#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:44:03 +0300 (Thu, 07 Jun 2018) $ #$Revision: 966 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100031.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_8100031 loop_ _publ_author_name 'Newnham, R. E.' 'de Haan, Y. M.' _publ_section_title ; Refinement of the alpha Al2O3, Ti2O3, V2O3 and Cr2O3 structures Locality: synthetic ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 235 _journal_page_last 237 _journal_volume 117 _journal_year 1962 _chemical_compound_source X080003 _chemical_formula_sum 'Al2 O3' _chemical_name_mineral Corundum _space_group_IT_number 167 _symmetry_space_group_name_Hall '-R 3 2"c' _symmetry_space_group_name_H-M 'R -3 c :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 4.7589 _cell_length_b 4.7589 _cell_length_c 12.991 _cell_volume 254.792 _exptl_crystal_density_diffrn 3.987 _cod_original_sg_symbol_H-M 'R -3 c' _cod_database_code 9008081 _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 X080003.rod _rod_data_source.block 3500000 _rod_database.code 8100031 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 9008081 COD http://www.crystallography.net/cod/9008081.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 144.0406 0.0000000E+00 144.5228 7.5989999E-03 145.0049 1.370262 145.4870 2.945656 145.9691 3.891792 146.4512 3.976952 146.9333 3.869286 147.4155 3.367699 147.8976 2.586159 148.3797 1.837044 148.8618 0.7840650 149.3439 1.2238000E-02 149.8260 0.1962200 150.3082 1.008400 150.7903 1.950241 151.2724 2.370705 151.7545 2.250381 152.2366 2.302116 152.7188 2.620117 153.2009 3.080925 153.6830 3.583870 154.1651 4.507301 154.6472 5.089287 155.1293 4.972565 155.6115 4.035156 156.0936 3.390030 156.5757 3.301720 157.0578 3.566292 157.5399 3.964668 158.0220 4.673141 158.5042 5.322975 158.9863 5.746933 159.4684 5.894882 159.9505 6.039024 160.4326 6.298119 160.9147 6.603333 161.3969 6.832352 161.8790 6.994873 162.3611 7.030174 162.8432 6.821022 163.3253 6.195763 163.8074 5.788986 164.2896 6.147316 164.7717 6.927162 165.2538 7.443588 165.7359 7.141388 166.2180 6.600639 166.7001 6.237617 167.1823 6.154411 167.6644 6.263092 168.1465 6.594475 168.6286 7.084824 169.1107 7.530998 169.5928 7.937859 170.0750 8.165497 170.5571 8.021904 171.0392 7.316399 171.5213 6.540405 172.0034 5.930161 172.4855 5.465630 172.9677 5.339920 173.4498 6.224770 173.9319 7.469688 174.4140 8.093559 174.8961 7.575676 175.3782 6.781242 175.8604 6.253334 176.3425 5.906609 176.8246 5.751526 177.3067 6.160332 177.7888 6.649605 178.2709 6.922966 178.7531 7.081146 179.2352 7.003036 179.7173 7.014458 180.1994 7.099182 180.6815 6.946815 181.1636 6.640953 181.6458 5.914848 182.1279 5.308235 182.6100 5.181877 183.0921 5.466011 183.5742 5.890541 184.0563 6.406136 184.5385 6.767456 185.0206 6.579689 185.5027 5.897186 185.9848 5.247795 186.4669 4.775948 186.9490 4.512405 187.4312 4.559830 187.9133 4.962059 188.3954 5.323792 188.8775 5.069153 189.3596 4.245720 189.8417 3.453400 190.3239 2.858063 190.8060 2.449081 191.2881 2.477829 191.7702 3.043846 192.2523 3.672897 192.7344 3.723679 193.2166 3.181923 193.6987 2.608978 194.1808 2.209656 194.6629 1.978424 195.1450 1.820091 195.6271 1.734032 196.1093 1.719337 196.5914 1.855904 197.0735 2.169647 197.5556 2.310524 198.0377 2.044044 198.5198 1.363060 199.0020 0.8240890 199.4841 0.4116900 199.9662 0.1645200 200.4483 0.1983110 200.9304 0.5586090 201.4125 0.9163280 201.8947 1.199066 202.3768 1.343018 202.8589 1.396072 203.3410 1.342964 203.8231 1.216179 204.3052 1.088371 204.7874 0.9741820 205.2695 0.7960590 205.7516 0.4467470 206.2337 0.1406170 206.7158 0.4217680 207.1979 0.3211980 207.6801 1.4977000E-02 208.1622 0.3789290 208.6443 0.8676450 209.1264 1.076065 209.6085 0.6501240 210.0906 0.6824340 210.5728 1.348831 211.0549 1.102531 211.5370 0.3361430 212.0191 2.3894999E-02 212.5012 0.1919940 212.9833 0.3877330 213.4655 0.1928180 213.9476 0.6213910 214.4297 0.9347380 214.9118 0.5012130 215.3939 0.3275680 215.8760 0.6230160 216.3581 9.7007997E-02 216.8403 0.3742520 217.3224 0.2455900 217.8045 0.8988420 218.2866 1.325684 218.7687 0.7534560 219.2508 0.4639740 219.7330 1.426064 220.2151 2.220375 220.6972 2.593094 221.1793 2.281029 221.6614 0.8074950 222.1435 4.6340998E-02 222.6257 5.1422000E-02 223.1078 0.5165330 223.5899 0.9063870 224.0720 1.080330 224.5541 1.138390 225.0362 1.068192 225.5184 0.6563190 226.0005 0.6960140 226.4826 1.476135 226.9647 2.645836 227.4468 3.224586 227.9289 3.000755 228.4111 2.508881 228.8932 1.932617 229.3753 1.090782 229.8574 0.6191860 230.3395 0.6789550 230.8216 1.082649 231.3038 1.309792 231.7859 1.253662 232.2680 1.174416 232.7501 1.164925 233.2322 1.152184 233.7143 1.402496 234.1965 2.155693 234.6786 3.124268 235.1607 3.444771 235.6428 2.614067 236.1249 1.865593 236.6070 1.814293 237.0892 3.002769 237.5713 3.663651 238.0534 3.563797 238.5355 2.995811 239.0176 2.725830 239.4997 2.958618 239.9819 3.192192 240.4640 3.162834 240.9461 2.585472 241.4282 2.446831 241.9103 2.979279 242.3924 3.877701 242.8746 4.395226 243.3567 4.331528 243.8388 4.194305 244.3209 4.202080 244.8030 4.469315 245.2851 4.560936 245.7673 4.341316 246.2494 4.002892 246.7315 3.976547 247.2136 4.413185 247.6957 4.922951 248.1778 5.413132 248.6600 5.998543 249.1421 6.186821 249.6242 5.822151 250.1063 5.149437 250.5884 4.624702 251.0705 4.250977 251.5527 4.011238 252.0348 3.907845 252.5169 3.953583 252.9990 4.103737 253.4811 4.436356 253.9632 4.824272 254.4454 4.989983 254.9275 4.704163 255.4096 4.645126 255.8917 5.218040 256.3738 6.749802 256.8560 7.283447 257.3381 6.374863 257.8202 4.844910 258.3023 3.947556 258.7844 3.920319 259.2665 4.050377 259.7487 4.141449 260.2308 4.184883 260.7129 4.240295 261.1950 4.338203 261.6771 4.412331 262.1592 4.353516 262.6414 4.099594 263.1235 3.869904 263.6056 3.737602 264.0877 3.692543 264.5698 3.551414 265.0519 3.238731 265.5341 3.004112 266.0162 3.176193 266.4983 3.907761 266.9804 4.545624 267.4625 4.927444 267.9446 4.995224 268.4268 4.931999 268.9089 4.706779 269.3910 4.488914 269.8731 4.367073 270.3552 4.316429 270.8373 4.276863 271.3195 4.233200 271.8016 4.229668 272.2837 4.446144 272.7658 4.974937 273.2479 5.432655 273.7300 5.448357 274.2122 4.994698 274.6943 4.701607 275.1764 4.642250 275.6585 4.713661 276.1406 4.784172 276.6227 4.948166 277.1049 5.133263 277.5870 5.193161 278.0691 5.111130 278.5512 4.998940 279.0333 4.821243 279.5154 4.626793 279.9976 4.714371 280.4797 5.185242 280.9618 5.550735 281.4439 5.285629 281.9260 4.376976 282.4081 3.814247 282.8903 3.809410 283.3724 4.175728 283.8545 4.543373 284.3366 4.922127 284.8187 5.272118 285.3008 5.549644 285.7830 5.752289 286.2651 5.831596 286.7472 5.743408 287.2293 5.616928 287.7114 5.788551 288.1935 6.284729 288.6757 6.687599 289.1578 6.722374 289.6399 6.439842 290.1220 6.089981 290.6041 5.673325 291.0862 5.232910 291.5684 4.665245 292.0505 4.025597 292.5326 3.816803 293.0147 4.700867 293.4968 6.209763 293.9789 6.881798 294.4611 6.593681 294.9432 5.983536 295.4253 5.730408 295.9074 5.768509 296.3895 5.826950 296.8716 5.883034 297.3538 5.867050 297.8359 5.546860 298.3180 4.903831 298.8001 4.293060 299.2822 4.154160 299.7643 4.321304 300.2465 4.343704 300.7286 3.830170 301.2107 3.234825 301.6928 3.331825 302.1749 4.072975 302.6570 4.735252 303.1392 4.757721 303.6213 4.306641 304.1034 3.610664 304.5855 2.411438 305.0676 1.372940 305.5497 1.336990 306.0319 2.140053 306.5140 2.932159 306.9961 3.189758 307.4782 3.103645 307.9603 2.852409 308.4424 2.340149 308.9246 1.929153 309.4067 1.984756 309.8888 2.382782 310.3709 2.774361 310.8530 2.938049 311.3351 3.027435 311.8173 3.209206 312.2994 3.584564 312.7815 3.826691 313.2636 3.565933 313.7457 3.050529 314.2278 2.725220 314.7100 2.867477 315.1921 3.199142 315.6742 3.614403 316.1563 4.133789 316.6384 4.531487 317.1205 4.652687 317.6027 4.605858 318.0848 4.526306 318.5669 4.542572 319.0490 4.456970 319.5311 4.110245 320.0132 3.482323 320.4954 2.989494 320.9775 2.895042 321.4596 2.917274 321.9417 2.818604 322.4238 2.302338 322.9059 1.917480 323.3881 1.978592 323.8702 2.419930 324.3523 2.437103 324.8344 1.321724 325.3165 0.1403960 325.7986 0.4856570 326.2808 3.8612001E-02 326.7629 0.4767070 327.2450 0.8108060 327.7271 1.016579 328.2092 0.9958190 328.6913 0.3185880 329.1735 0.2051320 329.6556 0.2042690 330.1377 0.9137040 330.6198 1.409851 331.1019 0.8776090 331.5840 0.1563720 332.0662 0.6877980 332.5483 0.3886570 333.0304 5.8196999E-02 333.5125 5.1201001E-02 333.9946 9.5992997E-02 334.4767 0.2783580 334.9589 0.5317310 335.4410 0.7849660 335.9231 0.9639430 336.4052 1.097473 336.8873 1.065239 337.3694 0.7666020 337.8516 0.2269740 338.3336 0.1224750 338.8158 0.2906490 339.2979 0.2544020 339.7800 0.1720120 340.2621 1.114388 340.7442 1.481621 341.2263 0.8765790 341.7085 0.3348080 342.1906 0.8686980 342.6727 0.6574940 343.1548 0.2251740 343.6369 0.2164230 344.1190 0.6435320 344.6012 0.6402210 345.0833 4.8179999E-02 345.5654 0.7699430 346.0475 1.105621 346.5296 0.9900210 347.0117 0.9525450 347.4939 1.457832 347.9760 2.275459 348.4581 2.551064 348.9402 2.147781 349.4223 1.752647 349.9044 2.289246 350.3866 3.518684 350.8687 4.624100 351.3508 5.211693 351.8329 5.512199 352.3150 5.945793 352.7971 6.504463 353.2793 6.869041 353.7614 6.552895 354.2435 5.928734 354.7256 5.630432 355.2077 6.085587 355.6898 6.622360 356.1720 6.588852 356.6541 6.098328 357.1362 5.642982 357.6183 5.543304 358.1004 5.582497 358.5826 5.522812 359.0647 5.202065 359.5468 5.083946 360.0289 5.475151 360.5110 6.240486 360.9931 7.127045 361.4753 7.806442 361.9574 8.753380 362.4395 10.40495 362.9216 12.97004 363.4037 15.11877 363.8858 16.19431 364.3680 16.75848 364.8501 17.40607 365.3322 18.55190 365.8143 19.48865 366.2964 19.90833 366.7785 19.82784 367.2607 19.97896 367.7428 20.27792 368.2249 20.93169 368.7070 22.08609 369.1891 24.36762 369.6712 26.28188 370.1534 27.40305 370.6355 28.12046 371.1176 29.65949 371.5997 32.30673 372.0818 35.40642 372.5639 38.68842 373.0461 42.04836 373.5282 45.99661 374.0103 50.56258 374.4924 55.75886 374.9745 61.49508 375.4566 67.72971 375.9388 74.76436 376.4209 82.74854 376.9030 91.73373 377.3851 101.3365 377.8672 112.4154 378.3493 121.8543 378.8315 127.8914 379.3136 130.6542 379.7957 125.1546 380.2778 108.2855 380.7599 84.78417 381.2420 64.38644 381.7242 47.41997 382.2063 33.88963 382.6884 24.84019 383.1705 19.48387 383.6526 15.66070 384.1347 13.40054 384.6169 11.92683 385.0990 10.42513 385.5811 8.970917 386.0632 7.886299 386.5453 7.553894 387.0274 7.557167 387.5096 7.360382 387.9917 6.968254 388.4738 6.609230 388.9559 6.532394 389.4380 6.582993 389.9201 6.534500 390.4023 6.217850 390.8844 5.996193 391.3665 6.182381 391.8486 6.674561 392.3307 7.110336 392.8128 7.320206 393.2950 7.402817 393.7771 7.380096 394.2592 7.134491 394.7413 7.119934 395.2234 7.701736 395.7055 8.585770 396.1877 9.283859 396.6698 9.021797 397.1519 9.184464 397.6340 10.21488 398.1161 12.14188 398.5982 14.41913 399.0804 16.65002 399.5625 19.54338 400.0446 23.58952 400.5267 29.45906 401.0088 35.58398 401.4909 42.23985 401.9731 49.07094 402.4552 54.50346 402.9373 58.08324 403.4194 61.00882 403.9015 63.70316 404.3836 65.96093 404.8658 68.88209 405.3479 72.55663 405.8300 76.79420 406.3121 81.14886 406.7942 85.48316 407.2763 90.78534 407.7585 97.56137 408.2406 105.6442 408.7227 113.6766 409.2048 121.4779 409.6869 130.2461 410.1690 140.4139 410.6512 152.1955 411.1333 167.2687 411.6154 186.3108 412.0975 208.0882 412.5796 230.6714 413.0617 254.4011 413.5439 280.9839 414.0260 311.0672 414.5081 344.9998 414.9902 383.5536 415.4723 427.2235 415.9544 472.8243 416.4366 532.5754 416.9187 589.1713 417.4008 616.5972 417.8829 603.1550 418.3650 559.8663 418.8471 477.1379 419.3293 363.1490 419.8114 261.2238 420.2935 189.5952 420.7756 137.1950 421.2577 99.26511 421.7398 78.40171 422.2220 63.40587 422.7041 53.79546 423.1862 48.10383 423.6683 43.60294 424.1504 40.08431 424.6325 37.54874 425.1147 36.12852 425.5968 35.87946 426.0789 36.02695 426.5610 36.75319 427.0431 37.71008 427.5252 38.62893 428.0074 39.52842 428.4895 40.37708 428.9716 41.30579 429.4537 42.12314 429.9358 42.29324 430.4179 41.89870 430.9001 40.58098 431.3822 37.94052 431.8643 33.95822 432.3464 29.85416 432.8285 25.51344 433.3106 21.43488 433.7928 18.23595 434.2749 15.87826 434.7570 14.07701 435.2391 12.92370 435.7212 12.13103 436.2033 11.12070 436.6855 9.927193 437.1676 8.804527 437.6497 7.990402 438.1318 7.350494 438.6139 6.676338 439.0960 5.922592 439.5782 5.177086 440.0603 4.348602 440.5424 3.589951 441.0245 3.196373 441.5066 3.612335 441.9887 4.159164 442.4709 4.451340 442.9530 4.481415 443.4351 4.460426 443.9172 4.343552 444.3993 4.277603 444.8814 4.375313 445.3636 4.825394 445.8457 5.208694 446.3278 5.503204 446.8099 5.689621 447.2920 5.726906 447.7741 5.502045 448.2563 5.250473 448.7384 4.961136 449.2205 4.567017 449.7026 4.695122 450.1847 5.660202 450.6668 6.751610 451.1490 7.405182 451.6311 7.695457 452.1132 7.168503 452.5953 5.454483 453.0774 3.107254 453.5595 1.501595 454.0417 0.6643830 454.5238 0.2829130 455.0059 0.3819500 455.4880 0.8428650 455.9701 1.032654 456.4522 0.9093860 456.9344 0.6590500 457.4165 0.4619520 457.8986 0.2961040 458.3807 9.3902998E-02 458.8628 0.2531590 459.3449 0.5508650 459.8271 0.5391850 460.3092 0.2690810 460.7913 3.7765998E-02 461.2734 0.4356310 461.7555 0.7033540 462.2376 0.5617370 462.7198 0.1400760 463.2019 0.7093280 463.6840 0.6507490 464.1661 0.3335800 464.6482 0.2046200 465.1303 0.6282120 465.6125 0.9958800 466.0946 1.103745 466.5767 0.9824140 467.0588 0.9310910 467.5409 1.251923 468.0230 1.397652 468.5052 1.037277 468.9873 0.3241040 469.4694 0.9131240 469.9515 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