#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/00/3500043.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_3500043
loop_
_publ_author_name
'El Mendili, Y'
_publ_section_title
;
 Raman spectrum of commercial CaHPO4
;
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial Aldrich pur'
_chemical_formula_structural     'Ca H O4 P'
_chemical_formula_sum            'Ca H O4 P'
_chemical_name_mineral           Monetite
_chemical_name_systematic        Monetite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.18
_cell_angle_beta                 103.82
_cell_angle_gamma                88.34
_cell_formula_units_Z            4
_cell_length_a                   6.916
_cell_length_b                   6.619
_cell_length_c                   6.946
_cell_volume                     306.966
_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 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     2500.290
_rod_data_source.file            Monetite.rod
_rod_data_source.block           1000005
_rod_database.code               3500043
_solsa_sample.id                 CN-AA00-0032
_raman_measurement.datetime_initiated 2017-09-20
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 2106084 COD http://www.crystallography.net/cod/2106084.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.017309e+001 4.019435e+002
5.113732e+001 3.979541e+002
5.210155e+001 3.929557e+002
5.306579e+001 3.874815e+002
5.403002e+001 3.819878e+002
5.499426e+001 3.767600e+002
5.595849e+001 3.724225e+002
5.692272e+001 3.695055e+002
5.788696e+001 3.678980e+002
5.885119e+001 3.672126e+002
5.981542e+001 3.670017e+002
6.077965e+001 3.663380e+002
6.174389e+001 3.634348e+002
6.270812e+001 3.573729e+002
6.367235e+001 3.477562e+002
6.463658e+001 3.409919e+002
6.560081e+001 3.374800e+002
6.656505e+001 3.357643e+002
6.752928e+001 3.344958e+002
6.849352e+001 3.331530e+002
6.945775e+001 3.320294e+002
7.042198e+001 3.312083e+002
7.138622e+001 3.305445e+002
7.235045e+001 3.298570e+002
7.331468e+001 3.300714e+002
7.427892e+001 3.301215e+002
7.524315e+001 3.295312e+002
7.620738e+001 3.281201e+002
7.717162e+001 3.259323e+002
7.813585e+001 3.219785e+002
7.910008e+001 3.175040e+002
8.006432e+001 3.139946e+002
8.102855e+001 3.126029e+002
8.199278e+001 3.139551e+002
8.295702e+001 3.163167e+002
8.392125e+001 3.195163e+002
8.488548e+001 3.225083e+002
8.584972e+001 3.239372e+002
8.681395e+001 3.216827e+002
8.777818e+001 3.206503e+002
8.874242e+001 3.217220e+002
8.970665e+001 3.245070e+002
9.067088e+001 3.275166e+002
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9.742052e+001 3.321550e+002
9.838475e+001 3.307867e+002
9.934898e+001 3.281588e+002
1.003132e+002 3.241298e+002
1.012775e+002 3.201288e+002
1.022417e+002 3.163271e+002
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1.273117e+002 3.057625e+002
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1.292402e+002 3.108338e+002
1.302044e+002 3.106401e+002
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1.437037e+002 3.049226e+002
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1.475606e+002 2.932730e+002
1.485249e+002 2.927281e+002
1.494891e+002 2.929772e+002
1.504533e+002 2.927015e+002
1.514176e+002 2.909214e+002
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1.620241e+002 2.724119e+002
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2.189139e+002 2.181008e+002
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2.208423e+002 2.169675e+002
2.218066e+002 2.159972e+002
2.227708e+002 2.146844e+002
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