#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:28:43 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1129 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100051.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_8100051 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 R110117 _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 R110117.rod _rod_data_source.block 3500000 _rod_database.code 8100051 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 151.3860 0.0000000E+00 151.8681 3.297424 152.3502 3.655487 152.8323 0.4234310 153.3145 0.8286130 153.7966 1.475616 154.2787 1.129700 154.7608 0.1290280 155.2429 0.7742310 155.7250 1.283325 156.2072 1.459595 156.6893 1.294373 157.1714 1.015015 157.6535 0.2847900 158.1356 0.8856200 158.6177 2.563843 159.0999 5.035950 159.5820 8.661499 160.0641 13.66510 160.5462 18.36346 161.0283 22.58075 161.5104 26.58173 161.9926 30.34637 162.4747 33.87164 162.9568 37.70728 163.4389 42.48224 163.9210 48.16687 164.4031 53.93707 164.8853 59.54510 165.3674 65.18921 165.8495 70.95648 166.3316 76.79462 166.8137 83.04242 167.2958 90.43048 167.7780 98.65344 168.2601 106.4361 168.7422 112.8787 169.2243 118.3136 169.7064 123.8474 170.1885 129.1608 170.6707 135.2247 171.1528 142.9935 171.6349 152.1130 172.1170 161.1819 172.5991 169.0135 173.0812 175.5462 173.5634 182.1486 174.0455 188.4537 174.5276 195.2792 175.0097 203.2559 175.4918 212.2261 175.9739 221.3721 176.4561 229.8054 176.9382 237.5416 177.4203 244.6447 177.9024 251.0179 178.3845 256.9089 178.8666 262.2706 179.3488 267.1483 179.8309 271.7875 180.3130 276.3969 180.7951 280.7418 181.2772 285.5597 181.7593 292.0590 182.2415 298.2097 182.7236 302.0787 183.2057 303.3539 183.6878 303.6814 184.1699 305.5989 184.6520 310.4659 185.1342 314.2900 185.6163 316.5060 186.0984 317.8630 186.5805 319.3376 187.0626 321.2668 187.5447 322.8271 188.0269 322.3474 188.5090 319.4836 188.9911 316.5262 189.4732 313.8851 189.9553 311.4815 190.4374 309.3767 190.9196 307.7831 191.4017 305.9711 191.8838 302.7454 192.3659 298.1102 192.8480 293.1951 193.3301 288.4544 193.8123 283.8359 194.2944 279.1767 194.7765 274.6563 195.2586 269.7858 195.7407 264.0740 196.2228 257.5228 196.7050 250.7816 197.1871 244.3099 197.6692 238.0977 198.1513 231.8040 198.6334 224.9651 199.1155 218.3926 199.5977 212.8549 200.0798 208.3224 200.5619 203.8607 201.0440 198.4538 201.5261 191.9033 202.0082 185.5165 202.4904 178.3168 202.9725 172.1407 203.4546 168.6086 203.9367 167.6157 204.4188 167.1374 204.9009 164.4487 205.3831 158.4688 205.8652 153.6185 206.3473 150.6141 206.8294 148.2395 207.3115 146.1140 207.7936 144.0429 208.2758 141.7343 208.7579 138.5932 209.2400 132.6687 209.7221 128.8044 210.2042 127.7366 210.6863 127.8065 211.1685 128.3449 211.6506 129.0156 212.1327 129.4547 212.6148 129.0497 213.0969 126.8150 213.5790 125.8971 214.0612 127.0005 214.5433 128.8791 215.0254 130.4439 215.5075 131.4662 215.9896 132.6398 216.4717 134.9263 216.9539 138.6535 217.4360 143.0265 217.9181 148.3644 218.4002 154.1821 218.8823 160.2001 219.3644 166.3389 219.8466 172.3063 220.3287 177.5075 220.8108 181.7140 221.2929 186.6300 221.7750 193.0842 222.2571 200.1422 222.7393 206.4742 223.2214 211.6821 223.7035 216.8566 224.1856 223.9026 224.6677 232.6616 225.1498 240.1174 225.6320 244.4596 226.1141 247.2720 226.5962 251.1388 227.0783 256.5945 227.5604 262.7811 228.0425 269.3772 228.5247 276.1747 229.0068 282.2297 229.4889 287.0735 229.9710 290.8840 230.4531 293.8566 230.9352 295.5229 231.4174 297.3519 231.8995 300.5685 232.3816 304.8152 232.8637 309.2006 233.3458 312.9630 233.8279 316.4963 234.3101 321.2414 234.7922 327.6752 235.2743 334.6426 235.7564 341.5136 236.2385 348.3746 236.7206 355.5075 237.2028 363.5516 237.6849 372.0687 238.1670 379.1531 238.6491 384.0049 239.1312 388.3679 239.6133 393.0410 240.0955 397.7056 240.5776 401.8762 241.0597 405.0545 241.5418 407.5587 242.0239 411.1028 242.5060 417.7892 242.9882 422.6427 243.4703 424.0689 243.9524 422.9119 244.4345 420.2607 244.9166 416.5084 245.3987 411.8695 245.8809 407.6688 246.3630 404.8855 246.8451 401.3846 247.3272 396.0847 247.8093 389.9853 248.2914 384.5393 248.7736 380.5843 249.2557 377.5956 249.7378 373.4857 250.2199 367.1366 250.7020 360.9339 251.1841 355.3820 251.6663 350.4229 252.1484 346.0826 252.6305 342.2917 253.1126 338.5541 253.5947 333.2471 254.0768 324.8029 254.5590 316.6982 255.0411 309.5002 255.5232 302.7058 256.0053 295.5235 256.4874 287.6400 256.9695 279.4644 257.4517 271.9906 257.9338 265.4447 258.4159 259.4632 258.8980 254.2737 259.3801 249.5748 259.8622 245.0442 260.3444 240.5631 260.8265 236.1017 261.3086 231.6078 261.7907 226.8643 262.2728 222.3941 262.7549 218.1684 263.2371 214.2323 263.7192 210.7801 264.2013 207.8293 264.6834 204.9915 265.1655 201.7454 265.6476 198.2631 266.1298 193.7665 266.6119 187.2632 267.0940 180.2632 267.5761 174.2015 268.0582 169.3260 268.5403 164.9972 269.0225 160.3837 269.5046 155.2773 269.9867 151.2065 270.4688 149.3338 270.9509 147.8312 271.4330 144.7563 271.9152 139.9813 272.3973 135.3897 272.8794 132.8852 273.3615 132.6790 273.8436 132.2585 274.3257 131.6258 274.8079 130.7262 275.2900 129.1400 275.7721 126.9483 276.2542 125.4163 276.7363 125.7683 277.2184 127.7833 277.7006 128.9154 278.1827 128.2747 278.6648 127.4467 279.1469 127.9429 279.6290 129.5421 280.1111 130.3557 280.5933 129.0606 281.0754 126.1037 281.5575 123.4955 282.0396 121.8928 282.5217 119.8606 283.0038 116.2963 283.4860 111.4280 283.9681 106.4882 284.4502 102.2876 284.9323 98.07861 285.4144 92.33359 285.8965 84.52948 286.3787 76.56512 286.8608 69.27722 287.3429 62.65308 287.8250 56.51682 288.3071 50.79211 288.7892 45.61813 289.2714 41.36026 289.7535 38.18707 290.2356 34.59909 290.7177 29.38089 291.1998 23.19589 291.6819 17.73572 292.1641 13.41345 292.6462 9.827972 293.1283 6.678558 293.6104 3.916809 294.0925 1.141022 294.5746 1.995483 295.0568 5.212830 295.5389 8.035004 296.0210 10.49164 296.5031 12.29355 296.9852 12.87747 297.4673 12.58063 297.9495 12.19312 298.4316 11.65198 298.9137 11.28558 299.3958 11.78519 299.8779 13.36169 300.3600 14.85379 300.8422 15.65201 301.3243 15.80383 301.8064 15.21030 302.2885 13.34341 302.7706 11.20264 303.2527 10.00693 303.7349 9.813477 304.2170 9.672729 304.6991 9.199402 305.1812 8.482666 305.6633 7.677185 306.1454 6.851410 306.6276 5.809235 307.1097 3.855530 307.5918 1.108795 308.0739 0.2000730 308.5560 1.729004 309.0381 4.512848 309.5203 5.445038 310.0024 4.347443 310.4845 2.606720 310.9666 0.7649230 311.4487 1.054779 311.9308 2.113892 312.4130 1.861938 312.8951 1.379089 313.3772 1.695679 313.8593 2.704651 314.3414 3.737366 314.8235 4.672516 315.3057 5.380890 315.7878 5.451965 316.2699 4.653778 316.7520 3.682922 317.2341 2.876495 317.7162 2.276703 318.1984 2.053833 318.6805 2.542480 319.1626 3.321716 319.6447 3.628357 320.1268 3.332611 320.6089 3.229340 321.0911 4.050262 321.5732 5.278534 322.0553 6.213898 322.5374 6.701019 323.0195 6.897797 323.5016 6.850616 323.9838 6.559113 324.4659 6.383911 324.9480 6.443878 325.4301 6.720123 325.9122 7.158478 326.3943 7.768616 326.8765 8.517151 327.3586 9.267365 327.8407 10.09265 328.3228 11.45828 328.8049 13.78137 329.2870 16.24561 329.7692 17.85355 330.2513 18.68741 330.7334 19.77228 331.2155 21.55051 331.6976 23.92972 332.1797 26.88126 332.6619 30.67294 333.1440 34.27197 333.6261 36.46579 334.1082 37.77927 334.5903 39.46939 335.0724 41.74564 335.5546 44.65811 336.0367 48.44946 336.5188 53.16980 337.0009 58.07999 337.4830 63.15503 337.9651 68.00015 338.4473 71.84048 338.9294 74.29721 339.4115 76.20267 339.8936 78.23248 340.3757 80.32751 340.8578 81.94769 341.3400 82.87524 341.8221 83.22037 342.3042 83.38434 342.7863 83.51605 343.2684 82.79199 343.7505 80.34311 344.2327 76.75653 344.7148 73.64801 345.1969 71.66742 345.6790 69.38458 346.1611 64.28992 346.6432 56.89478 347.1254 50.80600 347.6075 47.91217 348.0896 46.36740 348.5717 43.53589 349.0538 39.10846 349.5359 35.73318 350.0181 36.08707 350.5002 39.22794 350.9823 40.58954 351.4644 38.13129 351.9465 35.28177 352.4286 34.39249 352.9108 35.11069 353.3929 35.80862 353.8750 35.68628 354.3571 35.14444 354.8392 35.17853 355.3214 36.03705 355.8035 36.97241 356.2856 37.54523 356.7677 38.03790 357.2498 39.08496 357.7319 40.91858 358.2141 42.73352 358.6962 43.47156 359.1783 43.06311 359.6604 42.41327 360.1425 41.00781 360.6246 39.93652 361.1068 40.54950 361.5889 42.78931 362.0710 44.86615 362.5531 45.26550 363.0352 44.00043 363.5173 43.01593 363.9995 42.05438 364.4816 41.61615 364.9637 42.02765 365.4458 43.25507 365.9279 45.15210 366.4100 47.61414 366.8922 50.16266 367.3743 51.41559 367.8564 50.30255 368.3385 49.84723 368.8206 50.81653 369.3027 52.47815 369.7849 53.92743 370.2670 54.85327 370.7491 55.56873 371.2312 56.53925 371.7133 57.78687 372.1954 59.37390 372.6776 61.04242 373.1597 63.19104 373.6418 66.11456 374.1239 69.74341 374.6060 73.78473 375.0881 78.05566 375.5703 82.55713 376.0524 87.73438 376.5345 95.01025 377.0166 101.4489 377.4987 107.2225 377.9808 111.5025 378.4630 113.3315 378.9451 112.2993 379.4272 108.5776 379.9093 102.3897 380.3914 92.08508 380.8735 81.80487 381.3557 70.44275 381.8378 60.01813 382.3199 52.19434 382.8020 47.04370 383.2841 43.30670 383.7662 39.57404 384.2484 35.67645 384.7305 32.87811 385.2126 32.31287 385.6947 31.77979 386.1768 30.41608 386.6589 28.56604 387.1411 27.01697 387.6232 26.26172 388.1053 26.11365 388.5874 25.89587 389.0695 25.46893 389.5516 25.24561 390.0338 25.31647 390.5159 25.60669 390.9980 26.11896 391.4801 26.85242 391.9622 27.60193 392.4443 28.20111 392.9265 28.67743 393.4086 28.71149 393.8907 27.51038 394.3728 26.58929 394.8549 27.00232 395.3370 28.51129 395.8192 30.07837 396.3013 30.87836 396.7834 31.23920 397.2655 32.36469 397.7476 34.62683 398.2297 36.67468 398.7119 37.27344 399.1940 37.39276 399.6761 38.40405 400.1582 41.00049 400.6403 43.78754 401.1224 45.06122 401.6046 44.94983 402.0867 45.40894 402.5688 47.09204 403.0509 49.55164 403.5330 52.30957 404.0151 55.37201 404.4973 58.34113 404.9794 60.70221 405.4615 62.95300 405.9436 66.11542 406.4257 70.37378 406.9078 74.79266 407.3900 78.47192 407.8721 81.60638 408.3542 85.29834 408.8363 89.23755 409.3184 94.09106 409.8005 99.80743 410.2827 106.6854 410.7648 115.5193 411.2469 126.5103 411.7290 139.8874 412.2111 156.2274 412.6932 174.4626 413.1754 197.3563 413.6575 224.9649 414.1396 257.6216 414.6217 298.3485 415.1038 346.6910 415.5859 396.3107 416.0681 443.5132 416.5502 489.9816 417.0323 509.0567 417.5144 500.8145 417.9965 470.4678 418.4786 407.5547 418.9608 325.5196 419.4429 245.7363 419.9250 178.8568 420.4071 124.8430 420.8892 83.85675 421.3713 61.79675 421.8535 45.54004 422.3356 36.63745 422.8177 31.38971 423.2998 27.34790 423.7819 24.00012 424.2640 22.03192 424.7462 22.34009 425.2283 25.08069 425.7104 27.80487 426.1925 30.12427 426.6746 32.87256 427.1567 36.50879 427.6389 40.67505 428.1210 45.10492 428.6031 49.89520 429.0852 54.00092 429.5673 55.11957 430.0494 52.70642 430.5316 49.32233 431.0137 45.04578 431.4958 40.29108 431.9779 34.94696 432.4600 29.13885 432.9421 23.86871 433.4243 20.01129 433.9064 17.36584 434.3885 15.04608 434.8706 13.09814 435.3527 11.34406 435.8348 9.285950 436.3170 7.293701 436.7991 6.123840 437.2812 6.066772 437.7633 6.769409 438.2454 8.276062 438.7275 10.45142 439.2097 12.18140 439.6918 12.93604 440.1739 13.28473 440.6560 14.03613 441.1381 15.18115 441.6202 16.52405 442.1024 18.30780 442.5845 20.09802 443.0666 21.24420 443.5487 21.73914 444.0308 22.24292 444.5129 23.15631 444.9951 24.51575 445.4772 26.59143 445.9593 29.39844 446.4414 32.76508 446.9235 37.76849 447.4056 42.97656 447.8878 46.37494 448.3699 47.27026 448.8520 46.11774 449.3341 43.48297 449.8162 38.88171 450.2983 34.07654 450.7805 28.06592 451.2626 22.80597 451.7447 19.39813 452.2268 17.61115 452.7089 16.60565 453.1910 15.85303 453.6732 15.40173 454.1553 15.51752 454.6374 16.60632 455.1195 17.58392 455.6016 18.59839 456.0837 19.28253 456.5659 18.90192 457.0480 17.45172 457.5301 16.24860 458.0122 16.71490 458.4943 18.82306 458.9764 21.16949 459.4586 24.15845 459.9407 26.68243 460.4228 27.65570 460.9049 27.90552 461.3870 29.04852 461.8691 32.16663 462.3513 35.58746 462.8334 36.73578 463.3155 35.67542 463.7976 35.57715 464.2797 38.03210 464.7618 41.15363 465.2440 42.26910 465.7261 41.33636 466.2082 41.01062 466.6903 42.46313 467.1724 44.85266 467.6545 47.27216 468.1367 49.63098 468.6188 52.03247 469.1009 54.57458 469.5830 57.18823 470.0651 59.58392 470.5472 61.83801 471.0294 63.80188 471.5115 65.69214 471.9936 67.16351 472.4757 67.51984 472.9578 66.66211 473.4399 65.61456 473.9221 65.82050 474.4042 67.89185 474.8863 67.55756 475.3684 63.29071 475.8505 58.53925 476.3326 53.95624 476.8148 49.89197 477.2969 46.89624 477.7790 45.28900 478.2611 44.35986 478.7432 42.44513 479.2253 38.79218 479.7075 36.33984 480.1896 37.14276 480.6717 37.80951 481.1538 35.88885 481.6359 31.90411 482.1180 28.57343 482.6002 28.27393 483.0823 29.79456 483.5644 29.61731 484.0465 27.41553 484.5286 24.69696 485.0107 21.71490 485.4929 18.77356 485.9750 16.31036 486.4571 14.50226 486.9392 12.58282 487.4213 9.766174 487.9034 6.544861 488.3856 4.091675 488.8677 2.614624 489.3498 1.545532 489.8319 0.5251460 490.3140 0.4821170 490.7961 1.693176 491.2783 3.141479 491.7604 4.771057 492.2425 7.191833 492.7246 9.652954 493.2067 10.72028 493.6888 9.889465 494.1710 7.931030 494.6531 5.960144 495.1352 3.921326 495.6173 2.011292 496.0994 0.3876950 496.5815 1.284119 497.0637 3.429260 497.5458 5.709045 498.0279 7.443542 498.5100 8.241516 498.9921 8.267395 499.4742 7.802429 499.9564 6.396423 500.4385 5.730408 500.9206 6.629456 501.4027 7.874512 501.8848 8.816528 502.3669 9.392456 502.8491 9.791016 503.3312 10.14478 503.8133 10.39148 504.2954 10.36810 504.7775 10.13464 505.2596 9.657532 505.7418 8.619934 506.2239 7.457642 506.7060 6.854248 507.1881 7.007019 507.6702 7.263245 508.1523 7.015259 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535.1509 23.82178 535.6330 24.15570 536.1151 23.10986 536.5972 21.48016 537.0793 21.49200 537.5615 23.60260 538.0436 25.29663 538.5257 25.88232 539.0078 25.77802 539.4899 25.29517 539.9720 24.41650 540.4542 23.14069 540.9363 21.04358 541.4184 18.85199 541.9005 17.59180 542.3826 17.27136 542.8647 17.44678 543.3469 18.14984 543.8290 18.88470 544.3111 18.27216 544.7932 15.77997 545.2753 13.48755 545.7574 11.60626 546.2396 10.06445 546.7217 8.910156 547.2038 8.037964 547.6859 7.206299 548.1680 6.242554 548.6501 5.177704 549.1323 4.135193 549.6144 2.989197 550.0965 2.064911 550.5786 1.447906 551.0607 1.002045 551.5428 0.7755430 552.0250 0.7133480 552.5071 0.5570070 552.9892 3.6773998E-02 553.4713 0.8299560 553.9534 1.031281 554.4355 0.5094910 554.9177 0.1599120 555.3998 0.4835820 555.8819 1.061493 556.3640 1.257446 556.8461 0.9925840 557.3282 0.9368590 557.8104 1.517609 558.2925 2.352112 558.7746 3.090027 559.2567 3.679230 559.7388 3.968872 560.2209 3.869995 560.7031 3.418915 561.1852 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