#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:41:43 +0300 (Thu, 07 Jun 2018) $ #$Revision: 929 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100026.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_8100026 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 R060020 _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 R060020.rod _rod_data_source.block 3500000 _rod_database.code 8100026 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 130.0471 0.0000000E+00 130.5292 0.2977910 131.0113 1.041077 131.4935 2.068268 131.9756 2.465546 132.4577 1.538269 132.9398 0.1203920 133.4219 0.4390870 133.9040 2.316956 134.3862 4.251556 134.8683 4.216949 135.3504 2.374725 135.8325 0.9116210 136.3146 1.511414 136.7967 2.594238 137.2789 2.763916 137.7610 2.530457 138.2431 2.286652 138.7252 2.664612 139.2073 3.858856 139.6894 4.734131 140.1716 4.869598 140.6537 4.194336 141.1358 3.219971 141.6179 1.678162 142.1000 6.4788997E-02 142.5821 0.6507570 143.0643 0.2906800 143.5464 0.5649410 144.0285 1.865723 144.5106 4.096344 144.9927 5.393250 145.4748 5.346466 145.9570 4.435211 146.4391 4.077423 146.9212 4.692322 147.4033 5.521271 147.8854 5.870209 148.3675 5.288055 148.8497 5.059723 149.3318 5.665222 149.8139 6.528595 150.2960 6.926392 150.7781 6.636475 151.2602 6.079376 151.7424 5.625916 152.2245 4.685364 152.7066 3.973999 153.1887 3.910675 153.6708 4.448486 154.1529 4.711273 154.6351 4.218018 155.1172 3.634094 155.5993 3.436646 156.0814 4.265564 156.5635 4.803375 157.0456 4.883789 157.5278 4.117096 158.0099 3.465149 158.4920 3.584991 158.9741 3.940613 159.4562 4.119080 159.9383 3.970001 160.4205 3.754822 160.9026 3.570862 161.3847 3.576965 161.8668 3.446930 162.3489 3.017517 162.8310 2.478729 163.3132 1.870667 163.7953 0.9295040 164.2774 0.1922910 164.7595 5.7404000E-02 165.2416 0.2356260 165.7237 0.7351990 166.2059 1.708618 166.6880 2.721985 167.1701 3.116730 167.6522 1.587158 168.1343 1.8494001E-02 168.6164 0.1770320 169.0986 1.562195 169.5807 3.409424 170.0628 4.341614 170.5449 4.535309 171.0270 4.313354 171.5091 3.635742 171.9913 2.726471 172.4734 1.679260 172.9555 0.3680110 173.4376 0.6021420 173.9197 0.5668640 174.4018 0.2464900 174.8840 1.223602 175.3661 2.401184 175.8482 3.396698 176.3303 3.560944 176.8124 2.535309 177.2945 1.292267 177.7767 0.8735960 178.2588 1.148132 178.7409 1.582123 179.2230 2.045471 179.7051 2.414642 180.1872 2.297974 180.6694 1.308624 181.1515 0.4052120 181.6336 1.649261 182.1157 4.663239 182.5978 6.745941 183.0799 4.851044 183.5621 0.4978330 184.0442 2.006500 184.5263 1.306946 185.0084 0.8692630 185.4905 1.598663 185.9726 0.9225160 186.4547 7.1716003E-02 186.9369 0.1610110 187.4190 0.9386900 187.9011 1.342926 188.3832 0.9740910 188.8653 0.1713560 189.3474 0.4927370 189.8296 1.030029 190.3117 1.092621 190.7938 7.5836003E-02 191.2759 2.254456 191.7580 3.578369 192.2401 3.382111 192.7223 2.207764 193.2044 1.727783 193.6865 2.020386 194.1686 2.325439 194.6507 1.675171 195.1328 0.1335750 195.6150 0.7395940 196.0971 0.4402470 196.5792 0.7646180 197.0613 2.000031 197.5434 3.331085 198.0255 4.328278 198.5077 4.289734 198.9898 3.161682 199.4719 2.393890 199.9540 2.407318 200.4361 3.027893 200.9182 3.469971 201.4004 3.707825 201.8825 3.876343 202.3646 4.162384 202.8467 4.586121 203.3288 4.876556 203.8109 4.944092 204.2931 4.815643 204.7752 4.710358 205.2573 4.649506 205.7394 4.564301 206.2215 4.305969 206.7036 3.789673 207.1858 3.564392 207.6679 3.929443 208.1500 4.812897 208.6321 4.962952 209.1142 4.044983 209.5963 3.018738 210.0785 3.049408 210.5606 4.466217 211.0427 5.720245 211.5248 6.546509 212.0069 6.943298 212.4890 6.597168 212.9712 5.181335 213.4533 3.530365 213.9354 2.584351 214.4175 2.496887 214.8996 2.654053 215.3817 3.014404 215.8639 3.572083 216.3460 3.862183 216.8281 3.838043 217.3102 3.602356 217.7923 3.144836 218.2744 2.161957 218.7566 1.755737 219.2387 2.344940 219.7208 3.964661 220.2029 5.246490 220.6850 6.195587 221.1671 6.776154 221.6493 6.923889 222.1314 6.619049 222.6135 5.877747 223.0956 4.502441 223.5777 2.415100 224.0598 1.268921 224.5420 1.368774 225.0241 2.054749 225.5062 2.704132 225.9883 3.425781 226.4704 3.811340 226.9525 3.727875 227.4347 3.129303 227.9168 2.522858 228.3989 1.698975 228.8810 1.088135 229.3631 1.221375 229.8452 2.579071 230.3274 3.748718 230.8095 4.471649 231.2916 4.707428 231.7737 4.591492 232.2558 3.918335 232.7379 3.151062 233.2201 2.848694 233.7022 3.396454 234.1843 3.630432 234.6664 3.202118 235.1485 2.094879 235.6306 1.222107 236.1128 0.4020690 236.5949 1.7700000E-03 237.0770 0.4934690 237.5591 2.583191 238.0412 4.177765 238.5233 4.803864 239.0055 4.465027 239.4876 4.052643 239.9697 3.448395 240.4518 2.893799 240.9339 2.615326 241.4160 2.718536 241.8982 2.764008 242.3803 2.890350 242.8624 3.128632 243.3445 3.275085 243.8266 3.226501 244.3087 3.191925 244.7909 3.366455 245.2730 3.884338 245.7551 4.339600 246.2372 4.675720 246.7193 4.888977 247.2014 5.019897 247.6836 5.186005 248.1657 5.104309 248.6478 4.451111 249.1299 2.520447 249.6120 1.446869 250.0941 1.908020 250.5762 3.620636 251.0584 4.166046 251.5405 2.760010 252.0226 1.236603 252.5047 1.033844 252.9868 3.078918 253.4689 4.192505 253.9511 3.686310 254.4332 1.961700 254.9153 1.380737 255.3974 2.628174 255.8795 3.967712 256.3617 4.224701 256.8438 2.897491 257.3259 1.825195 257.8080 1.160034 258.2901 0.8523250 258.7722 0.6803280 259.2544 0.5503540 259.7365 0.7111510 260.2186 1.378418 260.7007 2.760315 261.1828 4.002319 261.6649 5.161102 262.1471 6.099640 262.6292 6.431641 263.1113 6.013733 263.5934 5.248077 264.0755 4.135193 264.5576 2.312164 265.0398 1.524200 265.5219 2.218384 266.0040 3.703308 266.4861 4.387939 266.9682 4.053101 267.4503 3.467590 267.9325 2.862946 268.4146 2.126221 268.8967 2.006836 269.3788 2.822388 269.8609 4.064728 270.3430 4.531799 270.8252 3.885895 271.3073 3.346100 271.7894 3.578491 272.2715 4.721283 272.7536 5.233795 273.2357 4.903015 273.7179 4.227356 274.2000 3.893372 274.6821 3.886475 275.1642 4.289063 275.6463 5.395599 276.1284 7.231720 276.6106 8.112244 277.0927 7.834045 277.5748 7.077576 278.0569 6.690857 278.5390 6.699860 279.0211 6.660858 279.5032 6.473328 279.9854 6.169525 280.4675 5.874268 280.9496 5.642975 281.4317 5.345642 281.9138 4.619781 282.3959 3.409973 282.8781 2.814270 283.3602 3.398407 283.8423 4.792908 284.3244 5.492310 284.8065 5.506775 285.2886 5.392181 285.7708 5.639832 286.2529 6.231842 286.7350 6.886322 287.2171 7.666534 287.6992 8.433990 288.1813 8.749329 288.6635 8.587280 289.1456 8.200989 289.6277 7.551178 290.1098 6.723389 290.5919 6.301636 291.0740 6.370026 291.5562 6.897278 292.0383 8.354584 292.5204 10.67300 293.0025 12.05292 293.4846 10.53909 293.9667 7.023682 294.4489 4.601715 294.9310 3.731140 295.4131 3.879089 295.8952 4.781799 296.3773 6.274231 296.8594 7.303162 297.3416 6.930603 297.8237 5.717926 298.3058 4.933563 298.7879 4.695923 299.2700 4.741211 299.7521 4.927856 300.2343 5.177979 300.7164 5.210907 301.1985 4.674194 301.6806 3.908173 302.1627 3.296265 302.6448 2.818420 303.1270 2.874512 303.6091 4.355103 304.0912 6.619598 304.5733 8.430969 305.0554 9.220703 305.5375 9.311829 306.0197 8.767303 306.5018 7.629486 306.9839 6.647308 307.4660 6.468018 307.9481 6.776428 308.4302 7.137238 308.9124 7.551483 309.3945 7.845367 309.8766 7.709106 310.3587 7.251160 310.8408 7.020752 311.3229 7.709686 311.8051 8.641479 312.2872 9.081055 312.7693 8.675476 313.2514 8.074310 313.7335 7.659729 314.2156 7.355011 314.6978 6.935760 315.1799 6.234802 315.6620 5.416656 316.1441 4.485535 316.6262 3.185059 317.1083 2.453400 317.5905 3.215515 318.0726 4.748047 318.5547 5.811554 319.0368 5.862366 319.5189 5.407227 320.0010 4.415070 320.4832 2.639465 320.9653 1.629974 321.4474 2.597504 321.9295 4.308685 322.4116 5.320923 322.8937 4.880249 323.3759 4.136292 323.8580 3.289856 324.3401 2.346741 324.8222 1.653076 325.3043 1.648010 325.7864 1.707825 326.2686 1.351318 326.7507 0.3682860 327.2328 1.510193 327.7149 1.589294 328.1970 0.7106320 328.6791 2.6860000E-03 329.1613 0.4824220 329.6434 0.8187870 330.1255 1.052429 330.6076 1.170044 331.0897 1.198730 331.5718 1.156921 332.0540 1.023010 332.5361 0.7407840 333.0182 0.2753910 333.5003 0.2922360 333.9824 1.014465 334.4645 2.143311 334.9467 2.605713 335.4288 2.084961 335.9109 1.117737 336.3930 0.5737300 336.8751 0.4902340 337.3572 0.7395630 337.8394 1.486328 338.3215 2.785828 338.8036 3.158752 339.2857 2.273315 339.7678 1.035706 340.2499 0.6108400 340.7321 1.279846 341.2142 1.069153 341.6963 0.9351810 342.1784 4.108521 342.6605 5.280273 343.1426 4.156860 343.6248 2.330383 344.1069 0.7755740 344.5890 0.4846800 345.0711 0.9882810 345.5532 0.5060420 346.0353 0.5380250 346.5175 1.183472 346.9996 1.448181 347.4817 1.903015 347.9638 3.278870 348.4459 5.190186 348.9280 6.138062 349.4102 5.902100 349.8923 5.166504 350.3744 4.494141 350.8565 3.973145 351.3386 3.953369 351.8207 5.108704 352.3029 6.700684 352.7850 7.462158 353.2671 7.381897 353.7492 7.091858 354.2313 7.073669 354.7134 7.235840 355.1956 7.432800 355.6777 7.684082 356.1598 7.883545 356.6419 7.722473 357.1240 7.328064 357.6061 7.367981 358.0883 8.640747 358.5704 10.36914 359.0525 11.70190 359.5346 12.15759 360.0167 12.80377 360.4988 14.43829 360.9810 16.70978 361.4631 18.83423 361.9452 20.32806 362.4273 21.68713 362.9094 22.82922 363.3915 23.37445 363.8737 25.46472 364.3558 32.34857 364.8379 40.27820 365.3200 44.83197 365.8021 42.00629 366.2842 38.64801 366.7664 36.00983 367.2485 34.13586 367.7306 34.47516 368.2127 39.88318 368.6948 45.90271 369.1769 49.62292 369.6591 47.49866 370.1412 47.36499 370.6233 50.50800 371.1054 56.05957 371.5875 60.65387 372.0696 62.84723 372.5518 65.76660 373.0339 70.73724 373.5160 78.18274 373.9981 86.58545 374.4802 96.17542 374.9623 106.6404 375.4445 117.5114 375.9266 129.2478 376.4087 140.4953 376.8908 151.4054 377.3729 161.9350 377.8550 169.7314 378.3372 175.8065 378.8193 176.2524 379.3014 165.5231 379.7835 143.0535 380.2656 119.2874 380.7477 94.64935 381.2299 71.39447 381.7120 55.57941 382.1941 47.41626 382.6762 42.16559 383.1583 37.27002 383.6404 32.81299 384.1226 29.39648 384.6047 27.14368 385.0868 25.44623 385.5689 23.58929 386.0510 21.76147 386.5331 20.40961 387.0153 20.23346 387.4974 20.40857 387.9795 19.49817 388.4616 17.49738 388.9437 15.79169 389.4258 15.67145 389.9080 16.47748 390.3901 17.28595 390.8722 17.93958 391.3543 18.32605 391.8364 18.37982 392.3185 18.06860 392.8007 17.42682 393.2828 15.76117 393.7649 14.32916 394.2470 14.09204 394.7291 15.57043 395.2112 17.06177 395.6934 17.57104 396.1755 17.72321 396.6576 18.56787 397.1397 20.09387 397.6218 22.74658 398.1039 26.98633 398.5861 32.91443 399.0682 38.45428 399.5503 43.87390 400.0324 48.60040 400.5145 52.20325 400.9966 53.68134 401.4788 55.50415 401.9609 58.05066 402.4430 61.04669 402.9251 63.48108 403.4072 64.71472 403.8893 66.55365 404.3714 69.85712 404.8535 75.04327 405.3357 79.91864 405.8178 84.06555 406.2999 88.36011 406.7820 94.25439 407.2641 102.1599 407.7462 110.0009 408.2284 116.5979 408.7105 122.3866 409.1926 129.9608 409.6747 139.2560 410.1568 150.8470 410.6389 164.9765 411.1211 181.6545 411.6032 201.6592 412.0853 225.2805 412.5674 252.2864 413.0495 283.8929 413.5316 319.7174 414.0138 356.8981 414.4959 395.9907 414.9780 435.2692 415.4601 475.9966 415.9422 519.5554 416.4243 548.5483 416.9065 551.7831 417.3886 530.8840 417.8707 487.7112 418.3528 403.4083 418.8349 315.5699 419.3170 243.3110 419.7992 185.5715 420.2813 140.6154 420.7634 110.6913 421.2455 89.90247 421.7276 74.98541 422.2097 66.93671 422.6919 60.66266 423.1740 54.76276 423.6561 49.85034 424.1382 46.74213 424.6203 46.91144 425.1024 47.62683 425.5846 48.29755 426.0667 48.89545 426.5488 49.74487 427.0309 51.02289 427.5130 52.41223 427.9951 53.78485 428.4773 55.53674 428.9594 56.45355 429.4415 56.59314 429.9236 55.79779 430.4057 53.39313 430.8878 48.91705 431.3700 44.30487 431.8521 40.44537 432.3342 37.34351 432.8163 33.86200 433.2984 29.83734 433.7805 26.02179 434.2627 23.17114 434.7448 21.27087 435.2269 20.35071 435.7090 21.01135 436.1911 22.02435 436.6732 20.50946 437.1554 16.74756 437.6375 13.05798 438.1196 10.88312 438.6017 9.805603 439.0838 9.169983 439.5659 8.890991 440.0481 9.085266 440.5302 10.28040 441.0123 11.95337 441.4944 13.22961 441.9765 13.49683 442.4586 13.50049 442.9408 13.51550 443.4229 13.56354 443.9050 13.87231 444.3871 14.80048 444.8692 15.90405 445.3513 16.89990 445.8335 17.76520 446.3156 18.48364 446.7977 19.39471 447.2798 20.09784 447.7619 19.85718 448.2440 17.39600 448.7262 15.40210 449.2083 14.80945 449.6904 15.69013 450.1725 15.00903 450.6546 11.78778 451.1367 8.374878 451.6189 6.726563 452.1010 7.440674 452.5831 7.558899 453.0652 6.687927 453.5473 5.188171 454.0294 3.681763 454.5116 2.128967 454.9937 1.194336 455.4758 1.533447 455.9579 2.764893 456.4400 3.012085 456.9221 2.231812 457.4043 1.214172 457.8864 0.6904300 458.3685 0.5446780 458.8506 0.4296260 459.3327 0.1954960 459.8148 5.0597999E-02 460.2970 0.2686770 460.7791 0.7944340 461.2612 1.426880 461.7433 2.345093 462.2254 3.147156 462.7076 3.567444 463.1897 3.618042 463.6718 3.008057 464.1539 0.5382080 464.6360 2.201599 465.1181 3.593933 465.6003 1.823975 466.0824 0.1625980 466.5645 0.4646000 467.0466 0.3002930 467.5287 0.2922360 468.0108 1.045410 468.4930 1.503967 468.9751 1.152222 469.4572 0.4035030 469.9393 1.340332 470.4214 1.547791 470.9035 1.245422 471.3857 0.6196290 471.8678 0.4172360 472.3499 1.562622 472.8320 3.033875 473.3141 4.482300 473.7962 4.484131 474.2784 2.848816 474.7605 1.186707 475.2426 0.4567260 475.7247 0.5444340 476.2068 0.7768550 476.6889 1.153503 477.1711 1.581726 477.6532 1.861511 478.1353 2.102844 478.6174 2.607971 479.0995 3.519104 479.5816 4.685486 480.0638 6.080627 480.5459 7.614624 481.0280 8.937378 481.5101 9.572815 481.9922 10.08270 482.4743 11.07581 482.9565 12.80347 483.4386 13.94360 483.9207 13.68866 484.4028 12.67474 484.8849 11.56335 485.3670 10.04388 485.8492 8.957520 486.3313 8.524109 486.8134 8.699097 487.2955 9.236145 487.7776 11.15362 488.2597 12.19653 488.7419 10.96442 489.2240 6.478760 489.7061 4.817444 490.1882 7.196594 490.6703 10.61237 491.1524 11.59509 491.6346 9.816406 492.1167 8.074707 492.5988 6.878235 493.0809 6.036621 493.5630 4.981934 494.0451 3.718872 494.5273 2.823425 495.0094 3.038574 495.4915 3.793335 495.9736 3.563171 496.4557 2.213684 496.9378 1.046021 497.4200 1.776672 497.9021 3.311951 498.3842 3.898743 498.8663 2.455017 499.3484 0.7657470 499.8305 0.1659550 500.3127 0.4617920 500.7948 0.4434200 501.2769 0.1142580 501.7590 0.6846310 502.2411 0.9016720 502.7232 0.6333010 503.2054 0.8217160 503.6875 2.513855 504.1696 4.107727 504.6517 4.367920 505.1338 2.334106 505.6159 0.6007690 506.0981 0.8220210 506.5802 1.811218 507.0623 1.874390 507.5444 0.5993650 508.0265 0.2526860 508.5086 0.2004390 508.9908 1.729126 509.4729 2.369080 509.9550 2.053284 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