#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:43:28 +0300 (Thu, 07 Jun 2018) $ #$Revision: 957 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100029.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_8100029 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 R110119 _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 R110119.rod _rod_data_source.block 3500000 _rod_database.code 8100029 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 186.4334 0.0000000E+00 186.9155 0.7478640 187.3976 0.6774290 187.8798 0.9580080 188.3619 2.026611 188.8440 3.022034 189.3261 3.757263 189.8082 6.013733 190.2903 7.138123 190.7725 7.339783 191.2546 7.462646 191.7367 6.590271 192.2188 3.815979 192.7009 0.6409910 193.1830 0.7246700 193.6652 0.2861330 194.1473 0.6421510 194.6294 1.642090 195.1115 2.662964 195.5936 2.856812 196.0757 1.885742 196.5579 0.5675050 197.0400 0.5616460 197.5221 1.954773 198.0042 3.654053 198.4863 5.270386 198.9684 6.804749 199.4506 7.639893 199.9327 7.450134 200.4148 6.898071 200.8969 7.556702 201.3790 9.630554 201.8611 11.87079 202.3433 13.67120 202.8254 15.04199 203.3075 15.85901 203.7896 15.91797 204.2717 15.57556 204.7538 15.91315 205.2360 17.19977 205.7181 18.13593 206.2002 17.67310 206.6823 15.48376 207.1644 13.95514 207.6465 13.28442 208.1287 13.36646 208.6108 14.16931 209.0929 16.12000 209.5750 17.60583 210.0571 17.45569 210.5392 15.31244 211.0214 13.22369 211.5035 11.25006 211.9856 9.501831 212.4677 8.313965 212.9498 7.782715 213.4319 7.637817 213.9140 7.875610 214.3962 8.766541 214.8783 9.052979 215.3604 8.405457 215.8425 7.113281 216.3246 6.418030 216.8067 6.637390 217.2889 6.822083 217.7710 6.093445 218.2531 3.580811 218.7352 2.859131 219.2173 5.012756 219.6994 9.194153 220.1816 11.21246 220.6637 10.28870 221.1458 8.599243 221.6279 7.438843 222.1100 6.873169 222.5921 6.625183 223.0743 6.761719 223.5564 7.205078 224.0385 7.672852 224.5206 8.383667 225.0027 8.785156 225.4848 8.364624 225.9670 6.413635 226.4491 5.460388 226.9312 6.156921 227.4133 8.036255 227.8954 8.940430 228.3775 8.385315 228.8597 7.561340 229.3418 7.175415 229.8239 7.369873 230.3060 7.685974 230.7881 8.323181 231.2702 9.071228 231.7524 8.820251 232.2345 6.950195 232.7166 4.931519 233.1987 3.610596 233.6808 3.137756 234.1629 2.999695 234.6451 3.215576 235.1272 3.735474 235.6093 4.429810 236.0914 5.593933 236.5735 6.572937 237.0556 6.982483 237.5378 6.583496 238.0199 5.702637 238.5020 3.995605 238.9841 1.821045 239.4662 0.6777340 239.9483 0.9545290 240.4305 2.061829 240.9126 3.507568 241.3947 5.791260 241.8768 6.999573 242.3589 6.679260 242.8410 5.254517 243.3232 4.116455 243.8053 2.981812 244.2874 2.564697 244.7695 3.200500 245.2516 5.178711 245.7337 7.657532 246.2159 11.44757 246.6980 15.60413 247.1801 16.83032 247.6622 13.51544 248.1443 9.692444 248.6264 7.279663 249.1086 6.757385 249.5907 6.457886 250.0728 6.414368 250.5549 6.545410 251.0370 6.720581 251.5191 7.353699 252.0013 7.649414 252.4834 7.098267 252.9655 5.101013 253.4476 3.855164 253.9297 3.549194 254.4118 3.908569 254.8940 4.427246 255.3761 5.402588 255.8582 6.209595 256.3403 6.295715 256.8224 5.289307 257.3046 4.385437 257.7867 3.530090 258.2688 2.842163 258.7509 2.628784 259.2330 3.117126 259.7151 3.635742 260.1973 3.731689 260.6794 3.211914 261.1615 3.456299 261.6436 4.989685 262.1257 6.835999 262.6078 7.114502 263.0900 5.011902 263.5721 3.337463 264.0542 3.408447 264.5363 5.769043 265.0184 6.453003 265.5005 4.949402 265.9827 2.522949 266.4648 0.9058840 266.9469 0.2227780 267.4290 3.6437999E-02 267.9111 0.2871700 268.3932 0.9906620 268.8754 1.815125 269.3575 2.866028 269.8396 3.846985 270.3217 4.277039 270.8038 4.095825 271.2859 4.105713 271.7681 4.533630 272.2502 5.297729 272.7323 5.424255 273.2144 4.715820 273.6965 3.874695 274.1786 3.633484 274.6608 4.105896 275.1429 4.627930 275.6250 4.926025 276.1071 5.076233 276.5892 5.287659 277.0714 5.578613 277.5535 5.877380 278.0356 6.121765 278.5177 6.339355 278.9998 6.301331 279.4819 5.860291 279.9641 5.141907 280.4462 4.719116 280.9283 4.624390 281.4104 4.673035 281.8925 4.933105 282.3746 5.421326 282.8568 5.096924 283.3389 3.414978 283.8210 1.135376 284.3031 0.7254640 284.7852 2.436340 285.2673 4.028259 285.7495 3.556152 286.2316 1.250732 286.7137 0.2769780 287.1958 0.5683590 287.6779 4.1443001E-02 288.1600 0.5687870 288.6422 1.361145 289.1243 2.135559 289.6064 2.716125 290.0885 3.202759 290.5706 3.639954 291.0527 4.090942 291.5349 4.298767 292.0170 3.692627 292.4991 2.332886 292.9812 0.9237060 293.4633 0.3261720 293.9454 1.320313 294.4276 1.730347 294.9097 1.534729 295.3918 0.7621460 295.8739 0.8426510 296.3560 3.106750 296.8381 5.288757 297.3203 7.077148 297.8024 8.514709 298.2845 9.755615 298.7666 10.82764 299.2487 11.50616 299.7308 11.58264 300.2130 11.09638 300.6951 10.14679 301.1772 8.276428 301.6593 6.212585 302.1414 5.090332 302.6235 4.897583 303.1057 4.908386 303.5878 4.330017 304.0699 3.548828 304.5520 3.309570 305.0341 4.168823 305.5162 5.383301 305.9984 6.401245 306.4805 7.176941 306.9626 7.469543 307.4447 6.906250 307.9268 5.817749 308.4089 4.570740 308.8911 3.013123 309.3732 1.706055 309.8553 1.178894 310.3374 1.300232 310.8195 1.626099 311.3016 2.533997 311.7838 3.202087 312.2659 2.632751 312.7480 8.8196002E-02 313.2301 2.328735 313.7122 2.080261 314.1943 0.2245480 314.6765 1.378235 315.1586 1.965698 315.6407 1.989014 316.1228 1.464111 316.6049 0.1020510 317.0870 0.5203860 317.5692 1.326782 318.0513 4.111877 318.5334 5.678406 319.0155 4.048706 319.4976 2.159424 319.9797 1.380432 320.4619 1.904114 320.9440 2.272400 321.4261 0.7288210 321.9082 0.6171880 322.3903 0.2432250 322.8724 7.889648 323.3546 13.58325 323.8367 14.15643 324.3188 9.764038 324.8009 6.006653 325.2830 3.902344 325.7651 2.679199 326.2473 1.846191 326.7294 2.230530 327.2115 2.018311 327.6936 0.4733890 328.1757 1.987549 328.6578 3.389526 329.1400 3.269897 329.6221 2.436035 330.1042 1.112610 330.5863 1.882446 331.0684 3.381836 331.5505 2.402527 332.0327 8.9844003E-02 332.5148 0.9589230 332.9969 0.2067260 333.4790 1.312256 333.9611 1.458984 334.4432 0.2009280 334.9254 0.2910160 335.4075 0.2789310 335.8896 1.329590 336.3717 2.081726 336.8538 2.439819 337.3359 2.675903 337.8180 2.809753 338.3001 2.845764 338.7823 3.123596 339.2644 3.858826 339.7465 4.436218 340.2286 4.091980 340.7107 2.633057 341.1928 1.526123 341.6750 1.188843 342.1571 1.391479 342.6392 1.065796 343.1213 4.9927000E-02 343.6034 0.6175540 344.0855 0.4348750 344.5677 3.025757 345.0498 3.637634 345.5319 1.220093 346.0140 2.201416 346.4961 2.239075 346.9782 0.9573970 347.4604 3.841858 347.9425 3.991455 348.4246 2.126343 348.9067 0.6776120 349.3888 0.2848510 349.8709 0.5457150 350.3531 0.7677000 350.8352 3.179443 351.3173 4.866577 351.7994 4.393738 352.2815 2.976013 352.7636 2.789368 353.2458 3.862427 353.7279 5.004639 354.2100 4.838623 354.6921 3.986145 355.1742 3.545898 355.6563 4.067505 356.1385 4.901306 356.6206 5.503784 357.1027 5.898987 357.5848 6.199585 358.0669 6.211731 358.5490 6.300232 359.0312 6.853455 359.5133 8.112305 359.9954 9.503235 360.4775 10.54932 360.9596 11.50494 361.4417 12.87903 361.9239 15.52820 362.4060 18.18127 362.8881 20.04688 363.3702 20.89062 363.8523 21.79572 364.3344 23.15063 364.8166 24.74170 365.2987 26.34070 365.7808 27.81445 366.2629 29.32446 366.7450 30.83588 367.2271 32.35199 367.7093 34.14697 368.1914 36.46246 368.6735 38.92426 369.1556 41.30286 369.6377 42.94519 370.1198 45.22125 370.6020 48.14398 371.0841 51.58252 371.5662 55.60181 372.0483 59.40125 372.5304 64.80408 373.0125 72.84875 373.4947 84.56012 373.9768 95.64618 374.4589 105.2858 374.9410 115.0416 375.4231 127.6132 375.9052 143.9072 376.3874 160.7017 376.8695 177.6713 377.3516 194.9415 377.8337 209.3917 378.3158 222.5464 378.7979 229.4894 379.2801 225.0002 379.7622 208.7961 380.2443 184.7501 380.7264 150.0923 381.2085 110.5701 381.6906 80.85645 382.1728 61.09302 382.6549 47.06317 383.1370 37.45972 383.6191 31.60327 384.1012 27.57013 384.5833 25.42194 385.0655 23.95923 385.5476 21.12207 386.0297 17.32800 386.5118 14.74689 386.9939 15.52240 387.4760 17.83368 387.9582 18.96265 388.4403 18.83838 388.9224 18.49219 389.4045 19.00757 389.8866 19.82324 390.3687 20.06091 390.8509 18.99982 391.3330 17.93903 391.8151 17.68488 392.2972 18.20789 392.7793 19.33978 393.2614 21.79584 393.7436 24.35004 394.2257 26.04895 394.7078 26.19958 395.1899 26.73468 395.6720 28.11731 396.1541 30.34296 396.6363 33.40912 397.1184 37.63171 397.6005 42.38898 398.0826 46.80664 398.5647 50.44489 399.0468 57.29596 399.5290 68.10925 400.0111 82.09564 400.4932 98.68719 400.9753 120.5493 401.4574 141.4904 401.9395 160.9905 402.4217 179.1318 402.9038 195.8666 403.3859 210.6111 403.8680 224.8382 404.3501 239.0983 404.8322 253.0481 405.3144 268.7207 405.7965 286.4975 406.2786 305.3147 406.7607 322.9013 407.2428 338.6804 407.7249 356.2961 408.2071 375.9125 408.6892 398.1125 409.1713 425.8209 409.6534 458.8082 410.1355 499.1364 410.6176 549.7168 411.0998 609.8842 411.5819 676.3232 412.0640 752.6315 412.5461 827.8860 413.0282 882.1959 413.5103 918.4163 413.9925 954.7220 414.4746 999.8559 414.9567 1052.923 415.4388 1119.109 415.9209 1202.546 416.4030 1270.721 416.8852 1308.935 417.3673 1312.357 417.8494 1273.881 418.3315 1176.512 418.8136 1048.318 419.2957 888.6374 419.7779 705.5571 420.2600 540.7404 420.7421 411.9681 421.2242 310.4041 421.7063 234.0110 422.1884 187.3500 422.6706 152.7693 423.1527 129.1712 423.6348 114.1072 424.1169 102.7526 424.5990 96.18152 425.0811 91.33472 425.5633 87.48010 426.0454 84.61011 426.5275 82.43127 427.0096 80.36200 427.4917 79.41656 427.9738 80.74225 428.4560 86.30225 428.9381 89.97217 429.4202 91.25848 429.9023 90.14508 430.3844 86.14203 430.8665 78.48059 431.3487 70.16998 431.8308 62.42065 432.3129 55.23828 432.7950 49.28137 433.2771 44.80957 433.7592 40.97449 434.2414 36.54175 434.7235 31.59106 435.2056 26.97455 435.6877 22.81305 436.1698 19.28467 436.6519 16.77783 437.1341 15.28632 437.6162 14.48596 438.0983 14.79913 438.5804 15.47955 439.0625 15.08765 439.5446 13.14368 440.0268 10.94013 440.5089 9.469666 440.9910 8.588257 441.4731 8.017761 441.9552 7.679932 442.4373 7.555786 442.9195 7.771240 443.4016 8.303040 443.8837 8.597046 444.3658 8.296265 444.8479 7.718628 445.3300 7.080261 445.8122 5.567200 446.2943 5.092041 446.7764 7.077393 447.2585 10.41071 447.7406 12.11377 448.2227 10.59460 448.7049 8.794739 449.1870 7.543579 449.6691 6.912720 450.1512 5.873535 450.6333 4.114075 451.1154 2.513184 451.5976 2.070923 452.0797 3.262878 452.5618 4.043518 453.0439 4.021240 453.5260 3.456299 454.0081 3.131714 454.4903 3.077576 454.9724 3.097351 455.4545 3.144409 455.9366 3.196106 456.4187 2.961670 456.9008 2.333740 457.3830 1.847229 457.8651 2.590027 458.3472 4.074219 458.8293 4.648926 459.3114 3.367432 459.7935 1.329895 460.2757 0.5614010 460.7578 2.157410 461.2399 2.750732 461.7220 0.8429570 462.2041 1.718872 462.6862 3.135132 463.1684 3.046936 463.6505 2.406860 464.1326 1.483337 464.6147 0.3757320 465.0968 0.8070070 465.5789 2.645935 466.0611 3.881592 466.5432 3.956543 467.0253 2.942200 467.5074 1.827515 467.9895 0.4752810 468.4716 0.7630000 468.9538 1.710510 469.4359 2.274353 469.9180 2.730164 470.4001 3.167725 470.8822 3.425293 471.3643 3.232727 471.8465 2.466980 472.3286 1.511597 472.8107 0.1456300 473.2928 1.361877 473.7749 1.105530 474.2570 1.252991 474.7392 3.568481 475.2213 3.963379 475.7034 2.745605 476.1855 2.079163 476.6676 2.245850 477.1497 2.830627 477.6319 3.582581 478.1140 4.306763 478.5961 4.569458 479.0782 3.716248 479.5603 2.603943 480.0424 2.409485 480.5246 2.980225 481.0067 3.443970 481.4888 3.165466 481.9709 2.702209 482.4530 2.586548 482.9352 3.191040 483.4173 3.446838 483.8994 2.525574 484.3815 1.064819 484.8636 5.2979000E-02 485.3457 0.1557010 485.8279 3.6986999E-02 486.3100 0.5181880 486.7921 1.505920 487.2742 1.938293 487.7563 1.220520 488.2384 0.5823360 488.7206 0.8193360 489.2027 2.532654 489.6848 3.512390 490.1669 3.585632 490.6490 3.094299 491.1311 2.325745 491.6133 1.128845 492.0954 0.7720340 492.5775 1.902039 493.0596 4.096313 493.5417 6.202637 494.0238 8.223511 494.5060 9.184143 494.9881 7.150879 495.4702 3.541260 495.9523 2.071533 496.4344 3.490112 496.9165 5.822205 497.3987 7.817017 497.8808 9.255127 498.3629 9.680481 498.8450 8.097656 499.3271 6.136475 499.8092 4.616272 500.2914 3.562073 500.7735 3.135498 501.2556 4.051147 501.7377 5.134094 502.2198 5.771423 502.7019 6.002563 503.1841 5.550537 503.6662 3.709961 504.1483 1.458313 504.6304 5.4504000E-02 505.1125 0.4667360 505.5946 0.7291260 506.0768 1.155334 506.5589 1.567932 507.0410 0.8148800 507.5231 1.668518 508.0052 3.705200 508.4873 3.655029 508.9695 1.482544 509.4516 1.130005 509.9337 2.920105 510.4158 5.246094 510.8979 6.501587 511.3800 6.756836 511.8622 6.176819 512.3443 4.414429 512.8264 2.427551 513.3085 1.303528 513.7906 0.9940190 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3.772644 540.7892 2.725037 541.2713 2.417969 541.7534 3.311279 542.2355 4.514526 542.7177 4.574463 543.1998 3.869385 543.6819 3.641235 544.1640 4.954224 544.6461 6.608459 545.1282 7.646301 545.6104 8.111694 546.0925 8.126953 546.5746 7.155457 547.0567 6.243469 547.5388 6.277344 548.0209 7.916321 548.5031 8.613525 548.9852 6.429199 549.4673 3.696411 549.9494 2.921143 550.4315 6.164612 550.9136 8.347473 551.3958 8.624207 551.8779 7.580078 552.3600 6.995300 552.8421 7.045654 553.3242 6.898376 553.8063 5.850586 554.2885 4.166870 554.7706 4.355835 555.2527 6.601379 555.7348 8.783508 556.2169 8.706665 556.6990 7.148682 557.1812 6.011108 557.6633 5.530151 558.1454 5.789734 558.6275 7.650208 559.1096 10.19775 559.5917 11.86096 560.0739 11.68921 560.5560 10.76227 561.0381 9.116272 561.5202 7.019592 562.0023 5.558594 562.4844 5.486694 562.9666 5.626038 563.4487 5.476929 563.9308 4.967712 564.4129 4.378296 564.8950 3.737610 565.3771 3.174194 565.8593 2.630371 566.3414 2.067078 566.8235 1.621399 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