#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:03:32 +0300 (Thu, 26 Apr 2018) $ #$Revision: 639 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000173.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_1000173 loop_ _publ_author_name 'Zoppi, M.' 'Pratesi, G.' _publ_section_title ; The dual behavior of the beta-As4S4 altered by light ; _journal_name_full 'American Mineralogist' _journal_page_first 890 _journal_page_last 896 _journal_paper_doi 10.2138/am.2012.3968 _journal_volume 97 _journal_year 2012 _chemical_compound_source Synthetic _chemical_formula_sum 'As8 S9' _chemical_name_mineral Alacranite _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2yc' _symmetry_space_group_name_H-M 'P 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 102.397 _cell_angle_gamma 90 _cell_length_a 9.9342 _cell_length_b 9.5566 _cell_length_c 9.1104 _cell_volume 844.749 _exptl_crystal_density_diffrn 3.491 _cod_database_code 9016439 _raman_determination_method experimental _raman_measurement_device.location 'Arizona University' _raman_measurement_device.company 'Thermo Scientific' _raman_measurement_device.model 'Nicolet Almega XR' _raman_measurement_device.optics_type microscope _raman_measurement_device.microscope_system dispersive _raman_measurement_device.microscope_objective_magnification 50 _raman_measurement_device.microscope_numerical_aperture 0.5 _raman_measurement_device.excitation_laser_type helium-neon _raman_measurement_device.excitation_laser_wavelength 780 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 12 _raman_measurement_device.direction_polarization unoriented _raman_measurement_device.spot_size 1 _raman_measurement_device.diffraction_grating 400 _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 _rod_data_source.file R150030.rod _rod_data_source.block 3500000 _rod_database.code 1000173 loop_ _raman_complementary.id _raman_complementary.method 1 XRD 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 9016439 COD http://www.crystallography.net/cod/9016439.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 107.4698 0.0000000E+00 107.9519 2.080078 108.4340 6.113281 108.9161 5.429688 109.3982 1.085938 109.8804 4.470703 110.3625 8.7890998E-02 110.8446 13.76172 111.3267 21.66602 111.8088 16.14844 112.2909 10.61719 112.7731 12.63672 113.2552 22.26562 113.7373 33.16211 114.2194 35.76562 114.7015 20.59180 115.1836 13.79688 115.6658 21.21484 116.1479 33.73047 116.6300 42.72656 117.1121 45.09570 117.5942 42.98438 118.0763 41.19141 118.5584 40.99414 119.0406 38.53711 119.5227 29.70508 120.0048 17.13672 120.4869 8.275391 120.9690 7.173828 121.4511 11.38281 121.9333 14.53906 122.4154 15.11523 122.8975 16.75781 123.3796 24.02148 123.8617 37.71680 124.3438 49.17578 124.8260 50.59766 125.3081 48.59375 125.7902 48.72461 126.2723 52.67773 126.7544 59.92969 127.2365 69.90820 127.7187 85.44727 128.2008 98.97266 128.6829 103.1934 129.1650 105.4395 129.6471 116.1445 130.1292 143.1191 130.6114 185.0449 131.0935 221.7598 131.5756 251.9863 132.0577 278.3477 132.5398 299.4473 133.0219 316.8691 133.5041 334.0117 133.9862 354.4297 134.4683 379.7324 134.9504 396.7637 135.4325 404.8496 135.9146 407.1660 136.3968 402.5371 136.8789 391.9180 137.3610 381.1914 137.8431 377.3789 138.3252 381.9746 138.8073 386.7148 139.2895 393.9395 139.7716 399.9492 140.2537 397.1621 140.7358 381.3145 141.2179 366.8887 141.7000 376.6582 142.1821 408.1562 142.6643 439.3027 143.1464 463.7832 143.6285 481.3379 144.1106 490.6367 144.5927 488.5996 145.0748 480.4551 145.5570 471.6172 146.0391 462.1816 146.5212 451.0996 147.0033 436.6484 147.4854 418.3672 147.9675 401.0820 148.4497 382.4141 148.9318 367.1191 149.4139 359.8711 149.8960 361.2969 150.3781 365.6699 150.8602 364.0625 151.3424 352.6016 151.8245 343.4668 152.3066 336.4590 152.7887 332.4902 153.2708 334.6211 153.7529 343.6016 154.2351 354.4062 154.7172 354.2930 155.1993 329.8477 155.6814 309.8008 156.1635 298.3711 156.6456 291.0977 157.1278 282.7852 157.6099 270.7891 158.0920 255.9902 158.5741 242.2676 159.0562 225.6055 159.5383 213.8828 160.0205 208.1211 160.5026 208.6562 160.9847 217.1797 161.4668 236.2832 161.9489 263.4531 162.4310 286.1094 162.9131 298.7734 163.3953 312.4355 163.8774 333.6465 164.3595 361.9570 164.8416 392.9492 165.3237 424.8555 165.8058 456.8945 166.2880 482.7969 166.7701 499.9004 167.2522 512.2441 167.7343 524.5508 168.2164 537.4961 168.6985 547.8652 169.1807 550.5391 169.6628 550.1992 170.1449 552.7246 170.6270 561.4121 171.1091 573.6172 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