#------------------------------------------------------------------------------ #$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $ #$Revision: 361 $ #$URL: svn://172.16.1.111/rod/cif/3/50/01/3500158.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_3500158 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.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 30 _raman_measurement.range_min 5.050586e+001 _raman_measurement.range_max 2.000186e+003 _rod_data_source.file BaC4O4.rod _rod_data_source.block 1000005 _solsa_sample.id CN-AA00-0099 _raman_measurement.datetime_initiated 2017-10-10 _rod_database.code 3500158 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 5.050586e+001 1.776317e+002 5.147009e+001 1.889157e+002 5.243433e+001 1.950013e+002 5.339856e+001 1.963021e+002 5.436279e+001 1.909417e+002 5.532703e+001 1.793667e+002 5.629126e+001 1.684366e+002 5.725549e+001 1.619064e+002 5.821973e+001 1.574544e+002 5.918396e+001 1.514599e+002 6.014819e+001 1.416780e+002 6.111243e+001 1.304558e+002 6.207666e+001 1.210513e+002 6.304089e+001 1.130027e+002 6.400513e+001 1.080268e+002 6.496936e+001 1.070204e+002 6.593359e+001 1.097083e+002 6.689783e+001 1.156403e+002 6.786206e+001 1.245727e+002 6.882629e+001 1.365201e+002 6.979053e+001 1.515756e+002 7.075476e+001 1.722697e+002 7.171899e+001 1.957967e+002 7.268323e+001 2.175511e+002 7.364746e+001 2.388393e+002 7.461169e+001 2.572197e+002 7.557593e+001 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