#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:54:17 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1005 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000462.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_1000462 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 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 R060659.rod _rod_data_source.block 3500000 _rod_database.code 1000462 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 145.0049 0.0000000E+00 145.4870 0.2351680 145.9691 0.4391480 146.4512 2.171204 146.9333 3.106689 147.4155 5.543213 147.8976 5.292908 148.3797 4.313293 148.8618 2.133118 149.3439 0.1142580 149.8260 0.8853150 150.3082 0.2052610 150.7903 1.102905 151.2724 1.428894 151.7545 1.146301 152.2366 1.334778 152.7188 2.431152 153.2009 3.794006 153.6830 4.886963 154.1651 5.453369 154.6472 5.933655 155.1293 6.476074 155.6115 7.140381 156.0936 7.434082 156.5757 6.884155 157.0578 6.065613 157.5399 5.607117 158.0220 6.005920 158.5042 6.506592 158.9863 6.835388 159.4684 6.955200 159.9505 7.056519 160.4326 7.301025 160.9147 7.554810 161.3969 7.612854 161.8790 7.047791 162.3611 6.533020 162.8432 6.505737 163.3253 7.188477 163.8074 7.807251 164.2896 7.961365 164.7717 7.788452 165.2538 7.569885 165.7359 7.190369 166.2180 6.930298 166.7001 7.064087 167.1823 7.803223 167.6644 8.533997 168.1465 8.940125 168.6286 9.030945 169.1107 8.847290 169.5928 8.078735 170.0750 7.182739 170.5571 6.678223 171.0392 6.884338 171.5213 7.176086 172.0034 6.985413 172.4855 6.409058 172.9677 5.850586 173.4498 5.373840 173.9319 5.126709 174.4140 5.374329 174.8961 6.500671 175.3782 7.788086 175.8604 8.469727 176.3425 8.597961 176.8246 8.567383 177.3067 8.639282 177.7888 8.778259 178.2709 8.896606 178.7531 8.947754 179.2352 8.990417 179.7173 9.127563 180.1994 9.358887 180.6815 9.604980 181.1636 9.903748 181.6458 10.18054 182.1279 10.15808 182.6100 9.493591 183.0921 8.588257 183.5742 8.299072 184.0563 8.635132 184.5385 9.256592 185.0206 9.986145 185.5027 10.76862 185.9848 11.27777 186.4669 11.32428 186.9490 11.02100 187.4312 10.61230 187.9133 10.03937 188.3954 9.682800 188.8775 10.28174 189.3596 11.75873 189.8417 13.09570 190.3239 13.57086 190.8060 13.28693 191.2881 13.33765 191.7702 13.61603 192.2523 14.09436 192.7344 14.95789 193.2166 15.95416 193.6987 16.67603 194.1808 16.64954 194.6629 15.94348 195.1450 16.17487 195.6271 17.43750 196.1093 19.13983 196.5914 20.45959 197.0735 21.36273 197.5556 22.15308 198.0377 22.90216 198.5198 23.61554 199.0020 24.58386 199.4841 25.92719 199.9662 27.30359 200.4483 27.96246 200.9304 27.70172 201.4125 27.91797 201.8947 29.43976 202.3768 32.39636 202.8589 35.01196 203.3410 37.24951 203.8231 39.17780 204.3052 40.78882 204.7874 42.00262 205.2695 43.29700 205.7516 44.98608 206.2337 47.17188 206.7158 49.10449 207.1979 50.79340 207.6801 52.15778 208.1622 53.11420 208.6443 53.49744 209.1264 53.80017 209.6085 54.46582 210.0906 55.84479 210.5728 55.92322 211.0549 54.37115 211.5370 51.71613 212.0191 49.13177 212.5012 46.63806 212.9833 44.14246 213.4655 41.60315 213.9476 38.96869 214.4297 36.39197 214.9118 33.61786 215.3939 31.04462 215.8760 29.75647 216.3581 30.26819 216.8403 31.01031 217.3224 31.18964 217.8045 30.55591 218.2866 30.12927 218.7687 29.98206 219.2508 30.01532 219.7330 29.90503 220.2151 29.42438 220.6972 29.17676 221.1793 29.63782 221.6614 31.51843 222.1435 32.11920 222.6257 31.06274 223.1078 28.79993 223.5899 26.49347 224.0720 23.96326 224.5541 21.68475 225.0362 19.89490 225.5184 18.83936 226.0005 17.73041 226.4826 16.60242 226.9647 15.41907 227.4468 14.06152 227.9289 12.60712 228.4111 10.89844 228.8932 8.706482 229.3753 5.347412 229.8574 3.219543 230.3395 2.834473 230.8216 3.602112 231.3038 3.925049 231.7859 3.647522 232.2680 3.158569 232.7501 2.585754 233.2322 1.748169 233.7143 1.026062 234.1965 0.3392330 234.6786 0.1834110 235.1607 0.1392820 235.6428 0.9028320 236.1249 1.849243 236.6070 2.144348 237.0892 1.215759 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1481.336 398.1161 1479.112 398.5982 1467.416 399.0804 1444.426 399.5625 1413.096 400.0446 1375.493 400.5267 1330.827 401.0088 1280.860 401.4909 1225.111 401.9731 1164.354 402.4552 1102.071 402.9373 1036.672 403.4194 972.3248 403.9015 910.8506 404.3836 852.3101 404.8658 796.0479 405.3479 742.2897 405.8300 691.2087 406.3121 642.3981 406.7942 595.7325 407.2763 552.0344 407.7585 511.7108 408.2406 474.4123 408.7227 439.1455 409.2048 405.9451 409.6869 375.4241 410.1690 348.7679 410.6512 325.7089 411.1333 303.6979 411.6154 282.0323 412.0975 261.6351 412.5796 243.6835 413.0617 228.0400 413.5439 213.6414 414.0260 199.5762 414.5081 186.3710 414.9902 175.1362 415.4723 166.0957 415.9544 157.7935 416.4366 149.1412 416.9187 140.6327 417.4008 133.1320 417.8829 127.0898 418.3650 121.7094 418.8471 116.8516 419.3293 112.6220 419.8114 108.5159 420.2935 104.1213 420.7756 100.1015 421.2577 96.93982 421.7398 95.06274 422.2220 93.59271 422.7041 92.46393 423.1862 91.66858 423.6683 91.29840 424.1504 91.57501 424.6325 91.94507 425.1147 92.26233 425.5968 92.53790 426.0789 93.17450 426.5610 94.46222 427.0431 95.98676 427.5252 97.37115 428.0074 98.33838 428.4895 100.1386 428.9716 103.2233 429.4537 107.2609 429.9358 110.5477 430.4179 113.0463 430.9001 115.4071 431.3822 117.4642 431.8643 119.3727 432.3464 122.2678 432.8285 126.2752 433.3106 130.7152 433.7928 134.2247 434.2749 137.0925 434.7570 141.2316 435.2391 147.7788 435.7212 155.5546 436.2033 161.4640 436.6855 165.8173 437.1676 171.1227 437.6497 179.6781 438.1318 190.2782 438.6139 201.0977 439.0960 212.1940 439.5782 222.7555 440.0603 232.3888 440.5424 241.0532 441.0245 248.7871 441.5066 255.5724 441.9887 261.2898 442.4709 266.1776 442.9530 270.1783 443.4351 272.4509 443.9172 273.7372 444.3993 272.4169 444.8814 267.2056 445.3636 256.1753 445.8457 243.6516 446.3278 228.9066 446.8099 213.0583 447.2920 198.6851 447.7741 185.3406 448.2563 173.9372 448.7384 165.2618 449.2205 159.5761 449.7026 153.6625 450.1847 146.7153 450.6668 140.6899 451.1490 137.6226 451.6311 137.9984 452.1132 139.4592 452.5953 141.6890 453.0774 144.7988 453.5595 149.6143 454.0417 156.3837 454.5238 163.1048 455.0059 168.8674 455.4880 173.6720 455.9701 178.0865 456.4522 182.1998 456.9344 185.1989 457.4165 186.2578 457.8986 185.4979 458.3807 183.3181 458.8628 180.2938 459.3449 175.4049 459.8271 167.3093 460.3092 156.2241 460.7913 143.0068 461.2734 126.4694 461.7555 109.1309 462.2376 92.55920 462.7198 76.88153 463.2019 63.18951 463.6840 52.43396 464.1661 43.93976 464.6482 36.88916 465.1303 32.02490 465.6125 27.56433 466.0946 22.98309 466.5767 18.29944 467.0588 14.19495 467.5409 10.48090 468.0230 7.564636 468.5052 3.192139 468.9873 3.646851 469.4694 3.562927 469.9515 2.969299 470.4336 0.3413700 470.9157 0.3389280 471.3979 0.7167970 471.8800 1.816528 472.3621 1.452087 472.8442 3.789063 473.3263 3.451050 473.8084 4.183716 474.2906 4.429810 474.7727 5.737183 475.2548 6.720886 475.7369 4.412476 476.2190 4.162781 476.7011 5.941711 477.1833 5.090698 477.6654 5.288269 478.1475 5.524841 478.6296 4.292786 479.1117 5.756470 479.5938 4.540161 480.0760 4.388428 480.5581 3.743835 481.0402 4.154114 481.5223 4.233887 482.0044 3.250427 482.4865 2.849609 482.9687 3.366577 483.4508 2.667664 483.9329 4.130249 484.4150 3.689392 484.8971 2.425598 485.3792 2.871033 485.8614 2.134949 486.3435 1.843689 486.8256 3.587524 487.3077 1.782532 487.7898 1.507263 488.2719 2.802734 488.7541 1.108459 489.2362 2.179810 489.7183 2.259521 490.2004 1.592102 490.6825 1.696899 491.1646 0.5756230 491.6468 0.6286010 492.1289 0.7830810 492.6110 0.4749150 493.0931 1.464417 493.5752 3.6559999E-02 494.0573 0.2541500 494.5395 0.3515010 495.0216 1.146790 495.5037 0.5232540 495.9858 1.409668 496.4679 3.5645001E-02 496.9500 0.4768680 497.4322 0.7825320 497.9143 2.341003 498.3964 0.9217530 498.8785 1.394775 499.3606 2.675842 499.8427 2.835571 500.3249 3.470215 500.8070 2.716064 501.2891 3.274475 501.7712 3.476196 502.2533 4.928711 502.7354 5.401611 503.2176 4.692383 503.6997 3.992737 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