#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:02:49 +0300 (Thu, 26 Apr 2018) $ #$Revision: 628 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000164.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_1000164 loop_ _publ_author_name 'Seitz, A.' 'Rosler, U.' 'Schubert, K.' _publ_section_title ; Kristallstruktur von beta-Be(OH)2 ; _journal_name_full 'Zeitschrift fur Anorganische und Allgemeine Chemie' _journal_page_first 94 _journal_page_last 105 _journal_volume 261 _journal_year 1950 _chemical_compound_source R130229 _chemical_formula_sum 'Be H2 O2' _chemical_name_mineral Behoite _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.620 _cell_length_b 7.039 _cell_length_c 4.535 _cell_volume 147.479 _cod_original_formula_sum 'Be (O2 H2)' _cod_database_code 9012320 _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 R130229.rod _rod_data_source.block 3500000 _rod_database.code 1000164 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 9012320 COD http://www.crystallography.net/cod/9012320.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 94.45264 0.0000000E+00 94.93475 28.48340 95.41687 45.50879 95.89898 56.84375 96.38110 65.85645 96.86321 82.45410 97.34533 91.53320 97.82745 69.62207 98.30956 53.43652 98.79168 48.81836 99.27380 50.59863 99.75591 47.24121 100.2380 44.38086 100.7201 39.76953 101.2023 30.72656 101.6844 19.07715 102.1665 9.684570 102.6486 1.271484 103.1307 4.192383 103.6128 5.798828 104.0950 3.822266 104.5771 0.8896480 105.0592 5.336914 105.5413 9.355469 106.0234 13.54980 106.5055 17.33887 106.9877 20.86523 107.4698 25.79492 107.9519 31.86523 108.4340 38.08008 108.9161 44.69824 109.3982 50.90820 109.8804 55.00586 110.3625 54.36133 110.8446 46.91797 111.3267 44.71289 111.8088 50.60547 112.2909 58.64551 112.7731 66.78613 113.2552 74.33789 113.7373 81.27441 114.2194 87.40723 114.7015 90.77051 115.1836 97.11621 115.6658 110.4912 116.1479 124.8672 116.6300 134.0186 117.1121 135.6211 117.5942 132.3818 118.0763 130.0205 118.5584 127.4434 119.0406 127.9961 119.5227 135.0986 120.0048 148.5195 120.4869 157.8271 120.9690 159.8350 121.4511 159.4180 121.9333 164.4727 122.4154 175.7959 122.8975 190.6514 123.3796 207.8252 123.8617 226.1133 124.3438 242.2285 124.8260 251.7725 125.3081 259.4121 125.7902 269.4316 126.2723 283.8076 126.7544 301.1846 127.2365 318.3262 127.7187 335.7910 128.2008 352.1318 128.6829 366.0332 129.1650 379.1221 129.6471 394.0283 130.1292 413.2275 130.6114 436.0449 131.0935 451.9619 131.5756 459.9766 132.0577 461.6992 132.5398 457.0791 133.0219 446.2627 133.5041 429.1758 133.9862 405.1367 134.4683 372.6152 134.9504 342.3496 135.4325 316.8506 135.9146 290.9746 136.3968 260.0879 136.8789 224.4229 137.3610 189.5596 137.8431 162.5068 138.3252 144.7744 138.8073 128.2119 139.2895 112.0996 139.7716 96.96777 140.2537 83.54785 140.7358 72.17773 141.2179 62.08691 141.7000 52.80762 142.1821 44.26953 142.6643 35.60938 143.1464 25.99219 143.6285 15.85742 144.1106 6.353516 144.5927 3.899414 145.0748 11.08105 145.5570 12.18945 146.0391 7.207031 146.5212 0.4228520 147.0033 9.974609 147.4854 22.23242 147.9675 28.32324 148.4497 19.76953 148.9318 9.144531 149.4139 2.655273 149.8960 0.3945310 150.3781 0.3710940 150.8602 0.8613280 151.3424 4.456055 151.8245 6.761719 152.3066 5.768555 152.7887 3.555664 153.2708 0.4199220 153.7529 6.311523 154.2351 13.30078 154.7172 19.32812 155.1993 22.78516 155.6814 27.36719 156.1635 35.84375 156.6456 44.68164 157.1278 49.08984 157.6099 46.53613 158.0920 38.99902 158.5741 34.87598 159.0562 36.43457 159.5383 38.09180 160.0205 38.27441 160.5026 37.43555 160.9847 36.80762 161.4668 37.61035 161.9489 39.54297 162.4310 40.59863 162.9131 40.57129 163.3953 39.62402 163.8774 37.11719 164.3595 33.24414 164.8416 30.36816 165.3237 30.53613 165.8058 32.68848 166.2880 34.16309 166.7701 34.25586 167.2522 33.89648 167.7343 34.28516 168.2164 35.63184 168.6985 36.61914 169.1807 36.46680 169.6628 35.57031 170.1449 34.14941 170.6270 32.03516 171.1091 29.61523 171.5912 27.96484 172.0734 27.77148 172.5555 27.06152 173.0376 24.68164 173.5197 21.46094 174.0018 18.16992 174.4839 14.64746 174.9661 11.57617 175.4482 13.40332 175.9303 27.56055 176.4124 38.47559 176.8945 40.31738 177.3766 36.16309 177.8588 31.59277 178.3409 30.56445 178.8230 33.13379 179.3051 35.94141 179.7872 40.65820 180.2693 43.97070 180.7515 43.69629 181.2336 40.90527 181.7157 38.49902 182.1978 39.14160 182.6799 43.34375 183.1620 44.93457 183.6441 40.98535 184.1263 37.50586 184.6084 38.53711 185.0905 43.45898 185.5726 47.96289 186.0547 47.83398 186.5368 42.26758 187.0190 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1281.905 7.710938 1282.387 8.879395 1282.869 11.52344 1283.352 10.62646 1283.834 7.297363 1284.316 3.486328 1284.798 0.0000000E+00