#------------------------------------------------------------------------------
#$Date: 2017-11-07 14:10:34 +0200 (Tue, 07 Nov 2017) $
#$Revision: 294 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500036.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_3500036
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial BaC4O4
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Aldrich 97%'
_chemical_formula_structural     'Ba (C4 O4)'
_chemical_formula_sum            'C4 Ba O4'
_chemical_name_mineral           BaC4O4
_chemical_name_systematic        BaC4O4
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3595
_cell_length_b                   6.3595
_cell_length_c                   12.4077
_cod_original_formula_sum        'Ba (C4 O4)'
_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.name   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     50.17309
_raman_measurement.range_max     2500.29
_rod_data_source.file            BaC4O4.rod
_rod_data_source.block           1000005
_rod_database.code               3500036
_solsa_sample.id                 CN-AA00-0025
_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 1536806 COD http://www.crystallography.net/cod/1536806.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.017309e+001 1.782796e+002
5.113732e+001 2.170602e+002
5.210155e+001 2.536339e+002
5.306579e+001 2.828374e+002
5.403002e+001 2.991623e+002
5.499426e+001 2.914158e+002
5.595849e+001 2.749409e+002
5.692272e+001 2.587155e+002
5.788696e+001 2.441178e+002
5.885119e+001 2.306114e+002
5.981542e+001 2.170817e+002
6.077965e+001 2.030349e+002
6.174389e+001 1.871484e+002
6.270812e+001 1.686545e+002
6.367235e+001 1.469144e+002
6.463658e+001 1.339875e+002
6.560081e+001 1.286416e+002
6.656505e+001 1.297327e+002
6.752928e+001 1.361170e+002
6.849352e+001 1.482937e+002
6.945775e+001 1.669105e+002
7.042198e+001 1.923325e+002
7.138622e+001 2.230280e+002
7.235045e+001 2.569978e+002
7.331468e+001 3.001398e+002
7.427892e+001 3.408191e+002
7.524315e+001 3.764552e+002
7.620738e+001 4.052858e+002
7.717162e+001 4.258034e+002
7.813585e+001 4.324254e+002
7.910008e+001 4.298182e+002
8.006432e+001 4.196201e+002
8.102855e+001 4.032465e+002
8.199278e+001 3.805327e+002
8.295702e+001 3.559263e+002
8.392125e+001 3.283277e+002
8.488548e+001 2.993470e+002
8.584972e+001 2.708287e+002
8.681395e+001 2.398232e+002
8.777818e+001 2.154502e+002
8.874242e+001 1.959561e+002
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9.163512e+001 1.966110e+002
9.259935e+001 2.191700e+002
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9.645628e+001 3.415226e+002
9.742052e+001 3.612049e+002
9.838475e+001 3.703683e+002
9.934898e+001 3.663116e+002
1.003132e+002 3.484785e+002
1.012775e+002 3.285872e+002
1.022417e+002 3.066641e+002
1.032059e+002 2.857805e+002
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1.167052e+002 2.683398e+002
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1.224906e+002 3.612577e+002
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1.244190e+002 3.943380e+002
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1.263475e+002 4.242609e+002
1.273117e+002 4.331943e+002
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1.292402e+002 4.272031e+002
1.302044e+002 4.197482e+002
1.311687e+002 4.096870e+002
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1.340614e+002 4.123240e+002
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1.359898e+002 4.356216e+002
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1.408110e+002 4.232746e+002
1.417752e+002 3.922147e+002
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1.437037e+002 3.440893e+002
1.446679e+002 3.274008e+002
1.456322e+002 3.179837e+002
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1.485249e+002 3.392158e+002
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