#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500113.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_3500113
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 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            Monetite.rod
_rod_data_source.block           1000005
_rod_database.code               3500113
_solsa_sample.id                 CN-AA00-0122
_raman_measurement.datetime_initiated 2017-10-11
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
5.050586e+001 4.697884e+001
5.147009e+001 4.060390e+001
5.243433e+001 3.464550e+001
5.339856e+001 2.939605e+001
5.436279e+001 2.503567e+001
5.532703e+001 2.154954e+001
5.629126e+001 1.891876e+001
5.725549e+001 1.774977e+001
5.821973e+001 1.733195e+001
5.918396e+001 1.656609e+001
6.014819e+001 1.506010e+001
6.111243e+001 1.318095e+001
6.207666e+001 1.142631e+001
6.304089e+001 9.726175e+000
6.400513e+001 8.380796e+000
6.496936e+001 7.653814e+000
6.593359e+001 7.537218e+000
6.689783e+001 7.516014e+000
6.786206e+001 7.217831e+000
6.882629e+001 6.653378e+000
6.979053e+001 6.224037e+000
7.075476e+001 6.175041e+000
7.171899e+001 6.366518e+000
7.268323e+001 6.535479e+000
7.364746e+001 6.698671e+000
7.461169e+001 6.748831e+000
7.557593e+001 6.450968e+000
7.654016e+001 5.618568e+000
7.750439e+001 4.766615e+000
7.846863e+001 4.374613e+000
7.943286e+001 4.440723e+000
8.039709e+001 4.767162e+000
8.136133e+001 5.459578e+000
8.232556e+001 6.439178e+000
8.328979e+001 7.094181e+000
8.425403e+001 6.952274e+000
8.521826e+001 6.424500e+000
8.618250e+001 6.249195e+000
8.714673e+001 6.562117e+000
8.811096e+001 7.252478e+000
8.907520e+001 8.322880e+000
9.003943e+001 9.894253e+000
9.100366e+001 1.141665e+001
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9.678906e+001 1.135196e+001
9.775330e+001 1.119557e+001
9.871753e+001 1.126027e+001
9.968176e+001 1.108627e+001
1.006460e+002 1.044704e+001
1.016102e+002 9.732658e+000
1.025745e+002 9.245842e+000
1.035387e+002 9.002953e+000
1.045029e+002 8.895849e+000
1.054672e+002 8.913904e+000
1.064314e+002 9.047228e+000
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1.160737e+002 6.588428e+000
1.170380e+002 6.738167e+000
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1.199307e+002 8.474869e+000
1.208949e+002 9.328732e+000
1.218591e+002 1.017084e+001
1.228234e+002 1.090905e+001
1.237876e+002 1.143777e+001
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1.257161e+002 1.188522e+001
1.266803e+002 1.204789e+001
1.276445e+002 1.220261e+001
1.286088e+002 1.234435e+001
1.295730e+002 1.252479e+001
1.305372e+002 1.270413e+001
1.315015e+002 1.278189e+001
1.324657e+002 1.266703e+001
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1.392153e+002 1.475742e+001
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1.411438e+002 1.505328e+001
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1.430723e+002 1.435564e+001
1.440365e+002 1.382227e+001
1.450007e+002 1.323523e+001
1.459650e+002 1.259415e+001
1.469292e+002 1.195136e+001
1.478934e+002 1.154432e+001
1.488577e+002 1.157420e+001
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1.507861e+002 1.172852e+001
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1.556073e+002 9.690588e+000
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