#------------------------------------------------------------------------------
#$Date: 2017-11-07 14:10:34 +0200 (Tue, 07 Nov 2017) $
#$Revision: 294 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500101.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_3500101
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial Nahcolite
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Alfa aesar 99.7% 14707'
_chemical_formula_structural     'Na H C O3'
_chemical_formula_sum            'C H Na O3'
_chemical_name_mineral           Nahcolite
_chemical_name_systematic        'Na H C O3'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.32
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.51(4)
_cell_length_b                   9.70(4)
_cell_length_c                   3.53(3)
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state Solid
_solsa_sample.id                 CN-AA00-0090
_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 3
_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 10
_raman_measurement.range_min     4.999353e+001
_raman_measurement.range_max     2.500110e+003
_rod_data_source.file            NaHCO3.rod
_rod_data_source.block           1000005
_rod_database.code               3500101
_raman_measurement.datetime_initiated 2017-10-19
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 1011016 COD http://www.crystallography.net/cod/1011016.html
;
 The structure contains the XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
4.999353e+001 6.942896e+001
5.095776e+001 7.202451e+001
5.192199e+001 7.289061e+001
5.288623e+001 7.269868e+001
5.385046e+001 7.231207e+001
5.481469e+001 7.316997e+001
5.577893e+001 7.496762e+001
5.674316e+001 7.713567e+001
5.770739e+001 7.957368e+001
5.867163e+001 8.225430e+001
5.963586e+001 8.466364e+001
6.060009e+001 8.721228e+001
6.156433e+001 8.925179e+001
6.252856e+001 9.023439e+001
6.349279e+001 8.948194e+001
6.445702e+001 8.889239e+001
6.542126e+001 8.783279e+001
6.638549e+001 8.730813e+001
6.734972e+001 8.831618e+001
6.831396e+001 9.197014e+001
6.927819e+001 9.716132e+001
7.024242e+001 1.037237e+002
7.120666e+001 1.111596e+002
7.217089e+001 1.188699e+002
7.313512e+001 1.257942e+002
7.409936e+001 1.322101e+002
7.506359e+001 1.381779e+002
7.602782e+001 1.437979e+002
7.699206e+001 1.493597e+002
7.795629e+001 1.553895e+002
7.892052e+001 1.606210e+002
7.988476e+001 1.699582e+002
8.084899e+001 1.867675e+002
8.181322e+001 2.098745e+002
8.277746e+001 2.476692e+002
8.374169e+001 2.901110e+002
8.470592e+001 3.462056e+002
8.567016e+001 4.304377e+002
8.663439e+001 5.678536e+002
8.759863e+001 7.205308e+002
8.856286e+001 9.129163e+002
8.952709e+001 1.125289e+003
9.049133e+001 1.297682e+003
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9.241979e+001 1.307089e+003
9.338403e+001 1.164991e+003
9.434826e+001 9.194680e+002
9.531249e+001 6.021088e+002
9.627673e+001 3.902553e+002
9.724096e+001 2.632013e+002
9.820519e+001 1.910836e+002
9.916943e+001 1.444615e+002
1.001337e+002 1.361136e+002
1.010979e+002 1.358740e+002
1.020621e+002 1.401367e+002
1.030264e+002 1.518178e+002
1.039906e+002 1.760490e+002
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1.155614e+002 1.337153e+003
1.165256e+002 1.011412e+003
1.174899e+002 7.432931e+002
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1.194183e+002 4.076594e+002
1.203826e+002 3.304584e+002
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1.232753e+002 2.715070e+002
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1.252037e+002 2.455496e+002
1.261680e+002 2.194471e+002
1.271322e+002 1.938248e+002
1.280964e+002 1.707458e+002
1.290607e+002 1.534415e+002
1.300249e+002 1.439900e+002
1.309891e+002 1.432697e+002
1.319534e+002 1.507615e+002
1.329176e+002 1.616301e+002
1.338818e+002 1.781061e+002
1.348461e+002 2.024417e+002
1.358103e+002 2.363249e+002
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1.377388e+002 3.735207e+002
1.387030e+002 5.115342e+002
1.396672e+002 6.827528e+002
1.406315e+002 8.730288e+002
1.415957e+002 1.150000e+003
1.425599e+002 1.345250e+003
1.435242e+002 1.460876e+003
1.444884e+002 1.493746e+003
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1.464169e+002 1.189711e+003
1.473811e+002 9.350742e+002
1.483453e+002 7.217687e+002
1.493096e+002 5.655830e+002
1.502738e+002 4.539119e+002
1.512380e+002 3.896626e+002
1.522023e+002 3.484180e+002
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1.560592e+002 2.114196e+002
1.570234e+002 1.913347e+002
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1.589519e+002 1.836249e+002
1.599161e+002 2.052987e+002
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1.618446e+002 2.649232e+002
1.628088e+002 2.999659e+002
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loop_
_rod_maintainer_comment.id
_rod_maintainer_comment.author
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_rod_maintainer_comment.text
1 elmendili 2017-11-02T16:04:40+0200 'Mineral name changed'