#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:00:55 +0300 (Thu, 24 May 2018) $ #$Revision: 868 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000352.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_1000352 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 other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _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 1000352 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 106.6573 0.0000000E+00 107.1394 5.519043 107.6215 4.765137 108.1036 2.092285 108.5858 4.319336 109.0679 2.468750 109.5500 24.42090 110.0321 49.48975 110.5142 70.98730 110.9963 84.55029 111.4785 99.15039 111.9606 116.4272 112.4427 136.1929 112.9248 154.0449 113.4069 168.4541 113.8890 181.1118 114.3712 193.5674 114.8533 208.6514 115.3354 221.0767 115.8175 227.9590 116.2996 228.8052 116.7817 230.1831 117.2639 235.8979 117.7460 243.1084 118.2281 248.1963 118.7102 248.3975 119.1923 247.0049 119.6744 245.6675 120.1566 244.3628 120.6387 243.3784 121.1208 242.4067 121.6029 241.6533 122.0850 241.7402 122.5671 241.6680 123.0493 242.8247 123.5314 247.2183 124.0135 256.1289 124.4956 265.2427 124.9777 269.9795 125.4598 271.0054 125.9420 271.2412 126.4241 272.3433 126.9062 273.8311 127.3883 275.0762 127.8704 276.3120 128.3525 276.6309 128.8347 273.3960 129.3168 266.7954 129.7989 261.3286 130.2810 260.8569 130.7631 264.6177 131.2452 269.5464 131.7274 276.0635 132.2095 282.7573 132.6916 285.0479 133.1737 282.4536 133.6558 278.8823 134.1379 278.3545 134.6201 280.8506 135.1022 282.5107 135.5843 281.2144 136.0664 277.7041 136.5485 279.0068 137.0306 286.4795 137.5128 295.5610 137.9949 299.7534 138.4770 297.6274 138.9591 297.5625 139.4412 303.0845 139.9233 314.7261 140.4055 323.7705 140.8876 329.4707 141.3697 333.0972 141.8518 336.8501 142.3339 341.1455 142.8160 344.4751 143.2982 345.8101 143.7803 343.8989 144.2624 344.3286 144.7445 348.2715 145.2266 354.2720 145.7087 359.2295 146.1909 363.5713 146.6730 366.5010 147.1551 367.4204 147.6372 363.7871 148.1193 362.8457 148.6014 366.4575 149.0836 373.1177 149.5657 377.2788 150.0478 376.9507 150.5299 375.8291 151.0120 375.4224 151.4941 375.1206 151.9763 376.1831 152.4584 379.1138 152.9405 383.5234 153.4226 387.5132 153.9047 390.8716 154.3868 393.7002 154.8690 396.0391 155.3511 396.8965 155.8332 398.2456 156.3153 401.1758 156.7974 405.3369 157.2795 407.9390 157.7617 407.4624 158.2438 405.7783 158.7259 404.2646 159.2080 401.6079 159.6901 400.8623 160.1722 404.0396 160.6544 410.9678 161.1365 417.2202 161.6186 420.4189 162.1007 422.5840 162.5828 425.4316 163.0649 430.2290 163.5471 435.1851 164.0292 439.6060 164.5113 441.4746 164.9934 442.7227 165.4755 442.4111 165.9576 441.5747 166.4398 441.6299 166.9219 443.9463 167.4040 446.5342 167.8861 447.6836 168.3682 447.1694 168.8503 447.5845 169.3325 451.8047 169.8146 457.9609 170.2967 463.0688 170.7788 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13.77539 1292.664 16.75977 1293.146 20.33691 1293.629 23.55615 1294.111 24.83057 1294.593 22.06934 1295.075 17.44238 1295.557 12.09570 1296.039 6.723633 1296.521 9.459961 1297.003 19.24854 1297.486 24.58740 1297.968 15.93408 1298.450 7.683105 1298.932 3.565918 1299.414 1.805176 1299.896 0.1704100 1300.378 0.3803710 1300.860 3.236816 1301.343 2.913574 1301.825 0.0000000E+00