#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500100.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_3500100
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial Zincite
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Alfa aesar 99% 11558'
_chemical_formula_structural     'Zn O'
_chemical_formula_sum            'O Zn'
_chemical_name_mineral           Zincite
_chemical_name_systematic        'O Zn'
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   3.2342(2)
_cell_length_b                   3.2342(2)
_cell_length_c                   5.1772(3)
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state Solid
_solsa_sample.id                 CN-AA00-0089
_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 30
_raman_measurement.range_min     9.916943e+001
_raman_measurement.range_max     3.500020e+003
_rod_data_source.file            ZnO.rod
_rod_data_source.block           1000005
_rod_database.code               3500100
_raman_measurement.datetime_initiated 2017-10-17
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 2300113 COD http://www.crystallography.net/cod/2300113.html
;
 The structure contains the XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
9.916943e+001 7.810148e+002
1.001337e+002 4.806524e+002
1.010979e+002 2.579554e+002
1.020621e+002 1.260495e+002
1.030264e+002 6.149245e+001
1.039906e+002 1.893615e+001
1.049548e+002 1.357852e+001
1.059191e+002 1.138985e+001
1.068833e+002 8.612751e+000
1.078475e+002 4.210537e+000
1.088118e+002 1.175652e-001
1.097760e+002 -1.943676e+000
1.107402e+002 -2.959242e+000
1.117045e+002 -3.111141e+000
1.126687e+002 -2.613022e+000
1.136329e+002 -1.848772e+000
1.145972e+002 -1.681849e+000
1.155614e+002 -1.932646e+000
1.165256e+002 -2.439274e+000
1.174899e+002 -3.038801e+000
1.184541e+002 -3.722294e+000
1.194183e+002 -3.758377e+000
1.203826e+002 -2.731943e+000
1.213468e+002 -1.245922e+000
1.223110e+002 -5.033436e-001
1.232753e+002 -1.641531e+000
1.242395e+002 -2.543623e+000
1.252037e+002 -2.953941e+000
1.261680e+002 -2.858683e+000
1.271322e+002 -2.513025e+000
1.280964e+002 -1.616152e+000
1.290607e+002 -8.589592e-001
1.300249e+002 -5.942612e-001
1.309891e+002 -9.649677e-001
1.319534e+002 -1.775469e+000
1.329176e+002 -2.898857e+000
1.338818e+002 -3.961712e+000
1.348461e+002 -4.319181e+000
1.358103e+002 -3.430750e+000
1.367745e+002 -1.131084e+000
1.377388e+002 1.789036e-001
1.387030e+002 4.836502e-001
1.396672e+002 1.375637e-001
1.406315e+002 -4.020557e-001
1.415957e+002 -1.617777e+000
1.425599e+002 -2.350294e+000
1.435242e+002 -2.511597e+000
1.444884e+002 -2.509348e+000
1.454526e+002 -2.314844e+000
1.464169e+002 -1.748144e+000
1.473811e+002 -1.112341e+000
1.483453e+002 -4.225178e-001
1.493096e+002 2.559872e-001
1.502738e+002 7.869377e-001
1.512380e+002 7.555943e-001
1.522023e+002 5.394516e-001
1.531665e+002 4.452744e-001
1.541307e+002 6.172886e-001
1.550950e+002 9.103432e-001
1.560592e+002 4.571495e-001
1.570234e+002 -6.220150e-001
1.579877e+002 -1.510538e+000
1.589519e+002 -1.378403e+000
1.599161e+002 6.507416e-001
1.608804e+002 2.182379e+000
1.618446e+002 3.017277e+000
1.628088e+002 3.245676e+000
1.637731e+002 3.023378e+000
1.647373e+002 2.214462e+000
1.657015e+002 1.482754e+000
1.666658e+002 9.074211e-001
1.676300e+002 5.140896e-001
1.685942e+002 2.999344e-001
1.695585e+002 2.877979e-001
1.705227e+002 5.221004e-001
1.714869e+002 1.201939e+000
1.724512e+002 2.289768e+000
1.734154e+002 3.551458e+000
1.743796e+002 3.709345e+000
1.753439e+002 2.972166e+000
1.763081e+002 2.557066e+000
1.772723e+002 3.171091e+000
1.782366e+002 5.153265e+000
1.792008e+002 6.524101e+000
1.801650e+002 7.195614e+000
1.811293e+002 7.554831e+000
1.820935e+002 7.619139e+000
1.830577e+002 6.897480e+000
1.840220e+002 7.544674e+000
1.849862e+002 1.129322e+001
1.859504e+002 1.576027e+001
1.869147e+002 1.839205e+001
1.878789e+002 1.629177e+001
1.888431e+002 1.303128e+001
1.898074e+002 1.203423e+001
1.907716e+002 1.299982e+001
1.917358e+002 1.506060e+001
1.927000e+002 1.660438e+001
1.936643e+002 1.747574e+001
1.946285e+002 1.845311e+001
1.955927e+002 1.973237e+001
1.965570e+002 2.133866e+001
1.975212e+002 2.304700e+001
1.984854e+002 2.537450e+001
1.994497e+002 2.734607e+001
2.004139e+002 2.832104e+001
2.013781e+002 2.817932e+001
2.023424e+002 2.867199e+001
2.033066e+002 3.201591e+001
2.042708e+002 3.479707e+001
2.052351e+002 3.509861e+001
2.061993e+002 3.204246e+001
2.071635e+002 2.840789e+001
2.081278e+002 2.709106e+001
2.090920e+002 2.675606e+001
2.100562e+002 2.641521e+001
2.110205e+002 2.524894e+001
2.119847e+002 2.342597e+001
2.129489e+002 2.207152e+001
2.139132e+002 2.127368e+001
2.148774e+002 2.091383e+001
2.158416e+002 2.080071e+001
2.168059e+002 2.091128e+001
2.177701e+002 2.113772e+001
2.187343e+002 2.155365e+001
2.196986e+002 2.184362e+001
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2.216270e+002 2.007550e+001
2.225913e+002 1.874715e+001
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2.245197e+002 1.745686e+001
2.254840e+002 1.729826e+001
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2.351263e+002 1.571807e+001
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2.399475e+002 1.591870e+001
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2.524825e+002 1.197979e+001
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2.544110e+002 1.199531e+001
2.553752e+002 1.262018e+001
2.563394e+002 1.290024e+001
2.573037e+002 1.263818e+001
2.582679e+002 1.217999e+001
2.592321e+002 1.207145e+001
2.601964e+002 1.274115e+001
2.611606e+002 1.334160e+001
2.621248e+002 1.371508e+001
2.630891e+002 1.376574e+001
2.640533e+002 1.340874e+001
2.650175e+002 1.240151e+001
2.659818e+002 1.133368e+001
2.669460e+002 1.050986e+001
2.679102e+002 9.956480e+000
2.688745e+002 9.644716e+000
2.698387e+002 9.670134e+000
2.708029e+002 1.001245e+001
2.717672e+002 1.013721e+001
2.727314e+002 9.871161e+000
2.736956e+002 9.314579e+000
2.746599e+002 9.272364e+000
2.756241e+002 9.875530e+000
2.765883e+002 1.062585e+001
2.775526e+002 1.163390e+001
2.785168e+002 1.288934e+001
2.794810e+002 1.379375e+001
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2.978015e+002 1.361108e+001
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3.016584e+002 1.937451e+001
3.026227e+002 2.150768e+001
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3.296212e+002 1.183166e+002
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3.354066e+002 9.237137e+001
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3.392635e+002 5.684475e+001
3.402278e+002 4.944003e+001
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3.421562e+002 4.087739e+001
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