#------------------------------------------------------------------------------
#$Date: 2019-03-18 16:52:12 +0200 (Mon, 18 Mar 2019) $
#$Revision: 1331 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500152.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_3500152
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 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     5.050586e+001
_raman_measurement.range_max     2.000186e+003
_rod_data_source.file            3500152.rod
_rod_data_source.block           3500152
_rod_database.code               3500152
_solsa_sample.id                 CN-AA00-0111
_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 2300544 COD http://www.crystallography.net/cod/2300544.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.050586e+001 2.866267e+002
5.147009e+001 2.767180e+002
5.243433e+001 2.651466e+002
5.339856e+001 2.539684e+002
5.436279e+001 2.445013e+002
5.532703e+001 2.366668e+002
5.629126e+001 2.295800e+002
5.725549e+001 2.243730e+002
5.821973e+001 2.193687e+002
5.918396e+001 2.121797e+002
6.014819e+001 2.017323e+002
6.111243e+001 1.893936e+002
6.207666e+001 1.770093e+002
6.304089e+001 1.645003e+002
6.400513e+001 1.527916e+002
6.496936e+001 1.424913e+002
6.593359e+001 1.335602e+002
6.689783e+001 1.244399e+002
6.786206e+001 1.135018e+002
6.882629e+001 1.007692e+002
6.979053e+001 8.900208e+001
7.075476e+001 7.989307e+001
7.171899e+001 7.250256e+001
7.268323e+001 6.498804e+001
7.364746e+001 5.543158e+001
7.461169e+001 4.558618e+001
7.557593e+001 3.833917e+001
7.654016e+001 3.418213e+001
7.750439e+001 3.121295e+001
7.846863e+001 2.856824e+001
7.943286e+001 2.651935e+001
8.039709e+001 2.448108e+001
8.136133e+001 2.110089e+001
8.232556e+001 1.675769e+001
8.328979e+001 1.466693e+001
8.425403e+001 1.637341e+001
8.521826e+001 2.123358e+001
8.618250e+001 2.754425e+001
8.714673e+001 3.460175e+001
8.811096e+001 4.337708e+001
8.907520e+001 5.449548e+001
9.003943e+001 6.753772e+001
9.100366e+001 8.401556e+001
9.196790e+001 1.050590e+002
9.293213e+001 1.296359e+002
9.389636e+001 1.592404e+002
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9.582483e+001 2.350699e+002
9.678906e+001 2.821495e+002
9.775330e+001 3.384370e+002
9.871753e+001 4.007091e+002
9.968176e+001 4.598911e+002
1.006460e+002 5.283733e+002
1.016102e+002 5.860542e+002
1.025745e+002 6.180259e+002
1.035387e+002 6.240735e+002
1.045029e+002 6.084550e+002
1.054672e+002 5.648658e+002
1.064314e+002 4.927161e+002
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1.151095e+002 2.119933e+002
1.160737e+002 2.035914e+002
1.170380e+002 1.950432e+002
1.180022e+002 1.870941e+002
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1.199307e+002 1.752309e+002
1.208949e+002 1.684836e+002
1.218591e+002 1.598092e+002
1.228234e+002 1.498267e+002
1.237876e+002 1.390754e+002
1.247518e+002 1.277880e+002
1.257161e+002 1.162098e+002
1.266803e+002 1.044630e+002
1.276445e+002 9.062347e+001
1.286088e+002 7.826587e+001
1.295730e+002 6.880017e+001
1.305372e+002 6.140637e+001
1.315015e+002 5.446790e+001
1.324657e+002 4.692249e+001
1.334299e+002 3.870477e+001
1.343942e+002 3.184393e+001
1.353584e+002 2.653888e+001
1.363226e+002 2.196844e+001
1.372869e+002 1.775171e+001
1.382511e+002 1.376611e+001
1.392153e+002 1.004761e+001
1.401796e+002 6.759277e+000
1.411438e+002 3.830505e+000
1.421080e+002 1.965271e+000
1.430723e+002 8.218384e-001
1.440365e+002 1.120605e+000
1.450007e+002 3.584961e+000
1.459650e+002 8.674438e+000
1.469292e+002 1.605579e+001
1.478934e+002 2.367987e+001
1.488577e+002 3.042010e+001
1.498219e+002 3.957239e+001
1.507861e+002 5.024799e+001
1.517504e+002 6.209656e+001
1.527146e+002 7.440100e+001
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1.556073e+002 1.108587e+002
1.565715e+002 1.244594e+002
1.575358e+002 1.397730e+002
1.585000e+002 1.576102e+002
1.594642e+002 1.782212e+002
1.604285e+002 2.010932e+002
1.613927e+002 2.251960e+002
1.623569e+002 2.502081e+002
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1.642854e+002 3.057798e+002
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1.710350e+002 6.376556e+002
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1.758562e+002 1.580836e+003
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2.096044e+002 5.196795e+002
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2.192467e+002 4.302009e+002
2.202110e+002 4.422895e+002
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2.221394e+002 4.341721e+002
2.231037e+002 4.026133e+002
2.240679e+002 3.603356e+002
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2.809576e+002 5.044312e+000
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2.828861e+002 -6.999512e-001
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2.848146e+002 -2.899353e+000
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loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
_rod_maintainer_comment.date
_rod_maintainer_comment.text
1 elmendili 2019-03-18T16:52:10+0200
"the mineral name 'Zirconia' replaced by 'Zirconium oxide'"
