#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500094.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_3500094
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial Monosodium phosphate
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Sigma 99% 7558-80-7'
_chemical_formula_structural     'Na H2 (P O4)'
_chemical_formula_sum            'H2 Na O4 P'
_chemical_name_mineral           'Monosodium phosphate'
_chemical_name_systematic        'H2 Na O4 P'
_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                90.0
_cell_angle_beta                 92.827(11)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   6.8093(8)
_cell_length_b                   13.3936(10)
_cell_length_c                   7.2786(10)
_raman_determination_method      experimental
_[local]_chemical_compound_color white
_[local]_chemical_compound_state Solid
_solsa_sample.id                 CN-AA00-0083
_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            NaH2PO4.rod
_rod_data_source.block           1000005
_rod_database.code               3500094
_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 2105507 COD http://www.crystallography.net/cod/2105507.html
;
 The structure contains the XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
9.916943e+001 6.124483e+001
1.001337e+002 5.312186e+001
1.010979e+002 4.709219e+001
1.020621e+002 4.369520e+001
1.030264e+002 4.211904e+001
1.039906e+002 4.078172e+001
1.049548e+002 4.013312e+001
1.059191e+002 3.863379e+001
1.068833e+002 3.547663e+001
1.078475e+002 3.103529e+001
1.088118e+002 2.724970e+001
1.097760e+002 2.603152e+001
1.107402e+002 2.610258e+001
1.117045e+002 2.720144e+001
1.126687e+002 2.902850e+001
1.136329e+002 3.113734e+001
1.145972e+002 3.271266e+001
1.155614e+002 3.384085e+001
1.165256e+002 3.431839e+001
1.174899e+002 3.391946e+001
1.184541e+002 3.231605e+001
1.194183e+002 3.201623e+001
1.203826e+002 3.348747e+001
1.213468e+002 3.596544e+001
1.223110e+002 3.795525e+001
1.232753e+002 3.895525e+001
1.242395e+002 3.965943e+001
1.252037e+002 3.993143e+001
1.261680e+002 3.995209e+001
1.271322e+002 4.030384e+001
1.280964e+002 4.151411e+001
1.290607e+002 4.314751e+001
1.300249e+002 4.500380e+001
1.309891e+002 4.698788e+001
1.319534e+002 4.932011e+001
1.329176e+002 5.266223e+001
1.338818e+002 5.667317e+001
1.348461e+002 6.108097e+001
1.358103e+002 6.563037e+001
1.367745e+002 7.024937e+001
1.377388e+002 7.354469e+001
1.387030e+002 7.580323e+001
1.396672e+002 7.693821e+001
1.406315e+002 7.671842e+001
1.415957e+002 7.367406e+001
1.425599e+002 7.095723e+001
1.435242e+002 6.848220e+001
1.444884e+002 6.633586e+001
1.454526e+002 6.469067e+001
1.464169e+002 6.425941e+001
1.473811e+002 6.421765e+001
1.483453e+002 6.466685e+001
1.493096e+002 6.540138e+001
1.502738e+002 6.582448e+001
1.512380e+002 6.478316e+001
1.522023e+002 6.295309e+001
1.531665e+002 6.052812e+001
1.541307e+002 5.762480e+001
1.550950e+002 5.413417e+001
1.560592e+002 5.079483e+001
1.570234e+002 4.781429e+001
1.579877e+002 4.534591e+001
1.589519e+002 4.348051e+001
1.599161e+002 4.231556e+001
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1.618446e+002 4.212020e+001
1.628088e+002 4.257818e+001
1.637731e+002 4.288955e+001
1.647373e+002 4.302926e+001
1.657015e+002 4.343839e+001
1.666658e+002 4.403553e+001
1.676300e+002 4.490583e+001
1.685942e+002 4.623794e+001
1.695585e+002 4.881762e+001
1.705227e+002 5.167373e+001
1.714869e+002 5.408235e+001
1.724512e+002 5.583969e+001
1.734154e+002 5.700621e+001
1.743796e+002 5.783837e+001
1.753439e+002 5.836317e+001
1.763081e+002 5.840171e+001
1.772723e+002 5.781349e+001
1.782366e+002 5.649022e+001
1.792008e+002 5.521220e+001
1.801650e+002 5.353322e+001
1.811293e+002 5.216662e+001
1.820935e+002 5.177105e+001
1.830577e+002 5.303668e+001
1.840220e+002 5.406015e+001
1.849862e+002 5.378100e+001
1.859504e+002 5.310062e+001
1.869147e+002 5.297919e+001
1.878789e+002 5.446304e+001
1.888431e+002 5.637755e+001
1.898074e+002 5.780052e+001
1.907716e+002 5.884306e+001
1.917358e+002 5.969934e+001
1.927000e+002 6.059800e+001
1.936643e+002 6.107162e+001
1.946285e+002 6.082834e+001
1.955927e+002 6.004446e+001
1.965570e+002 5.870740e+001
1.975212e+002 5.572670e+001
1.984854e+002 4.958611e+001
1.994497e+002 4.380502e+001
2.004139e+002 3.876444e+001
2.013781e+002 3.437531e+001
2.023424e+002 3.096266e+001
2.033066e+002 2.969794e+001
2.042708e+002 2.857112e+001
2.052351e+002 2.644971e+001
2.061993e+002 2.281888e+001
2.071635e+002 1.956213e+001
2.081278e+002 1.865527e+001
2.090920e+002 1.884093e+001
2.100562e+002 1.916936e+001
2.110205e+002 1.885977e+001
2.119847e+002 1.820271e+001
2.129489e+002 1.874677e+001
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2.650175e+002 1.224283e+001
2.659818e+002 9.450436e+000
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2.688745e+002 5.838025e+000
2.698387e+002 5.135860e+000
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2.717672e+002 3.473840e+000
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2.756241e+002 -9.954834e-002
2.765883e+002 -6.538453e-001
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3.084081e+002 7.220093e-001
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