#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:35:40 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1174 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000593.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_1000593 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 R060659 _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 _exptl_crystal_density_diffrn 1.938 _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 R060659.rod _rod_data_source.block 3500000 _rod_database.code 1000593 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 145.3697 0.0000000E+00 145.8518 0.2894130 146.3340 0.2076420 146.8161 0.1508480 147.2982 0.5695340 147.7803 1.5259000E-02 148.2624 0.4060520 148.7445 0.4320980 149.2267 0.6787870 149.7088 0.4936980 150.1909 0.4190370 150.6730 0.7894740 151.1551 0.9386600 151.6372 0.7306370 152.1194 0.9876400 152.6015 0.4117580 153.0836 0.5385590 153.5657 1.008057 154.0478 0.8012080 154.5300 1.011597 155.0121 1.063248 155.4942 0.5286710 155.9763 1.192612 156.4584 1.420288 156.9405 0.8446960 157.4227 1.420746 157.9048 0.9411320 158.3869 0.7692410 158.8690 0.9439540 159.3511 0.7806850 159.8332 1.091568 160.3154 0.9557800 160.7975 0.7485500 161.2796 0.7187960 161.7617 0.2066650 162.2438 0.6011960 162.7259 0.3820500 163.2081 0.4752200 163.6902 0.6430050 164.1723 0.2817690 164.6544 0.4904020 165.1365 0.1725770 165.6186 9.7717002E-02 166.1008 9.7274996E-02 166.5829 0.3763280 167.0650 0.2640380 167.5471 0.1914830 168.0292 0.1873780 168.5113 0.1487880 168.9935 0.2914430 169.4756 8.3618000E-02 169.9577 3.7032999E-02 170.4398 2.7327999E-02 170.9219 0.4900970 171.4040 0.5887300 171.8862 0.2471010 172.3683 8.7631002E-02 172.8504 0.4283910 173.3325 0.1474300 173.8146 0.3037260 174.2967 1.8173000E-02 174.7789 0.1234890 175.2610 0.2276310 175.7431 0.8341370 176.2252 0.7595520 176.7073 0.6691890 177.1894 1.128754 177.6716 0.5759430 178.1537 1.027313 178.6358 1.078049 179.1179 1.312302 179.6000 1.149506 180.0822 1.109344 180.5643 1.466507 181.0464 1.603485 181.5285 1.394653 182.0106 1.640335 182.4927 1.073669 182.9749 1.219589 183.4570 1.672806 183.9391 1.483231 184.4212 1.735016 184.9033 1.818176 185.3854 1.136002 185.8676 1.783585 186.3497 1.855789 186.8318 1.337143 187.3139 1.938736 187.7960 1.501297 188.2781 1.434631 188.7603 1.646881 189.2424 1.568359 189.7245 1.948959 190.2066 1.888458 190.6887 1.789474 191.1708 1.863586 191.6530 1.450836 192.1351 1.944519 192.6172 1.820877 193.0993 2.006058 193.5814 2.262192 194.0635 1.985596 194.5457 2.275131 195.0278 1.689377 195.5099 1.837769 195.9920 1.908066 196.4741 2.447220 196.9562 1.868011 197.4384 1.997177 197.9205 2.427887 198.4026 2.436600 198.8847 2.621536 199.3668 2.283783 199.8489 2.436600 200.3311 2.453903 200.8132 2.630096 201.2953 2.995468 201.7774 3.275162 202.2595 3.397629 202.7417 3.507797 203.2238 3.562286 203.7059 3.627701 204.1880 3.842667 204.6701 4.291748 205.1522 4.902832 205.6344 5.345749 206.1165 5.451859 206.5986 5.612549 207.0807 5.955017 207.5628 6.407425 208.0449 6.861008 208.5271 7.284103 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341.1092 44.13857 341.5913 44.93240 342.0735 46.40843 342.5556 48.21556 343.0377 49.90253 343.5198 51.25012 344.0019 52.57364 344.4840 54.43930 344.9662 57.00363 345.4483 59.47284 345.9304 61.75548 346.4125 63.76166 346.8946 65.67290 347.3767 67.51674 347.8589 68.31155 348.3410 67.04791 348.8231 63.73328 349.3052 59.52139 349.7873 54.39227 350.2694 48.47643 350.7516 41.60637 351.2337 34.03595 351.7158 27.01495 352.1979 21.11206 352.6800 16.26924 353.1621 12.39091 353.6443 9.585602 354.1264 7.469864 354.6085 6.063507 355.0906 5.104034 355.5727 4.376633 356.0548 3.895874 356.5370 3.496506 357.0191 2.401794 357.5012 2.763779 357.9833 2.885040 358.4654 2.853470 358.9475 2.064438 359.4297 2.232422 359.9118 2.042572 360.3939 1.814270 360.8760 2.134888 361.3581 1.458893 361.8402 1.786545 362.3224 1.738983 362.8045 1.876465 363.2866 1.616577 363.7687 1.501877 364.2509 1.787689 364.7330 1.844528 365.2151 1.565887 365.6972 1.709290 366.1793 1.990219 366.6614 2.656982 367.1436 3.182877 367.6257 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394.6242 125.0978 395.1063 126.5955 395.5884 128.3507 396.0706 130.4706 396.5527 132.3733 397.0348 133.2759 397.5169 133.0065 397.9990 132.3944 398.4811 131.6902 398.9633 130.3940 399.4454 128.2718 399.9275 125.3708 400.4096 121.7979 400.8917 117.5564 401.3738 112.7548 401.8560 107.8559 402.3381 102.9097 402.8202 97.77231 403.3023 92.33026 403.7844 86.71362 404.2665 80.93988 404.7487 74.98871 405.2308 69.19324 405.7129 63.89627 406.1950 59.05154 406.6771 55.00696 407.1592 52.52319 407.6414 50.18704 408.1235 46.85698 408.6056 42.69043 409.0877 38.65410 409.5698 35.32629 410.0519 32.53194 410.5341 29.78665 411.0162 27.00488 411.4983 24.60506 411.9804 23.23071 412.4626 22.36009 412.9447 21.11320 413.4268 19.09770 413.9089 17.10352 414.3910 15.80667 414.8731 15.11424 415.3553 14.56970 415.8374 14.05983 416.3195 13.56287 416.8016 13.04305 417.2837 12.49779 417.7658 12.00325 418.2480 11.71786 418.7301 11.40820 419.2122 10.80093 419.6943 9.894135 420.1764 8.797913 420.6585 9.319962 421.1407 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