#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:28:33 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1126 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100049.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_8100049 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 R110098 _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 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 R110098.rod _rod_data_source.block 3500000 _rod_database.code 8100049 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 103.6564 0.0000000E+00 104.1385 0.5757750 104.6207 1.502075 105.1028 2.584778 105.5849 3.555939 106.0670 4.227997 106.5491 4.718750 107.0313 5.117035 107.5134 5.352325 107.9955 5.298737 108.4776 4.879852 108.9597 2.997864 109.4418 1.314728 109.9240 0.9831540 110.4061 1.159088 110.8882 2.005768 111.3703 3.497742 111.8524 3.033722 112.3345 2.423615 112.8167 1.249329 113.2988 0.5624690 113.7809 0.8534550 114.2630 1.718048 114.7451 2.774689 115.2272 3.296600 115.7094 3.492340 116.1915 3.511078 116.6736 3.606995 117.1557 3.315369 117.6378 1.727356 118.1199 0.6399540 118.6021 1.968933 119.0842 0.3273620 119.5663 4.526337 120.0484 7.121307 120.5305 5.793060 121.0126 3.282990 121.4948 1.871765 121.9769 1.870636 122.4590 2.545959 122.9411 3.760040 123.4232 5.260803 123.9053 5.845001 124.3875 4.227722 124.8696 1.320679 125.3517 0.2398380 125.8338 0.4765320 126.3159 1.788452 126.7980 2.562897 127.2802 2.737183 127.7623 2.767548 128.2444 2.998932 128.7265 3.457184 129.2086 3.843384 129.6907 3.884094 130.1729 4.036804 130.6550 4.807465 131.1371 6.123749 131.6192 7.255127 132.1013 7.041870 132.5834 4.335175 133.0656 2.534821 133.5477 2.074249 134.0298 2.140900 134.5119 2.096741 134.9940 1.741333 135.4761 1.316681 135.9583 1.431305 136.4404 2.685852 136.9225 3.767334 137.4046 4.717773 137.8867 5.439423 138.3688 5.713013 138.8510 5.380768 139.3331 4.658081 139.8152 4.274292 140.2973 4.569275 140.7794 4.646637 141.2615 3.854919 141.7437 2.410645 142.2258 1.281860 142.7079 1.048767 143.1900 1.472046 143.6721 1.838257 144.1542 1.841095 144.6364 2.129669 145.1185 3.883118 145.6006 7.518951 146.0827 10.06223 146.5648 8.912292 147.0469 6.170959 147.5291 3.845764 148.0112 2.713287 148.4933 2.326965 148.9754 1.588165 149.4575 0.1262820 149.9396 1.044250 150.4218 0.3416140 150.9039 1.279938 151.3860 2.957031 151.8681 4.243286 152.3502 5.138611 152.8323 5.596375 153.3145 5.209534 153.7966 4.727722 154.2787 4.328125 154.7608 3.943634 155.2429 3.318115 155.7250 2.134827 156.2072 0.2704160 156.6893 0.1424560 157.1714 2.387878 157.6535 4.696350 158.1356 5.244080 158.6177 4.194855 159.0999 2.819733 159.5820 2.305603 160.0641 2.838806 160.5462 2.958862 161.0283 2.267426 161.5104 1.499969 161.9926 1.126495 162.4747 1.215454 162.9568 1.545654 163.4389 2.073334 163.9210 2.771210 164.4031 2.943329 164.8853 1.955505 165.3674 0.5223690 165.8495 0.2728880 166.3316 0.1920170 166.8137 0.2944950 167.2958 0.8988650 167.7780 1.574066 168.2601 2.070374 168.7422 2.195984 169.2243 2.019440 169.7064 1.840027 170.1885 1.690399 170.6707 1.524048 171.1528 1.278137 171.6349 1.004059 172.1170 0.8037720 172.5991 0.7758790 173.0812 0.9260560 173.5634 1.035248 174.0455 1.101563 174.5276 1.108093 175.0097 0.9488220 175.4918 0.6702270 175.9739 0.4058840 176.4561 0.3911130 176.9382 0.8993230 177.4203 1.516388 177.9024 2.470184 178.3845 3.244568 178.8666 3.424896 179.3488 3.028687 179.8309 2.486084 180.3130 2.441559 180.7951 3.453979 181.2772 3.631989 181.7593 2.196198 182.2415 0.5429380 182.7236 0.2775880 183.2057 4.8431002E-02 183.6878 0.7709660 184.1699 1.412720 184.6520 1.753113 185.1342 2.129974 185.6163 2.610626 186.0984 3.105927 186.5805 3.602325 187.0626 4.113342 187.5447 4.431366 188.0269 4.024567 188.5090 2.623474 188.9911 1.692871 189.4732 1.893188 189.9553 2.723785 190.4374 3.322968 190.9196 3.421722 191.4017 3.261475 191.8838 3.094299 192.3659 2.877014 192.8480 2.932312 193.3301 3.763184 193.8123 5.073334 194.2944 5.670074 194.7765 4.793182 195.2586 3.658325 195.7407 3.653503 196.2228 4.797913 196.7050 5.966858 197.1871 6.382050 197.6692 6.066254 198.1513 5.489075 198.6334 4.333160 199.1155 3.298340 199.5977 2.928284 200.0798 3.246368 200.5619 3.734314 201.0440 3.957489 201.5261 3.881775 202.0082 3.771240 202.4904 3.543518 202.9725 3.372650 203.4546 3.308838 203.9367 3.375610 204.4188 3.618561 204.9009 4.188995 205.3831 5.321808 205.8652 6.040955 206.3473 5.886993 206.8294 5.664764 207.3115 5.923035 207.7936 6.677338 208.2758 7.555450 208.7579 7.933716 209.2400 7.541382 209.7221 7.184601 210.2042 6.767609 210.6863 6.442963 211.1685 6.379456 211.6506 6.579712 212.1327 6.843811 212.6148 6.876556 213.0969 6.541809 213.5790 6.244965 214.0612 5.889832 214.5433 5.605164 215.0254 5.626007 215.5075 5.978607 215.9896 6.387726 216.4717 6.458649 216.9539 6.017380 217.4360 5.606216 217.9181 5.161957 218.4002 4.785080 218.8823 4.637421 219.3644 4.762009 219.8466 4.911102 220.3287 4.683319 220.8108 3.964218 221.2929 3.521835 221.7750 3.492172 222.2571 3.781357 222.7393 4.523773 223.2214 5.869461 223.7035 6.932877 224.1856 6.058777 224.6677 3.403931 225.1498 1.632996 225.6320 2.129974 226.1141 3.763290 226.5962 4.638367 227.0783 4.315750 227.5604 3.661163 228.0425 3.374344 228.5247 3.351028 229.0068 3.611954 229.4889 4.507034 229.9710 5.660309 230.4531 6.112701 230.9352 5.458893 231.4174 4.747528 231.8995 4.977463 232.3816 5.825012 232.8637 6.403976 233.3458 6.125687 233.8279 5.233765 234.3101 4.460373 234.7922 3.717056 235.2743 3.323639 235.7564 3.442657 236.2385 3.974945 236.7206 4.779053 237.2028 6.112839 237.6849 7.678818 238.1670 8.077362 238.6491 6.354507 239.1312 4.861984 239.6133 4.755829 240.0955 5.476517 240.5776 6.058685 241.0597 5.899445 241.5418 5.165695 242.0239 4.675156 242.5060 4.511948 242.9882 4.506058 243.4703 4.807465 243.9524 5.175339 244.4345 5.212540 244.9166 4.620300 245.3987 3.603149 245.8809 3.171783 246.3630 3.940704 246.8451 4.529907 247.3272 4.598495 247.8093 4.349625 248.2914 4.012115 248.7736 3.693405 249.2557 3.438324 249.7378 3.446701 250.2199 4.099930 250.7020 4.546326 251.1841 4.536163 251.6663 4.317337 252.1484 4.193604 252.6305 4.309647 253.1126 4.575226 253.5947 4.703537 254.0768 4.624680 254.5590 4.479874 255.0411 4.495728 255.5232 4.376724 256.0053 3.590500 256.4874 1.883392 256.9695 0.1368870 257.4517 0.9670870 257.9338 1.016693 258.4159 2.286255 258.8980 2.459030 259.3801 2.081146 259.8622 1.536560 260.3444 0.9785770 260.8265 0.6688690 261.3086 1.152603 261.7907 3.766586 262.2728 5.126862 262.7549 4.025681 263.2371 2.153656 263.7192 1.228806 264.2013 1.690308 264.6834 2.743195 265.1655 3.178452 265.6476 2.640228 266.1298 2.307266 266.6119 2.469696 267.0940 2.698212 267.5761 2.456909 268.0582 1.664734 268.5403 0.9306030 269.0225 1.104065 269.5046 2.560913 269.9867 3.072327 270.4688 1.514969 270.9509 0.3332060 271.4330 0.7816310 271.9152 0.3306120 272.3973 1.807571 272.8794 2.588959 273.3615 2.598557 273.8436 2.452118 274.3257 1.864868 274.8079 1.310699 275.2900 1.166779 275.7721 1.486542 276.2542 2.043396 276.7363 2.892105 277.2184 3.884659 277.7006 4.182663 278.1827 2.947891 278.6648 1.659973 279.1469 1.597305 279.6290 2.604370 280.1111 3.285599 280.5933 2.598572 281.0754 1.017410 281.5575 0.2583920 282.0396 0.7812500 282.5217 1.539505 283.0038 2.079193 283.4860 2.342773 283.9681 2.092987 284.4502 0.9222110 284.9323 0.5361940 285.4144 0.9437560 285.8965 9.5963001E-02 286.3787 1.166122 286.8608 1.357162 287.3429 0.9047850 287.8250 0.6925200 288.3071 1.087845 288.7892 1.742249 289.2714 2.145172 289.7535 2.280365 290.2356 2.365219 290.7177 2.621674 291.1998 2.904663 291.6819 2.734818 292.1641 1.797241 292.6462 0.8087620 293.1283 0.6044770 293.6104 1.089066 294.0925 1.680878 294.5746 2.302216 295.0568 2.857376 295.5389 3.096405 296.0210 2.906174 296.5031 2.641846 296.9852 2.675110 297.4673 2.896530 297.9495 2.994965 298.4316 2.642975 298.9137 2.161346 299.3958 2.340973 299.8779 3.374725 300.3600 4.285095 300.8422 4.241516 301.3243 3.650635 301.8064 3.175949 302.2885 2.956482 302.7706 2.907410 303.2527 2.967239 303.7349 3.142578 304.2170 3.316818 304.6991 3.376740 305.1812 3.437241 305.6633 3.722458 306.1454 4.412460 306.6276 4.946548 307.1097 4.766541 307.5918 3.907501 308.0739 2.893936 308.5560 1.590836 309.0381 0.5151210 309.5203 0.2893830 310.0024 0.9958500 310.4845 1.827515 310.9666 2.397614 311.4487 2.680786 311.9308 2.459808 312.4130 1.393494 312.8951 0.2426610 313.3772 0.2649990 313.8593 0.2116700 314.3414 6.2316999E-02 314.8235 0.1781160 315.3057 0.3819730 315.7878 2.5803000E-02 316.2699 1.187271 316.7520 2.303513 317.2341 2.632004 317.7162 2.352203 318.1984 1.747543 318.6805 0.6255950 319.1626 0.6266170 319.6447 1.432068 320.1268 1.776611 320.6089 1.739807 321.0911 1.037964 321.5732 6.0593002E-02 322.0553 0.6548770 322.5374 0.9586030 323.0195 1.047806 323.5016 1.076538 323.9838 1.043259 324.4659 1.025131 324.9480 0.9938350 325.4301 1.043701 325.9122 1.375717 326.3943 2.093109 326.8765 2.603470 327.3586 2.352036 327.8407 1.466995 328.3228 0.6459200 328.8049 2.4765000E-02 329.2870 0.4939270 329.7692 0.6052090 330.2513 0.4108890 330.7334 0.2647860 331.2155 0.5122830 331.6976 0.9138640 332.1797 0.7754670 332.6619 0.2091980 333.1440 1.072891 333.6261 0.6439510 334.1082 0.5531010 334.5903 1.262726 335.0724 0.8631130 335.5546 0.1054530 336.0367 1.163086 336.5188 2.358765 337.0009 3.035416 337.4830 2.460403 337.9651 1.200607 338.4473 0.3343350 338.9294 7.8766003E-02 339.4115 7.0618004E-02 339.8936 4.8553001E-02 340.3757 0.2209470 340.8578 8.7967001E-02 341.3400 1.420044 341.8221 2.973572 342.3042 3.503494 342.7863 2.853226 343.2684 2.026337 343.7505 1.391037 344.2327 0.9711610 344.7148 1.014389 345.1969 1.709564 345.6790 2.499039 346.1611 2.706573 346.6432 2.423462 347.1254 2.042557 347.6075 1.363831 348.0896 0.7877040 348.5717 1.060608 349.0538 2.283463 349.5359 3.270126 350.0181 2.901245 350.5002 1.523605 350.9823 0.8276060 351.4644 1.635300 351.9465 2.531265 352.4286 2.372986 352.9108 1.387329 353.3929 0.7222440 353.8750 1.087814 354.3571 1.961456 354.8392 1.935410 355.3214 0.4285740 355.8035 0.5590670 356.2856 0.1043700 356.7677 1.694031 357.2498 2.866623 357.7319 3.198532 358.2141 3.280792 358.6962 3.933182 359.1783 5.229355 359.6604 6.614075 360.1425 8.274902 360.6246 9.851257 361.1068 11.05157 361.5889 11.84262 362.0710 12.19943 362.5531 12.01683 363.0352 11.29953 363.5173 10.80881 363.9995 10.48029 364.4816 10.41000 364.9637 10.45032 365.4458 10.77289 365.9279 11.96904 366.4100 14.48047 366.8922 17.73965 367.3743 19.83461 367.8564 19.78378 368.3385 20.05746 368.8206 20.86151 369.3027 22.19295 369.7849 24.27573 370.2670 27.11345 370.7491 30.04391 371.2312 32.01605 371.7133 32.34044 372.1954 34.01213 372.6776 37.54005 373.1597 41.81841 373.6418 46.06940 374.1239 50.41653 374.6060 55.59717 375.0881 62.29501 375.5703 70.46036 376.0524 79.15021 376.5345 90.18024 377.0166 99.65924 377.4987 108.0862 377.9808 114.1259 378.4630 115.9138 378.9451 112.6155 379.4272 105.0957 379.9093 95.06616 380.3914 80.08313 380.8735 66.46605 381.3557 54.06699 381.8378 43.20222 382.3199 33.86273 382.8020 26.11963 383.2841 20.42358 383.7662 17.73038 384.2484 18.62964 384.7305 18.32486 385.2126 15.35835 385.6947 12.53101 386.1768 10.62267 386.6589 9.519150 387.1411 8.858490 387.6232 8.456787 388.1053 8.361008 388.5874 8.806259 389.0695 10.48572 389.5516 11.27242 390.0338 9.965164 390.5159 8.171478 390.9980 7.253845 391.4801 7.587051 391.9622 8.530960 392.4443 9.493317 392.9265 10.56128 393.4086 11.55373 393.8907 11.99432 394.3728 12.70668 394.8549 14.16603 395.3370 16.30585 395.8192 18.79909 396.3013 21.43436 396.7834 24.26962 397.2655 27.32240 397.7476 30.25476 398.2297 34.26257 398.7119 40.73714 399.1940 48.47908 399.6761 56.07169 400.1582 63.25444 400.6403 69.93640 401.1224 76.15007 401.6046 81.89594 402.0867 86.51901 402.5688 89.53094 403.0509 91.77121 403.5330 94.00882 404.0151 96.16420 404.4973 99.26794 404.9794 103.7115 405.4615 109.4823 405.9436 116.6966 406.4257 125.4221 406.9078 134.8031 407.3900 143.7990 407.8721 152.7799 408.3542 163.5967 408.8363 176.3437 409.3184 190.9749 409.8005 206.6777 410.2827 224.0258 410.7648 244.5064 411.2469 268.4378 411.7290 296.4435 412.2111 330.3441 412.6932 369.6721 413.1754 414.3825 413.6575 465.2829 414.1396 521.0706 414.6217 584.1937 415.1038 653.6400 415.5859 721.0342 416.0681 781.8744 416.5502 838.6284 417.0323 851.0356 417.5144 810.1875 417.9965 742.7465 418.4786 643.5804 418.9608 527.5944 419.4429 417.0082 419.9250 322.9308 420.4071 245.3078 420.8892 184.3127 421.3713 147.5479 421.8535 118.1262 422.3356 97.04379 422.8177 81.19225 423.2998 69.20215 423.7819 60.30925 424.2640 53.54152 424.7462 47.97498 425.2283 43.58920 425.7104 40.37247 426.1925 39.15511 426.6746 38.30409 427.1567 37.42192 427.6389 36.57910 428.1210 35.99242 428.6031 35.80547 429.0852 35.76016 429.5673 35.39285 430.0494 34.73508 430.5316 33.65315 431.0137 31.67616 431.4958 29.54898 431.9779 27.89386 432.4600 26.69264 432.9421 25.23590 433.4243 22.72841 433.9064 19.45625 434.3885 16.69479 434.8706 14.63068 435.3527 12.76134 435.8348 10.62195 436.3170 8.467178 436.7991 6.742294 437.2812 5.613907 437.7633 4.880081 438.2454 4.521042 438.7275 4.464081 439.2097 4.160904 439.6918 3.233734 440.1739 2.273056 440.6560 2.325989 441.1381 3.461517 441.6202 4.349030 442.1024 4.494278 442.5845 4.269821 443.0666 4.072906 443.5487 3.944199 444.0308 3.778503 444.5129 3.497116 444.9951 3.107819 445.4772 2.693909 445.9593 2.050995 446.4414 1.587311 446.9235 1.476395 447.4056 1.610245 447.8878 1.866943 448.3699 2.200714 448.8520 2.533508 449.3341 2.747910 449.8162 2.827652 450.2983 2.815506 450.7805 2.797440 451.2626 2.629883 451.7447 1.997208 452.2268 1.134338 452.7089 0.6863400 453.1910 1.162796 453.6732 2.233109 454.1553 2.450043 454.6374 1.153534 455.1195 0.1145630 455.6016 0.2169800 456.0837 0.3146060 456.5659 0.6109310 457.0480 1.173920 457.5301 1.681137 458.0122 1.802872 458.4943 1.544022 458.9764 1.069122 459.4586 5.8289999E-03 459.9407 0.6853490 460.4228 9.8297000E-02 460.9049 1.090851 461.3870 1.632050 461.8691 0.8891750 462.3513 0.3393860 462.8334 1.220978 463.3155 1.771851 463.7976 1.928787 464.2797 1.423035 464.7618 0.7174990 465.2440 0.3742830 465.7261 0.3948820 466.2082 0.4350590 466.6903 0.2605740 467.1724 0.1281280 467.6545 0.4254610 468.1367 1.134094 468.6188 1.769135 469.1009 1.989090 469.5830 1.882797 470.0651 1.797318 470.5472 1.700287 471.0294 1.618622 471.5115 1.494110 471.9936 1.433151 472.4757 1.625061 472.9578 2.098648 473.4399 2.621033 473.9221 2.941940 474.4042 3.089676 474.8863 2.840454 475.3684 1.654480 475.8505 0.6833650 476.3326 0.4812320 476.8148 0.7629700 477.2969 0.9770360 477.7790 0.8483730 478.2611 0.6413420 478.7432 0.9869380 479.2253 2.183380 479.7075 3.082184 480.1896 3.598053 480.6717 3.748444 481.1538 3.297974 481.6359 2.411102 482.1180 1.677307 482.6002 1.538528 483.0823 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