+002
6.077965e+001 2.186372e+002
6.174389e+001 2.089347e+002
6.270812e+001 2.055147e+002
6.367235e+001 2.098709e+002
6.463658e+001 2.100565e+002
6.560081e+001 2.049069e+002
6.656505e+001 1.991767e+002
6.752928e+001 1.969650e+002
6.849352e+001 2.002365e+002
6.945775e+001 2.007786e+002
7.042198e+001 1.972064e+002
7.138622e+001 1.906231e+002
7.235045e+001 1.830840e+002
7.331468e+001 1.756572e+002
7.427892e+001 1.703552e+002
7.524315e+001 1.676930e+002
7.620738e+001 1.676263e+002
7.717162e+001 1.695648e+002
7.813585e+001 1.721729e+002
7.910008e+001 1.755688e+002
8.006432e+001 1.800132e+002
8.102855e+001 1.859634e+002
8.199278e+001 1.949977e+002
8.295702e+001 2.135990e+002
8.392125e+001 2.391566e+002
8.488548e+001 2.712893e+002
8.584972e+001 3.099473e+002
8.681395e+001 3.535807e+002
8.777818e+001 4.094603e+002
8.874242e+001 4.746850e+002
8.970665e+001 5.517335e+002
9.067088e+001 6.482391e+002
9.163512e+001 7.640959e+002
9.259935e+001 9.056219e+002
9.356358e+001 1.076169e+003
9.452782e+001 1.278641e+003
9.549205e+001 1.515908e+003
9.645628e+001 1.810143e+003
9.742052e+001 2.125991e+003
9.838475e+001 2.449752e+003
9.934898e+001 2.769609e+003
1.003132e+002 3.057441e+003
1.012775e+002 3.214693e+003
1.022417e+002 3.259816e+003
1.032059e+002 3.187916e+003
1.041701e+002 2.986464e+003
1.051344e+002 2.509916e+003
1.060986e+002 2.081557e+003
1.070628e+002 1.695466e+003
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1.128482e+002 4.595132e+002
1.138125e+002 3.831613e+002
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1.157409e+002 2.847366e+002
1.167052e+002 2.501623e+002
1.176694e+002 2.212993e+002
1.186336e+002 2.005955e+002
1.195979e+002 1.918868e+002
1.205621e+002 1.927607e+002
1.215263e+002 1.965605e+002
1.224906e+002 1.936273e+002
1.234548e+002 1.784278e+002
1.244190e+002 1.688332e+002
1.253833e+002 1.664050e+002
1.263475e+002 1.699511e+002
1.273117e+002 1.750468e+002
1.282760e+002 1.810045e+002
1.292402e+002 1.878835e+002
1.302044e+002 1.968046e+002
1.311687e+002 2.075257e+002
1.321329e+002 2.164449e+002
1.330971e+002 2.196302e+002
1.340614e+002 2.212519e+002
1.350256e+002 2.235396e+002
1.359898e+002 2.281577e+002
1.369541e+002 2.353304e+002
1.379183e+002 2.440208e+002
1.388825e+002 2.527362e+002
1.398468e+002 2.591624e+002
1.408110e+002 2.606498e+002
1.417752e+002 2.544898e+002
1.427395e+002 2.515405e+002
1.437037e+002 2.539718e+002
1.446679e+002 2.600575e+002
1.456322e+002 2.654336e+002
1.465964e+002 2.680178e+002
1.475606e+002 2.707571e+002
1.485249e+002 2.737252e+002
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1.504533e+002 2.799108e+002
1.514176e+002 2.831601e+002
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1.533460e+002 2.947245e+002
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1.552745e+002 3.127864e+002
1.562387e+002 3.199430e+002
1.572030e+002 3.272375e+002
1.581672e+002 3.374671e+002
1.591314e+002 3.526764e+002
1.600957e+002 3.730536e+002
1.610599e+002 3.963614e+002
1.620241e+002 4.225059e+002
1.629884e+002 4.515081e+002
1.639526e+002 4.819518e+002
1.649168e+002 5.041680e+002
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1.668453e+002 6.004510e+002
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1.707022e+002 1.161337e+003
1.716665e+002 1.660916e+003
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2.169854e+002 7.940778e+002
2.179496e+002 9.852679e+002
2.189139e+002 1.226865e+003
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2.208423e+002 1.576940e+003
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2.227708e+002 1.438361e+003
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2.256635e+002 7.325870e+002
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2.999095e+002 1.012103e+003
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loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
_rod_maintainer_comment.date
_rod_maintainer_comment.text
1 elmendili 2019-03-18T16:50:14+0200
"the mineral name 'Zirconia' replaced by 'Zirconium oxide'"
