#------------------------------------------------------------------------------
#$Date: 2018-07-20 14:21:17 +0300 (Fri, 20 Jul 2018) $
#$Revision: 1268 $
#$URL: svn://172.16.1.111/rod/cif/3/50/01/3500126.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_3500126
loop_
_publ_author_name
'El Mendili, Y'
_journal_name_full               'Personal communication to ROD'
_journal_year                    2017
_chemical_compound_source        'commercial powder Alfa Aesar 99.9%'
_chemical_formula_structural     'Al3 H6 K O14 S2'
_chemical_formula_sum            'Al3 H6 K O14 S2'
_chemical_name_mineral           Alunite
_chemical_name_systematic        'potassium trialuminium hexahydro disulfate'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.020
_cell_length_b                   7.020
_cell_length_c                   17.223
_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 9
_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 1200
_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 60
_raman_measurement.range_min     5.050586e+001
_raman_measurement.range_max     2.000186e+003
_rod_data_source.file            Alunite.rod
_rod_data_source.block           1000005
_rod_database.code               3500126
_solsa_sample.id                 CN-AA00-0101
_raman_measurement.datetime_initiated 2017-10-10
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 9009284 COD http://www.crystallography.net/cod/9009284.html
;
no XRD analysis data.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
5.050586e+001 1.718004e+002
5.147009e+001 1.670192e+002
5.243433e+001 1.623980e+002
5.339856e+001 1.581819e+002
5.436279e+001 1.545963e+002
5.532703e+001 1.516165e+002
5.629126e+001 1.490054e+002
5.725549e+001 1.471039e+002
5.821973e+001 1.454372e+002
5.918396e+001 1.433175e+002
6.014819e+001 1.405209e+002
6.111243e+001 1.373321e+002
6.207666e+001 1.340546e+002
6.304089e+001 1.305150e+002
6.400513e+001 1.274115e+002
6.496936e+001 1.251492e+002
6.593359e+001 1.236656e+002
6.689783e+001 1.227162e+002
6.786206e+001 1.222262e+002
6.882629e+001 1.221516e+002
6.979053e+001 1.222816e+002
7.075476e+001 1.225398e+002
7.171899e+001 1.230496e+002
7.268323e+001 1.238947e+002
7.364746e+001 1.254007e+002
7.461169e+001 1.270527e+002
7.557593e+001 1.281544e+002
7.654016e+001 1.286501e+002
7.750439e+001 1.284694e+002
7.846863e+001 1.276665e+002
7.943286e+001 1.263564e+002
8.039709e+001 1.248148e+002
8.136133e+001 1.232337e+002
8.232556e+001 1.215634e+002
8.328979e+001 1.194735e+002
8.425403e+001 1.164707e+002
8.521826e+001 1.130949e+002
8.618250e+001 1.102999e+002
8.714673e+001 1.082440e+002
8.811096e+001 1.068114e+002
8.907520e+001 1.060908e+002
9.003943e+001 1.062895e+002
9.100366e+001 1.064412e+002
9.196790e+001 1.054793e+002
9.293213e+001 1.034059e+002
9.389636e+001 1.013459e+002
9.486060e+001 9.975276e+001
9.582483e+001 9.858473e+001
9.678906e+001 9.763582e+001
9.775330e+001 9.688592e+001
9.871753e+001 9.636691e+001
9.968176e+001 9.601257e+001
1.006460e+002 9.608952e+001
1.016102e+002 9.619368e+001
1.025745e+002 9.600204e+001
1.035387e+002 9.551599e+001
1.045029e+002 9.491789e+001
1.054672e+002 9.423076e+001
1.064314e+002 9.338823e+001
1.073956e+002 9.264767e+001
1.083599e+002 9.217815e+001
1.093241e+002 9.189272e+001
1.102883e+002 9.159525e+001
1.112526e+002 9.120551e+001
1.122168e+002 9.085601e+001
1.131810e+002 9.079695e+001
1.141453e+002 9.135216e+001
1.151095e+002 9.184445e+001
1.160737e+002 9.194847e+001
1.170380e+002 9.171062e+001
1.180022e+002 9.136259e+001
1.189664e+002 9.109801e+001
1.199307e+002 9.090596e+001
1.208949e+002 9.026775e+001
1.218591e+002 8.866187e+001
1.228234e+002 8.684361e+001
1.237876e+002 8.556883e+001
1.247518e+002 8.506452e+001
1.257161e+002 8.506342e+001
1.266803e+002 8.501420e+001
1.276445e+002 8.475338e+001
1.286088e+002 8.454559e+001
1.295730e+002 8.447835e+001
1.305372e+002 8.451661e+001
1.315015e+002 8.455137e+001
1.324657e+002 8.447014e+001
1.334299e+002 8.424873e+001
1.343942e+002 8.457378e+001
1.353584e+002 8.588359e+001
1.363226e+002 8.724937e+001
1.372869e+002 8.822353e+001
1.382511e+002 8.873325e+001
1.392153e+002 8.895155e+001
1.401796e+002 8.911540e+001
1.411438e+002 8.913135e+001
1.421080e+002 8.930930e+001
1.430723e+002 8.966008e+001
1.440365e+002 9.022063e+001
1.450007e+002 9.107719e+001
1.459650e+002 9.231477e+001
1.469292e+002 9.380934e+001
1.478934e+002 9.485896e+001
1.488577e+002 9.493088e+001
1.498219e+002 9.492882e+001
1.507861e+002 9.509563e+001
1.517504e+002 9.533900e+001
1.527146e+002 9.542244e+001
1.536788e+002 9.507201e+001
1.546431e+002 9.416658e+001
1.556073e+002 9.343417e+001
1.565715e+002 9.327461e+001
1.575358e+002 9.303883e+001
1.585000e+002 9.231165e+001
1.594642e+002 9.095464e+001
1.604285e+002 8.931459e+001
1.613927e+002 8.791460e+001
1.623569e+002 8.680472e+001
1.633212e+002 8.577267e+001
1.642854e+002 8.475441e+001
1.652496e+002 8.376396e+001
1.662139e+002 8.282421e+001
1.671781e+002 8.187741e+001
1.681423e+002 8.097496e+001
1.691066e+002 8.029399e+001
1.700708e+002 7.988679e+001
1.710350e+002 7.965585e+001
1.719993e+002 7.952068e+001
1.729635e+002 7.948183e+001
1.739277e+002 7.950455e+001
1.748920e+002 7.956927e+001
1.758562e+002 7.969286e+001
1.768204e+002 7.987673e+001
1.777847e+002 7.995621e+001
1.787489e+002 8.018407e+001
1.797132e+002 8.102036e+001
1.806774e+002 8.314372e+001
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1.826059e+002 8.690713e+001
1.835701e+002 8.776740e+001
1.845343e+002 8.843420e+001
1.854986e+002 8.925339e+001
1.864628e+002 9.027934e+001
1.874270e+002 9.103178e+001
1.883913e+002 9.168537e+001
1.893555e+002 9.200031e+001
1.903197e+002 9.170625e+001
1.912840e+002 9.075140e+001
1.922482e+002 8.934945e+001
1.932124e+002 8.783326e+001
1.941767e+002 8.609340e+001
1.951409e+002 8.424168e+001
1.961051e+002 8.240936e+001
1.970694e+002 8.040724e+001
1.980336e+002 7.795981e+001
1.989978e+002 7.488061e+001
1.999621e+002 7.129515e+001
2.009263e+002 6.816615e+001
2.018905e+002 6.604691e+001
2.028548e+002 6.386304e+001
2.038190e+002 6.120297e+001
2.047832e+002 5.825463e+001
2.057475e+002 5.556126e+001
2.067117e+002 5.368911e+001
2.076759e+002 5.274445e+001
2.086402e+002 5.168818e+001
2.096044e+002 5.021186e+001
2.105686e+002 4.874168e+001
2.115329e+002 4.757966e+001
2.124971e+002 4.681694e+001
2.134613e+002 4.616880e+001
2.144256e+002 4.527847e+001
2.153898e+002 4.409453e+001
2.163540e+002 4.302308e+001
2.173183e+002 4.232110e+001
2.182825e+002 4.185378e+001
2.192467e+002 4.138258e+001
2.202110e+002 4.085906e+001
2.211752e+002 4.035383e+001
2.221394e+002 3.983405e+001
2.231037e+002 3.924955e+001
2.240679e+002 3.889711e+001
2.250321e+002 3.926855e+001
2.259964e+002 4.061216e+001
2.269606e+002 4.115428e+001
2.279248e+002 3.997314e+001
2.288891e+002 3.817237e+001
2.298533e+002 3.697799e+001
2.308175e+002 3.671012e+001
2.317818e+002 3.688179e+001
2.327460e+002 3.662722e+001
2.337102e+002 3.540458e+001
2.346745e+002 3.448763e+001
2.356387e+002 3.412235e+001
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2.375672e+002 3.392960e+001
2.385314e+002 3.358865e+001
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2.404599e+002 3.245634e+001
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2.423883e+002 3.100449e+001
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2.472095e+002 2.805378e+001
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2.491380e+002 2.630940e+001
2.501022e+002 2.557190e+001
2.510664e+002 2.484392e+001
2.520307e+002 2.409674e+001
2.529949e+002 2.344334e+001
2.539591e+002 2.304973e+001
2.549234e+002 2.286096e+001
2.558876e+002 2.255030e+001
2.568518e+002 2.193268e+001
2.578160e+002 2.111656e+001
2.587803e+002 2.050479e+001
2.597445e+002 2.018851e+001
2.607087e+002 1.996868e+001
2.616730e+002 1.983716e+001
2.626372e+002 1.976840e+001
2.636014e+002 1.965030e+001
2.645657e+002 1.938687e+001
2.655299e+002 1.893860e+001
2.664941e+002 1.843625e+001
2.674584e+002 1.779502e+001
2.684226e+002 1.725608e+001
2.693868e+002 1.701758e+001
2.703511e+002 1.705557e+001
2.713153e+002 1.711409e+001
2.722795e+002 1.679784e+001
2.732438e+002 1.588905e+001
2.742080e+002 1.531990e+001
2.751722e+002 1.557056e+001
2.761365e+002 1.599128e+001
2.771007e+002 1.618774e+001
2.780649e+002 1.608101e+001
2.790292e+002 1.581668e+001
2.799934e+002 1.546282e+001
2.809576e+002 1.501432e+001
2.819219e+002 1.470816e+001
2.828861e+002 1.464908e+001
2.838503e+002 1.478343e+001
2.848146e+002 1.494133e+001
2.857788e+002 1.524380e+001
2.867430e+002 1.548236e+001
2.877073e+002 1.545602e+001
2.886715e+002 1.517235e+001
2.896357e+002 1.480201e+001
2.906000e+002 1.445266e+001
2.915642e+002 1.404967e+001
2.925284e+002 1.397612e+001
2.934927e+002 1.450199e+001
2.944569e+002 1.513919e+001
2.954211e+002 1.561928e+001
2.963854e+002 1.589194e+001
2.973496e+002 1.603539e+001
2.983138e+002 1.613346e+001
2.992781e+002 1.616929e+001
3.002423e+002 1.624549e+001
3.012065e+002 1.634914e+001
3.021708e+002 1.650934e+001
3.031350e+002 1.674802e+001
3.040992e+002 1.707309e+001
3.050635e+002 1.745248e+001
3.060277e+002 1.786924e+001
3.069920e+002 1.833803e+001
3.079562e+002 1.887373e+001
3.089204e+002 1.956557e+001
3.098847e+002 2.031649e+001
3.108489e+002 2.074357e+001
3.118131e+002 2.055612e+001
3.127774e+002 2.025792e+001
3.137416e+002 2.014877e+001
3.147058e+002 2.024874e+001
3.156701e+002 2.048256e+001
3.166343e+002 2.079853e+001
3.175985e+002 2.122319e+001
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3.204912e+002 2.170630e+001
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3.224197e+002 2.095686e+001
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3.253124e+002 2.118135e+001
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3.436328e+002 1.382136e+001
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3.561679e+002 9.966730e+000
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4.053438e+002 9.857752e+000
4.063080e+002 1.034493e+001
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4.082365e+002 9.667071e+000
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4.101649e+002 1.006819e+001
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