#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:29:34 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1142 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100055.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_8100055 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 X080005 _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 X080005.rod _rod_data_source.block 3500000 _rod_database.code 8100055 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 124.1566 0.0000000E+00 124.6387 0.6124730 125.1208 1.028996 125.6029 0.3146670 126.0850 1.8066000E-02 126.5672 0.3972510 127.0493 1.039078 127.5314 1.494652 128.0135 1.609192 128.4956 1.469406 128.9777 1.267807 129.4599 0.7582660 129.9420 0.4964870 130.4241 0.7962650 130.9062 1.329918 131.3883 1.617161 131.8704 1.386864 132.3526 0.7701840 132.8347 0.4851610 133.3168 0.7035290 133.7989 0.9788590 134.2810 1.228508 134.7632 1.435787 135.2453 1.468304 135.7274 1.158764 136.2095 0.7166370 136.6916 0.4359250 137.1737 0.4753110 137.6559 0.6685940 138.1380 0.7873000 138.6201 0.8226470 139.1022 0.8395080 139.5843 0.9411700 140.0664 1.072742 140.5486 1.113667 141.0307 0.9889110 141.5128 0.7676430 141.9949 0.6744960 142.4770 0.7543790 142.9591 0.8811720 143.4413 1.070831 143.9234 1.273685 144.4055 1.406227 144.8876 1.504005 145.3697 1.322445 145.8518 1.125854 146.3340 0.9247740 146.8161 0.7191010 147.2982 0.4164770 147.7803 6.6405997E-02 148.2624 0.1566540 148.7445 4.1412000E-02 149.2267 0.5325470 149.7088 0.9862020 150.1909 1.400021 150.6730 1.630508 151.1551 1.642101 151.6372 1.456337 152.1194 1.258228 152.6015 1.382870 153.0836 1.847412 153.5657 1.952473 154.0478 1.397762 154.5299 0.6505890 155.0121 0.1861310 155.4942 0.1206470 155.9763 0.2329180 156.4584 0.3492240 156.9405 0.4681780 157.4226 0.6130330 157.9048 0.8785210 158.3869 1.172642 158.8690 1.268169 159.3511 1.019508 159.8332 0.6979980 160.3153 0.6373210 160.7975 0.8379670 161.2796 1.070045 161.7617 1.183434 162.2438 1.188736 162.7259 1.224686 163.2081 1.471977 163.6902 1.622253 164.1723 1.318180 164.6544 0.5332830 165.1365 0.2012790 165.6186 0.2068060 166.1008 0.7324750 166.5829 1.442074 167.0650 1.673229 167.5471 1.663933 168.0292 1.470055 168.5113 1.114399 168.9935 0.6998600 169.4756 0.3866810 169.9577 0.1759800 170.4398 7.6964997E-02 170.9219 0.1215630 171.4040 0.2381400 171.8862 0.3886030 172.3683 0.5555310 172.8504 0.7156520 173.3325 0.8158000 173.8146 0.8989940 174.2967 0.8490030 174.7789 0.5062980 175.2610 7.9975002E-02 175.7431 0.1750560 176.2252 0.1426730 176.7073 9.7607002E-02 177.1894 0.2879180 177.6716 0.3837360 178.1537 0.4909440 178.6358 0.7388880 179.1179 1.008762 179.6000 1.017101 180.0821 0.5454290 180.5643 0.1718830 181.0464 0.4016950 181.5285 9.2518002E-02 182.0106 0.6468580 182.4927 0.9513970 182.9748 1.030777 183.4570 0.9882240 183.9391 0.8331450 184.4212 0.6047130 184.9033 0.3668060 185.3854 8.1119999E-02 185.8675 0.1541710 186.3497 0.2343520 186.8318 0.1549610 187.3139 6.2550001E-02 187.7960 2.6455000E-02 188.2781 9.0939999E-03 188.7602 2.7184000E-02 189.2424 8.9954004E-02 189.7245 0.1729810 190.2066 0.2717860 190.6887 0.3895720 191.1708 0.5094870 191.6530 0.5841290 192.1351 0.6744610 192.6172 0.8816110 193.0993 1.270218 193.5814 1.673344 194.0635 1.705975 194.5457 1.106934 195.0278 0.6556820 195.5099 0.4915470 195.9920 0.5380360 196.4741 0.7762220 196.9562 1.209473 197.4384 1.729382 197.9205 2.023201 198.4026 1.981911 198.8847 1.826965 199.3668 1.471458 199.8489 1.066498 200.3311 0.7795260 200.8132 0.6963010 201.2953 0.7765960 201.7774 0.8619230 202.2595 1.028931 202.7416 1.111366 203.2238 1.040550 203.7059 0.8866460 204.1880 0.7350500 204.6701 0.6285320 205.1522 0.5692060 205.6343 0.5742450 206.1165 0.6883960 206.5986 0.8094750 207.0807 0.9447980 207.5628 1.062309 208.0449 1.121601 208.5270 1.104820 209.0092 1.013714 209.4913 0.8512690 209.9734 0.5395280 210.4555 0.2642210 210.9376 8.0200002E-02 211.4197 1.7601000E-02 211.9019 3.2223001E-02 212.3840 5.8127999E-02 212.8661 0.2075690 213.3482 0.2839470 213.8303 0.2176170 214.3124 0.2014270 214.7946 0.4208640 215.2767 0.8218150 215.7588 1.095806 216.2409 1.057816 216.7230 0.8368110 217.2052 0.6876600 217.6873 0.6133420 218.1694 0.6127430 218.6515 0.7395900 219.1336 0.9870220 219.6157 1.147152 220.0979 1.052647 220.5800 0.8867610 221.0621 0.8568120 221.5442 1.003914 222.0263 1.209301 222.5084 1.391800 222.9906 1.542431 223.4727 1.578728 223.9548 1.356770 224.4369 1.085476 224.9190 0.9450840 225.4011 0.9728200 225.8833 1.042839 226.3654 0.9708440 226.8475 0.6991000 227.3296 0.5581440 227.8117 0.7345050 228.2938 0.9894450 228.7760 1.202827 229.2581 1.346165 229.7402 1.430111 230.2223 1.474991 230.7044 1.496346 231.1865 1.422516 231.6687 1.048897 232.1508 0.7235260 232.6329 0.7210660 233.1150 1.063778 233.5971 1.506199 234.0792 1.748741 234.5614 1.782204 235.0435 1.662617 235.5256 1.208591 236.0077 0.7584150 236.4898 0.4956400 236.9719 0.4653360 237.4541 0.6288070 237.9362 0.9817090 238.4183 1.705368 238.9004 2.073189 239.3825 2.014080 239.8646 1.771275 240.3468 1.445988 240.8289 1.083355 241.3110 0.7407490 241.7931 0.4764820 242.2752 0.2751010 242.7573 0.2339900 243.2395 0.3728750 243.7216 0.6180040 244.2037 1.028442 244.6858 1.572411 245.1679 2.050186 245.6501 2.226387 246.1322 2.014774 246.6143 1.789406 247.0964 1.429649 247.5785 1.145218 248.0606 1.135998 248.5428 1.387836 249.0249 1.674683 249.5070 1.780659 249.9891 1.673668 250.4712 1.551208 250.9533 1.381424 251.4355 1.220203 251.9176 1.059650 252.3997 0.9174420 252.8818 0.9095610 253.3639 1.193764 253.8460 1.770702 254.3282 2.075249 254.8103 1.954353 255.2924 1.690578 255.7745 1.406166 256.2566 1.124363 256.7387 0.9483870 257.2209 0.9876170 257.7030 1.210335 258.1851 1.344757 258.6672 1.354103 259.1493 1.341129 259.6314 1.338833 260.1136 1.332508 260.5957 1.267117 261.0778 1.036858 261.5599 0.7423630 262.0420 0.6776810 262.5241 1.083538 263.0063 1.437649 263.4884 1.251534 263.9705 0.5970880 264.4526 0.1083640 264.9347 0.1471900 265.4168 0.5049930 265.8990 0.7357830 266.3811 0.7911570 266.8632 0.8167420 267.3453 0.9717330 267.8274 1.223789 268.3095 1.299839 268.7917 0.9720190 269.2738 0.5355530 269.7559 0.3965070 270.2380 0.6054760 270.7201 0.8794630 271.2022 1.055496 271.6844 1.140701 272.1665 1.155041 272.6486 1.035934 273.1307 0.9086420 273.6128 0.9254950 274.0949 1.087112 274.5771 1.231934 275.0592 1.261341 275.5413 1.184914 276.0234 1.048241 276.5055 0.7780570 276.9876 0.5591050 277.4698 0.5423930 277.9519 0.6932790 278.4340 0.8640440 278.9161 0.9460220 279.3982 0.9646870 279.8803 1.060032 280.3625 1.354668 280.8446 1.534878 281.3267 1.255043 281.8088 0.7215390 282.2909 0.4299960 282.7730 0.8386500 283.2552 1.685768 283.7373 2.067738 284.2194 1.759666 284.7015 1.392387 285.1836 1.240780 285.6658 1.232327 286.1479 1.276867 286.6300 1.381546 287.1121 1.470608 287.5942 1.341370 288.0764 0.8893200 288.5585 0.4630970 289.0406 0.1653750 289.5227 3.3333000E-02 290.0048 0.1567610 290.4869 0.2171060 290.9691 0.1981890 291.4512 4.3262001E-02 291.9333 0.3088070 292.4154 0.6017760 292.8975 0.8271750 293.3796 0.9366460 293.8618 0.8182600 294.3439 0.4448170 294.8260 4.3007001E-02 295.3081 0.1063650 295.7902 1.7128000E-02 296.2723 0.2953380 296.7545 0.9988100 297.2366 1.649334 297.7187 1.941936 298.2008 1.863205 298.6829 1.635708 299.1650 1.479198 299.6472 1.405224 300.1293 1.281445 300.6114 0.9125290 301.0935 0.6702730 301.5756 0.8734660 302.0577 1.397762 302.5399 1.781727 303.0220 1.592297 303.5041 0.8661040 303.9862 0.4308200 304.4683 0.5054170 304.9504 0.6418650 305.4326 0.7100940 305.9147 0.7167170 306.3968 0.6826250 306.8789 0.6054530 307.3610 0.5064200 307.8431 0.4830630 308.3253 0.5854840 308.8074 0.6893770 309.2895 0.8196030 309.7716 0.9121970 310.2537 0.8359680 310.7358 0.5034100 311.2180 0.1169820 311.7001 0.1987610 312.1822 1.100552 312.6643 1.683735 313.1464 1.553024 313.6285 1.164978 314.1107 0.8828770 314.5928 0.8045880 315.0749 0.7685280 315.5570 0.4811400 316.0391 0.2073520 316.5212 0.5938840 317.0034 0.3742520 317.4855 1.5675001E-02 317.9676 0.2940140 318.4497 0.5103990 318.9318 0.6268040 319.4139 0.5968930 319.8961 0.3976780 320.3782 0.2830700 320.8603 0.3461040 321.3424 0.4125820 321.8245 0.4008410 322.3066 0.3354950 322.7888 0.2901150 323.2709 0.3198320 323.7530 0.4155430 324.2351 0.5173800 324.7172 0.6330800 325.1993 0.7442780 325.6815 0.9084590 326.1636 1.050022 326.6457 1.051319 327.1278 0.8373070 327.6099 0.4958880 328.0920 0.2446400 328.5742 6.7893997E-02 329.0563 4.4495001E-02 329.5384 0.1132130 330.0205 0.1210020 330.5026 5.9739999E-03 330.9847 0.2583050 331.4669 0.5389370 331.9490 0.6264840 332.4311 0.4563060 332.9132 0.2547840 333.3953 8.4141001E-02 333.8774 0.3475420 334.3596 0.3786430 334.8417 0.1870650 335.3238 7.2903000E-02 335.8059 0.2713810 336.2880 0.4083290 336.7701 0.5348820 337.2523 0.7131840 337.7344 0.8032230 338.2165 0.6754420 338.6986 0.4135020 339.1807 0.2049670 339.6628 0.1539080 340.1450 0.2469860 340.6271 0.4832080 341.1092 1.051098 341.5913 1.383595 342.0735 1.042736 342.5556 0.4504050 343.0377 0.1502910 343.5198 0.3962780 344.0019 0.8523060 344.4840 0.9396130 344.9662 0.5533220 345.4483 0.2630390 345.9304 0.3182530 346.4125 0.4923900 346.8946 0.6569290 347.3767 0.7898220 347.8589 0.8824350 348.3410 0.9339980 348.8231 0.9497450 349.3052 0.9399680 349.7873 0.8942380 350.2694 0.8147470 350.7516 0.6678240 351.2337 0.4796910 351.7158 0.3596650 352.1979 0.4153180 352.6800 0.5906070 353.1621 0.6998060 353.6443 0.7342950 354.1264 0.7453270 354.6085 0.7602310 355.0906 0.7741470 355.5727 0.7764050 356.0548 0.7513120 356.5370 0.7281040 357.0191 0.7950100 357.5012 0.9734840 357.9833 0.9936100 358.4654 0.5395130 358.9475 8.6249998E-03 359.4297 0.1526640 359.9118 0.2261240 360.3939 0.6439290 360.8760 0.6919020 361.3581 0.4496080 361.8402 0.3379860 362.3224 0.5050050 362.8045 0.7493740 363.2866 0.8202970 363.7687 0.7409550 364.2508 0.7628670 364.7329 1.128315 365.2151 1.613335 365.6972 1.829807 366.1793 1.722992 366.6614 1.485001 367.1435 1.203594 367.6256 0.9004750 368.1078 0.6438450 368.5899 0.4165310 369.0720 0.2580680 369.5541 0.1934780 370.0362 0.2243580 370.5183 0.3800930 371.0005 0.7275240 371.4826 1.162395 371.9647 1.451504 372.4468 1.568508 372.9289 1.628452 373.4110 1.611961 373.8932 1.565079 374.3753 1.589382 374.8574 1.753517 375.3395 2.028622 375.8216 2.379536 376.3037 2.820477 376.7859 3.170494 377.2680 3.250290 377.7501 3.342846 378.2322 3.806568 378.7143 4.602020 379.1964 5.274879 379.6786 5.506939 380.1607 5.302605 380.6428 4.856972 381.1249 3.957287 381.6070 3.093399 382.0891 2.396183 382.5713 1.858936 383.0534 1.499916 383.5355 1.338356 384.0176 1.256882 384.4997 0.9878960 384.9818 0.2178190 385.4640 0.2143860 385.9461 1.3138000E-02 386.4282 0.3971750 386.9103 0.4960590 387.3924 0.2540630 387.8745 0.1116870 388.3567 0.3954430 388.8388 0.6299440 389.3209 0.5588460 389.8030 0.1786800 390.2851 0.8036540 390.7672 0.9341660 391.2494 0.7204320 391.7315 0.5149270 392.2136 0.5481950 392.6957 0.7538990 393.1778 0.8193510 393.6599 0.5426290 394.1421 0.3749540 394.6242 0.4201350 395.1063 0.5464210 395.5884 0.6091610 396.0706 0.5836330 396.5527 0.5898670 397.0348 0.8018990 397.5169 1.272003 397.9990 1.737755 398.4811 2.136120 398.9633 2.584450 399.4454 3.188938 399.9275 3.888401 400.4096 4.546013 400.8917 5.084919 401.3738 5.497314 401.8560 5.709568 402.3381 5.573788 402.8202 5.519783 403.3023 5.683880 403.7844 5.981144 404.2665 6.363739 404.7487 6.826962 405.2308 7.262020 405.7129 7.483402 406.1950 7.474552 406.6771 7.580746 407.1592 7.820477 407.6414 8.252655 408.1235 8.959846 408.6056 9.902622 409.0877 10.87505 409.5698 11.63407 410.0519 12.35246 410.5341 13.37659 411.0162 14.64920 411.4983 16.45534 411.9804 18.78677 412.4625 21.84567 412.9446 26.00804 413.4268 31.31876 413.9089 37.76717 414.3910 45.06033 414.8731 53.36839 415.3552 63.69155 415.8373 76.73321 416.3195 91.29516 416.8016 107.4814 417.2837 126.1312 417.7658 138.1246 418.2479 141.4479 418.7300 136.6311 419.2122 121.3699 419.6943 96.04819 420.1764 69.95752 420.6585 49.75408 421.1406 35.45964 421.6227 24.87766 422.1049 19.20366 422.5870 15.33674 423.0691 12.68080 423.5512 10.91035 424.0333 9.482998 424.5154 8.173203 424.9976 7.081509 425.4797 6.450455 425.9618 6.488705 426.4439 6.629414 426.9260 6.813263 427.4081 7.140125 427.8903 7.792850 428.3724 8.698177 428.8545 9.557697 429.3366 10.12295 429.8187 10.37620 430.3008 10.54223 430.7830 10.85975 431.2651 10.82400 431.7472 10.15551 432.2293 9.163517 432.7114 8.208416 433.1935 7.426189 433.6757 6.717743 434.1578 5.915806 434.6399 4.975319 435.1220 4.107403 435.6041 3.236916 436.0862 2.529854 436.5684 2.139812 437.0505 2.004345 437.5326 1.913174 438.0147 1.687523 438.4968 1.382172 438.9789 1.335209 439.4611 1.650066 439.9432 2.005413 440.4253 2.376259 440.9074 2.671589 441.3895 2.743824 441.8716 2.528698 442.3538 2.289631 442.8359 2.248638 443.3180 2.374557 443.8001 2.585373 444.2822 2.857445 444.7643 3.189106 445.2465 3.525467 445.7286 3.887440 446.2107 4.445538 446.6928 5.253426 447.1749 6.300407 447.6570 7.800083 448.1392 9.632080 448.6213 11.12845 449.1034 12.00448 449.5855 12.23398 450.0677 11.66845 450.5498 10.05158 451.0319 8.364105 451.5140 6.708179 451.9961 5.181793 452.4782 3.878502 452.9604 2.821407 453.4425 2.085087 453.9246 1.804459 454.4067 2.049183 454.8888 2.008343 455.3709 1.442017 455.8531 0.9047430 456.3352 0.5513610 456.8173 0.3855360 457.2994 0.4009400 457.7815 0.5769690 458.2636 0.8238300 458.7458 0.9155770 459.2279 0.7603650 459.7100 0.6384850 460.1921 0.5169790 460.6742 0.4599150 461.1563 0.5373610 461.6385 0.7231100 462.1206 0.9222260 462.6027 1.073559 463.0848 1.175285 463.5669 1.199924 464.0490 1.071457 464.5312 1.022255 465.0133 1.319756 465.4954 1.634483 465.9775 1.549419 466.4596 0.9392320 466.9417 0.3284030 467.4239 0.2803540 467.9060 0.7058110 468.3881 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