#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:25:57 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1084 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100040.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_8100040 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 R040096 _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 R040096.rod _rod_data_source.block 3500000 _rod_database.code 8100040 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 149.4147 0.0000000E+00 149.8968 21.06128 150.3789 25.83447 150.8610 30.79468 151.3431 21.36157 151.8252 7.753418 152.3074 1.521729 152.7895 0.9016110 153.2716 21.14282 153.7537 40.45190 154.2358 60.89551 154.7179 77.57349 155.2001 85.64355 155.6822 83.03174 156.1643 72.50537 156.6464 61.74951 157.1285 47.81494 157.6106 37.30518 158.0928 29.66553 158.5749 26.01587 159.0570 28.96191 159.5391 41.30322 160.0212 61.54224 160.5033 72.04370 160.9855 64.68530 161.4676 57.44922 161.9497 57.33228 162.4318 64.23999 162.9139 68.53589 163.3960 69.49170 163.8782 67.61182 164.3603 65.65381 164.8424 63.98096 165.3245 60.69409 165.8066 50.86890 166.2887 34.91675 166.7709 21.60767 167.2530 19.35669 167.7351 27.97461 168.2172 40.56128 168.6993 65.62158 169.1814 92.16968 169.6636 102.2417 170.1457 86.77100 170.6278 70.13989 171.1099 84.22705 171.5920 123.5239 172.0741 152.9199 172.5563 154.8376 173.0384 135.0625 173.5205 104.0007 174.0026 52.69214 174.4847 6.448975 174.9668 5.764160 175.4490 14.30347 175.9311 38.57837 176.4132 47.68335 176.8953 42.41675 177.3774 34.27930 177.8595 20.01465 178.3417 7.160645 178.8238 1.093994 179.3059 2.149658 179.7880 6.058838 180.2701 7.778076 180.7522 7.418457 181.2344 9.834961 181.7165 19.05444 182.1986 29.28979 182.6807 36.97290 183.1628 40.92041 183.6449 41.29785 184.1271 38.66113 184.6092 26.50317 185.0913 18.61743 185.5734 16.45532 186.0555 20.70850 186.5376 33.83398 187.0198 57.80957 187.5019 87.72168 187.9840 91.58423 188.4661 42.22876 188.9482 7.464844 189.4303 0.8759770 189.9125 5.633667 190.3946 13.67029 190.8767 16.53430 191.3588 15.82251 191.8409 19.33459 192.3230 38.34058 192.8052 48.54590 193.2873 37.03589 193.7694 14.49121 194.2515 0.2109380 194.7336 6.255127 195.2157 29.76270 195.6979 45.78992 196.1800 58.11841 196.6621 61.54761 197.1442 46.74927 197.6263 20.02881 198.1084 1.329102 198.5906 5.502930 199.0727 7.358765 199.5548 19.41797 200.0369 34.91052 200.5190 46.37463 201.0011 45.54590 201.4833 33.74780 201.9654 24.06604 202.4475 27.93811 202.9296 42.95312 203.4117 50.71448 203.8938 43.72705 204.3760 33.70044 204.8581 31.01941 205.3402 36.48511 205.8223 45.22021 206.3044 54.82129 206.7865 64.70740 207.2687 73.26685 207.7508 81.83813 208.2329 86.92407 208.7150 82.29260 209.1971 65.86047 209.6792 46.70166 210.1614 30.44495 210.6435 17.02075 211.1256 6.408081 211.6077 3.121338 212.0898 9.817017 212.5719 8.712280 213.0541 3.553101 213.5362 17.53223 214.0183 27.52673 214.5004 34.18835 214.9825 38.73303 215.4646 40.46277 215.9468 40.23584 216.4289 42.79700 216.9110 54.17651 217.3931 59.34778 217.8752 44.43787 218.3573 16.20056 218.8395 5.908203 219.3216 4.335327 219.8037 18.67114 220.2858 34.54944 220.7679 41.73328 221.2500 41.89856 221.7322 30.21265 222.2143 11.26648 222.6964 1.866089 223.1785 8.033813 223.6606 42.91748 224.1427 56.77527 224.6249 19.64075 225.1070 13.34729 225.5891 17.68469 226.0712 2.785889 226.5533 28.75098 227.0354 42.59631 227.5176 42.47241 227.9997 42.68738 228.4818 43.24377 228.9639 44.03674 229.4460 44.73645 229.9281 45.50037 230.4103 46.98193 230.8924 50.30835 231.3745 56.32446 231.8566 60.33667 232.3387 64.23096 232.8208 64.24963 233.3030 56.35876 233.7851 41.98022 234.2672 28.60950 234.7493 24.78345 235.2314 33.23022 235.7135 44.75208 236.1957 64.62646 236.6778 78.42456 237.1599 78.94495 237.6420 67.25220 238.1241 50.86816 238.6062 37.66699 239.0884 26.51880 239.5705 24.20691 240.0526 35.80066 240.5347 49.23291 241.0168 58.22852 241.4989 62.15247 241.9811 64.32117 242.4632 68.79370 242.9453 77.35889 243.4274 82.56470 243.9095 88.30823 244.3916 88.56250 244.8738 73.19714 245.3559 43.84192 245.8380 17.01843 246.3201 12.35107 246.8022 37.40979 247.2843 63.31567 247.7665 94.34436 248.2486 123.6960 248.7307 152.2716 249.2128 177.9614 249.6949 188.1322 250.1770 164.6694 250.6592 90.34619 251.1413 42.89050 251.6234 36.52002 252.1055 45.45386 252.5876 56.05981 253.0697 64.82922 253.5519 67.45679 254.0340 56.12000 254.5161 23.39429 254.9982 8.034668 255.4803 23.89136 255.9624 47.31042 256.4445 60.74792 256.9267 62.57202 257.4088 59.95911 257.8909 58.71606 258.3730 59.25012 258.8551 62.84033 259.3372 77.10962 259.8194 89.51013 260.3015 86.93005 260.7836 68.69519 261.2657 48.38647 261.7478 38.94788 262.2299 42.35132 262.7121 46.39893 263.1942 55.51660 263.6763 62.36438 264.1584 57.44031 264.6405 40.60608 265.1227 25.10229 265.6048 23.21741 266.0869 36.43457 266.5690 50.57886 267.0511 72.44641 267.5332 90.55054 268.0154 92.34167 268.4975 77.64917 268.9796 60.54358 269.4617 52.91895 269.9438 55.01831 270.4259 53.55408 270.9081 44.11658 271.3902 34.36572 271.8723 29.49487 272.3544 27.85754 272.8365 28.95935 273.3186 31.32288 273.8008 35.02454 274.2829 39.23157 274.7650 45.38867 275.2471 50.54724 275.7292 52.31592 276.2113 50.66333 276.6935 46.17126 277.1756 37.88782 277.6577 28.43457 278.1398 28.28381 278.6219 51.55518 279.1040 72.72156 279.5862 70.34644 280.0683 46.88232 280.5504 23.22119 281.0325 11.73511 281.5146 11.64209 281.9967 14.82544 282.4789 22.26538 282.9610 31.07361 283.4431 44.06372 283.9252 60.94397 284.4073 68.96265 284.8894 58.21240 285.3716 35.37170 285.8537 22.17822 286.3358 22.28235 286.8179 28.28137 287.3000 39.04004 287.7821 53.49280 288.2643 61.94080 288.7464 58.12817 289.2285 46.96118 289.7106 41.38599 290.1927 44.57141 290.6748 47.16064 291.1570 46.34155 291.6391 41.63025 292.1212 29.20862 292.6033 2.913574 293.0854 25.17297 293.5675 28.59619 294.0497 1.028320 294.5318 27.93164 295.0139 37.27368 295.4960 33.47510 295.9781 24.66443 296.4602 11.16052 296.9424 1.568359 297.4245 2.486084 297.9066 9.615234 298.3887 22.99561 298.8708 37.23096 299.3529 49.70740 299.8351 54.81055 300.3172 50.05127 300.7993 41.23584 301.2814 35.76221 301.7635 33.39795 302.2456 33.52808 302.7278 40.73035 303.2099 48.63708 303.6920 46.19470 304.1741 30.38171 304.6562 13.60986 305.1383 11.25208 305.6205 24.17957 306.1026 32.93713 306.5847 31.10071 307.0668 26.00549 307.5489 25.61829 308.0310 30.94067 308.5132 37.33948 308.9953 41.67993 309.4774 43.64355 309.9595 39.68921 310.4416 19.38989 310.9237 0.3424070 311.4059 6.9214001E-02 311.8880 17.77075 312.3701 35.34338 312.8522 39.40491 313.3343 30.33862 313.8164 21.62415 314.2986 6.451904 314.7807 2.568237 315.2628 6.657349 315.7449 30.21252 316.2270 52.12891 316.7091 63.37415 317.1913 64.33618 317.6734 58.96655 318.1555 39.31897 318.6376 22.78821 319.1197 16.19397 319.6018 17.60681 320.0840 23.23291 320.5661 31.94519 321.0482 42.24695 321.5303 48.75171 322.0124 51.41541 322.4945 51.14600 322.9767 46.79944 323.4588 40.01575 323.9409 32.88391 324.4230 26.07581 324.9051 19.86731 325.3872 14.94080 325.8694 13.08765 326.3515 9.343872 326.8336 2.679932 327.3157 5.688599 327.7978 17.69983 328.2799 33.21960 328.7621 43.75549 329.2442 35.77087 329.7263 5.034790 330.2084 28.09644 330.6905 20.05432 331.1726 4.766602 331.6548 1.274536 332.1369 3.884521 332.6190 13.09924 333.1011 19.36389 333.5832 22.32971 334.0653 23.79224 334.5475 21.77222 335.0296 20.31409 335.5117 22.62708 335.9938 27.54468 336.4759 30.82300 336.9580 28.40491 337.4402 20.43970 337.9223 18.93591 338.4044 36.86304 338.8865 46.89685 339.3686 34.02881 339.8507 9.518677 340.3329 6.442017 340.8150 1.826416 341.2971 18.11328 341.7792 30.87280 342.2613 35.79175 342.7434 33.03430 343.2256 10.30811 343.7077 14.84106 344.1898 20.48730 344.6719 1.690308 345.1540 36.97656 345.6361 55.69214 346.1183 50.21033 346.6004 41.45398 347.0825 25.22485 347.5646 10.72107 348.0467 4.218872 348.5288 7.145264 349.0110 17.08142 349.4931 35.12390 349.9752 67.93665 350.4573 81.77136 350.9394 53.84436 351.4215 24.07593 351.9037 12.64331 352.3858 16.98914 352.8679 24.82849 353.3500 26.26978 353.8321 21.50513 354.3142 17.36658 354.7964 12.19080 355.2785 9.564819 355.7606 9.863525 356.2427 13.61450 356.7248 23.38782 357.2069 44.23279 357.6891 69.77197 358.1712 81.08618 358.6533 73.91235 359.1354 61.66479 359.6175 43.17944 360.0996 25.32104 360.5818 17.22534 361.0639 23.59326 361.5460 36.05652 362.0281 43.21118 362.5102 44.33203 362.9923 46.74329 363.4745 52.88354 363.9566 61.58093 364.4387 70.68835 364.9208 79.49658 365.4029 92.50610 365.8850 114.6765 366.3672 144.6046 366.8493 175.9116 367.3314 209.3726 367.8135 240.3217 368.2956 265.3901 368.7777 284.5763 369.2599 296.3661 369.7420 289.0138 370.2241 276.8892 370.7062 288.5145 371.1883 330.2300 371.6704 376.6072 372.1526 403.8229 372.6347 415.8816 373.1168 438.5684 373.5989 470.4401 374.0810 516.8582 374.5631 583.4062 375.0453 669.6929 375.5274 768.2354 376.0095 870.8406 376.4916 985.3398 376.9737 1140.942 377.4558 1355.454 377.9380 1585.780 378.4201 1873.674 378.9022 2161.579 379.3843 2338.411 379.8664 2360.826 380.3485 2250.038 380.8307 2039.459 381.3128 1654.073 381.7949 1305.666 382.2770 994.9329 382.7591 733.0820 383.2412 544.1627 383.7234 427.7780 384.2055 351.9956 384.6876 281.4269 385.1697 213.3279 385.6518 160.9403 386.1339 128.0752 386.6161 103.9733 387.0982 86.99573 387.5803 77.26929 388.0624 70.28625 388.5445 64.18591 389.0266 59.15405 389.5088 57.77637 389.9909 69.31506 390.4730 74.28003 390.9551 63.02832 391.4372 45.49158 391.9193 34.27246 392.4015 34.90796 392.8836 42.87256 393.3657 49.99866 393.8478 58.02197 394.3299 60.48303 394.8120 47.79724 395.2942 35.66724 395.7763 37.97302 396.2584 55.48804 396.7405 73.18689 397.2226 73.48962 397.7047 56.20459 398.1869 45.49170 398.6690 46.18274 399.1511 51.56152 399.6332 58.60425 400.1153 66.82153 400.5974 75.08374 401.0796 82.02734 401.5617 87.97949 402.0438 95.06262 402.5259 104.5098 403.0080 119.4886 403.4901 137.0299 403.9723 163.7081 404.4544 211.1554 404.9365 290.4629 405.4186 376.5858 405.9007 451.1893 406.3828 514.0881 406.8650 564.3242 407.3471 595.8372 407.8292 621.4795 408.3113 663.7780 408.7934 724.5730 409.2755 786.6716 409.7577 836.1719 410.2398 886.9026 410.7219 959.0132 411.2040 1055.931 411.6861 1163.532 412.1682 1262.883 412.6504 1350.104 413.1325 1484.196 413.6146 1650.334 414.0967 1873.817 414.5788 2167.941 415.0609 2532.008 415.5431 2972.719 416.0252 3504.233 416.5073 4099.668 416.9894 4641.178 417.4715 5320.277 417.9536 5707.292 418.4358 5689.068 418.9179 5391.117 419.4000 4894.617 419.8821 4240.450 420.3642 3519.911 420.8463 2855.322 421.3285 2226.659 421.8106 1722.554 422.2927 1388.639 422.7748 1133.323 423.2569 926.2329 423.7390 761.4351 424.2212 638.9424 424.7033 564.0151 425.1854 531.9086 425.6675 512.7418 426.1496 505.9592 426.6317 514.7937 427.1139 543.0107 427.5960 584.3523 428.0781 633.5383 428.5602 691.1929 429.0423 748.2876 429.5244 796.9613 430.0066 837.4379 430.4887 860.7063 430.9708 867.1968 431.4529 850.0940 431.9350 803.5121 432.4171 726.3207 432.8993 640.2839 433.3814 545.7593 433.8635 451.8702 434.3456 375.1455 434.8277 318.6614 435.3098 273.4620 435.7920 232.3684 436.2741 196.2319 436.7562 169.3063 437.2383 156.8746 437.7204 148.9832 438.2025 142.5880 438.6847 136.2062 439.1668 124.6769 439.6489 104.1379 440.1310 80.63794 440.6131 70.89453 441.0952 91.98950 441.5774 102.1926 442.0595 88.88232 442.5416 70.37598 443.0237 64.43054 443.5058 73.41760 443.9879 86.58960 444.4701 91.11755 444.9522 84.45300 445.4343 87.23853 445.9164 107.6128 446.3985 129.3705 446.8806 144.5657 447.3628 157.7692 447.8449 180.6943 448.3270 223.1178 448.8091 270.7834 449.2912 286.1041 449.7733 258.4387 450.2555 227.7107 450.7376 202.5927 451.2197 179.3496 451.7018 154.3306 452.1839 127.1786 452.6660 102.1615 453.1482 82.46460 453.6303 67.75842 454.1124 57.25525 454.5945 51.96008 455.0766 48.24377 455.5587 44.41052 456.0409 39.99219 456.5230 33.02881 457.0051 17.78772 457.4872 4.715820 457.9693 7.023804 458.4514 20.62561 458.9336 25.56226 459.4156 7.898560 459.8978 19.67627 460.3799 19.87500 460.8620 29.90173 461.3441 59.76001 461.8262 40.90381 462.3083 5.110840 462.7905 15.29199 463.2726 14.24292 463.7547 2.896240 464.2368 8.075195 464.7189 19.02295 465.2010 26.23083 465.6832 28.39221 466.1653 28.41406 466.6474 24.08801 467.1295 18.85120 467.6116 19.49243 468.0938 30.12573 468.5759 43.79236 469.0580 43.65845 469.5401 23.13379 470.0222 5.930420 470.5043 4.427002 470.9865 9.594971 471.4686 8.963013 471.9507 3.076538 472.4328 4.199829 472.9149 12.93713 473.3970 21.05725 473.8792 18.22815 474.3613 0.8314210 474.8434 15.41113 475.3255 8.269287 475.8076 11.60498 476.2897 27.10425 476.7719 38.56519 477.2540 41.34766 477.7361 23.72571 478.2182 6.142578 478.7003 21.64368 479.1824 11.71045 479.6646 9.046387 480.1467 17.21704 480.6288 6.325806 481.1109 3.775635 481.5930 20.23462 482.0751 38.16797 482.5573 44.17310 483.0394 39.69434 483.5215 34.02490 484.0036 32.99866 484.4857 35.95056 484.9678 35.55481 485.4500 29.56934 485.9321 22.94202 486.4142 14.46777 486.8963 6.687500 487.3784 2.384521 487.8605 2.135986 488.3427 3.599487 488.8248 3.192871 489.3069 0.6530760 489.7890 3.704956 490.2711 19.06580 490.7532 31.44983 491.2354 30.19800 491.7175 20.03931 492.1996 12.01111 492.6817 10.92871 493.1638 13.24292 493.6459 15.40186 494.1281 17.49243 494.6102 19.25427 495.0923 21.01990 495.5744 21.82227 496.0565 19.17993 496.5386 12.28088 497.0208 6.351807 497.5029 0.8074950 497.9850 2.233765 498.4671 0.8144530 498.9492 5.253906 499.4313 16.49670 499.9135 35.08057 500.3956 59.56262 500.8777 70.71143 501.3598 56.28906 501.8419 43.11389 502.3240 36.34570 502.8062 32.61450 503.2883 26.23621 503.7704 16.07300 504.2525 8.604370 504.7346 15.41565 505.2167 39.95398 505.6989 53.34473 506.1810 47.21411 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25.38940 533.6616 39.90015 534.1437 29.58960 534.6259 15.48608 535.1080 9.113770 535.5901 10.64880 536.0722 15.52234 536.5543 22.79395 537.0364 31.72583 537.5186 35.50989 538.0007 31.85352 538.4828 26.12061 538.9649 21.65698 539.4470 17.29260 539.9291 9.937378 540.4113 1.772827 540.8934 7.574585 541.3755 2.799072 541.8576 20.48157 542.3397 31.76697 542.8218 35.08740 543.3040 35.55005 543.7861 36.95618 544.2682 38.93921 544.7503 38.08228 545.2324 29.63965 545.7145 24.53027 546.1967 26.62170 546.6788 32.32153 547.1609 38.82874 547.6430 45.01782 548.1251 49.56860 548.6072 51.02026 549.0894 49.26343 549.5715 44.93518 550.0536 36.52881 550.5357 27.69238 551.0178 15.87500 551.4999 5.820435 551.9821 5.992554 552.4642 21.51660 552.9463 36.99060 553.4284 34.63306 553.9105 18.47046 554.3926 10.69006 554.8748 16.90552 555.3569 27.28235 555.8390 34.13342 556.3211 37.29993 556.8032 35.93701 557.2853 22.55383 557.7675 12.19043 558.2496 13.19128 558.7317 21.68872 559.2138 32.31909 559.6959 42.91797 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