#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:28:36 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1127 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100050.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_8100050 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 R110099 _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 R110099.rod _rod_data_source.block 3500000 _rod_database.code 8100050 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 152.3502 0.0000000E+00 152.8323 0.5524440 153.3145 0.5273480 153.7966 0.4844630 154.2787 0.3462830 154.7608 0.1869160 155.2429 0.1543050 155.7250 0.1974790 156.2072 0.4298520 156.6893 0.5115360 157.1714 0.2456050 157.6535 0.2052270 158.1356 0.5988120 158.6177 1.102684 159.0999 1.927589 159.5820 2.191742 160.0641 2.037205 160.5462 1.956772 161.0283 2.199173 161.5104 2.353840 161.9926 1.975399 162.4747 1.048134 162.9568 9.7526997E-02 163.4389 8.6387999E-02 163.9210 0.4958610 164.4031 0.9171370 164.8853 0.5652390 165.3674 3.8601000E-02 165.8495 0.2193980 166.3316 0.1760860 166.8137 0.8220790 167.2958 1.571396 167.7780 2.393150 168.2601 2.959820 168.7422 3.248859 169.2243 3.067574 169.7064 2.907253 170.1885 3.011341 170.6707 3.020409 171.1528 2.578129 171.6349 1.797508 172.1170 1.145386 172.5991 1.137383 173.0812 1.847698 173.5634 2.261105 174.0455 2.132790 174.5276 1.834515 175.0097 1.276173 175.4918 0.5790630 175.9739 0.3653760 176.4561 0.6376610 176.9382 1.726017 177.4203 2.511303 177.9024 2.918640 178.3845 3.212425 178.8666 3.325832 179.3488 3.237377 179.8309 3.161564 180.3130 3.286686 180.7951 3.988228 181.2772 4.030518 181.7593 2.772976 182.2415 1.359329 182.7236 0.7559170 183.2057 1.148529 183.6878 1.868534 184.1699 1.865662 184.6520 0.4359280 185.1342 0.2680400 185.6163 0.2503930 186.0984 1.291832 186.5805 2.166489 187.0626 2.678085 187.5447 2.908222 188.0269 2.884277 188.5090 2.522755 188.9911 2.304497 189.4732 2.475353 189.9553 2.841217 190.4374 3.075684 190.9196 3.115189 191.4017 2.939228 191.8838 2.436729 192.3659 1.583981 192.8480 0.8249360 193.3301 0.3085060 193.8123 3.7967999E-02 194.2944 7.4332997E-02 194.7765 0.6399000 195.2586 1.258724 195.7407 1.405079 196.2228 1.070724 196.7050 0.7254070 197.1871 0.8590130 197.6692 0.5686146 198.1513 0.6352504 198.6334 0.5193180 199.1155 0.5694270 199.5977 0.9232860 200.0798 0.5133360 200.5619 0.1444700 201.0440 0.5900570 201.5261 0.8052600 202.0082 0.9416390 202.4904 1.069176 202.9725 1.080254 203.4546 0.7946400 203.9367 0.2442550 204.4188 0.2741470 204.9009 0.3160900 205.3831 0.4499090 205.8652 0.8525470 206.3473 0.5828170 206.8294 0.2878340 207.3115 0.3634990 207.7936 0.8526380 208.2758 1.500908 208.7579 1.958530 209.2400 2.168808 209.7221 2.286995 210.2042 2.301991 210.6863 2.270882 211.1685 2.244804 211.6506 2.240532 212.1327 2.266647 212.6148 2.345989 213.0969 2.576370 213.5790 2.641323 214.0612 2.408249 214.5433 2.102356 215.0254 1.938656 215.5075 1.959305 215.9896 1.981998 216.4717 1.718231 216.9539 0.9098090 217.4360 0.4480860 217.9181 0.5997960 218.4002 0.9783710 218.8823 1.193710 219.3644 1.150433 219.8466 1.042004 220.3287 1.154743 220.8108 1.542370 221.2929 1.796276 221.7750 1.659039 222.2571 1.456741 222.7393 1.737034 223.2214 2.679714 223.7035 3.642345 224.1856 3.703075 224.6677 2.932060 225.1498 2.271168 225.6320 2.028534 226.1141 2.024014 226.5962 1.920509 227.0783 1.597744 227.5604 1.378757 228.0425 1.776493 228.5247 2.627338 229.0068 3.239498 229.4889 3.131577 229.9710 2.611916 230.4531 2.374264 230.9352 2.533745 231.4174 2.895336 231.8995 3.505329 232.3816 4.222187 232.8637 4.619682 233.3458 4.307159 233.8279 3.494846 234.3101 2.890942 234.7922 2.628647 235.2743 2.399303 235.7564 1.854229 236.2385 1.202385 236.7206 0.8921130 237.2028 1.366955 237.6849 2.399967 238.1670 2.989933 238.6491 2.815922 239.1312 2.659336 239.6133 2.943527 240.0955 3.447781 240.5776 3.797379 241.0597 3.737530 241.5418 3.364750 242.0239 3.156929 242.5060 3.278225 242.9882 3.297340 243.4703 3.113876 243.9524 2.806702 244.4345 2.505817 244.9166 2.286537 245.3987 2.130341 245.8809 1.942589 246.3630 1.515400 246.8451 1.350426 247.3272 1.815628 247.8093 2.512981 248.2914 2.890057 248.7736 2.625153 249.2557 1.914795 249.7378 1.561890 250.2199 1.828136 250.7020 2.157940 251.1841 2.706505 251.6663 3.199490 252.1484 3.206211 252.6305 2.509106 253.1126 1.452297 253.5947 1.136482 254.0768 2.635792 254.5590 3.611111 255.0411 3.770725 255.5232 3.408096 256.0053 2.766949 256.4874 1.949329 256.9695 1.018490 257.4517 0.2474020 257.9338 0.5086060 258.4159 0.7575720 258.8980 0.2066270 259.3801 0.6771970 259.8622 1.439224 260.3444 1.919701 260.8265 2.219406 261.3086 2.536274 261.7907 3.132652 262.2728 3.267811 262.7549 2.445755 263.2371 1.461243 263.7192 1.160610 264.2013 1.746845 264.6834 2.620041 265.1655 2.891506 265.6476 2.293560 266.1298 1.775326 266.6119 1.178082 267.0940 0.7596660 267.5761 0.9426000 268.0582 1.781315 268.5403 2.649044 269.0225 2.753311 269.5046 1.879005 269.9867 1.190266 270.4688 0.6522870 270.9509 0.3982430 271.4330 0.5287440 271.9152 1.030651 272.3973 1.754662 272.8794 2.625839 273.3615 3.674374 273.8436 4.544552 274.3257 5.586281 274.8079 6.194294 275.2900 5.588772 275.7721 3.834476 276.2542 2.190998 276.7363 1.633324 277.2184 2.097488 277.7006 2.376968 278.1827 2.341240 278.6648 2.224289 279.1469 2.181751 279.6290 2.223579 280.1111 2.263977 280.5933 2.146790 281.0754 1.994953 281.5575 2.175175 282.0396 2.850830 282.5217 3.611431 283.0038 4.317871 283.4860 4.972687 283.9681 5.368050 284.4502 5.314121 284.9323 5.011559 285.4144 4.907764 285.8965 5.093838 286.3787 5.311604 286.8608 5.345440 287.3429 5.255642 287.8250 5.313992 288.3071 5.697239 288.7892 6.139408 289.2714 6.264080 289.7535 6.060879 290.2356 5.731407 290.7177 5.267788 291.1998 4.745045 291.6819 4.354088 292.1641 4.137936 292.6462 4.066895 293.1283 4.126839 293.6104 4.303177 294.0925 4.531559 294.5746 4.756054 295.0568 5.025078 295.5389 5.506981 296.0210 6.330833 296.5031 7.032276 296.9852 7.074680 297.4673 6.658417 297.9495 6.285652 298.4316 6.058170 298.9137 5.990215 299.3958 6.197102 299.8779 6.758942 300.3600 7.212326 300.8422 7.180561 301.3243 6.834515 301.8064 6.422203 302.2885 5.871525 302.7706 5.392918 303.2527 5.334515 303.7349 5.735928 304.2170 5.972988 304.6991 5.542313 305.1812 4.877213 305.6633 4.622875 306.1454 5.027657 306.6276 5.424801 307.1097 5.169807 307.5918 4.299053 308.0739 3.394279 308.5560 2.459629 309.0381 1.769035 309.5203 1.669182 310.0024 2.220444 310.4845 2.813122 310.9666 3.029888 311.4487 2.931320 311.9308 2.808098 312.4130 2.684143 312.8951 2.593082 313.3772 2.600304 313.8593 2.685356 314.3414 2.707237 314.8235 2.591431 315.3057 2.358391 315.7878 1.973454 316.2699 1.342934 316.7520 0.9045070 317.2341 1.186707 317.7162 1.848808 318.1984 2.153732 318.6805 1.609070 319.1626 0.6615330 319.6447 1.3580000E-02 320.1268 0.3926580 320.6089 0.6187100 321.0911 0.7867700 321.5732 0.8393940 322.0553 0.6481360 322.5374 0.8613114 323.0195 0.5638500 323.5016 1.030979 323.9838 1.325554 324.4659 1.341022 324.9480 0.7674030 325.4301 8.2782999E-02 325.9122 4.6131000E-02 326.3943 0.5304260 326.8765 1.036076 327.3586 0.7703670 327.8407 1.085029 328.3228 0.7717170 328.8049 0.9996800 329.2870 0.9352950 329.7692 0.6512870 330.2513 0.1727560 330.7334 0.2070540 331.2155 0.1280860 331.6976 0.1319200 332.1797 0.2356950 332.6619 1.592243 333.1440 2.793537 333.6261 2.506557 334.1082 1.306732 334.5903 0.5465810 335.0724 1.181255 335.5546 2.199841 336.0367 2.149773 336.5188 0.9235690 337.0009 0.2731900 337.4830 0.7173310 337.9651 0.6778370 338.4473 0.6868020 338.9294 0.9010890 339.4115 1.012497 339.8936 0.6931460 340.3757 1.072370 340.8578 0.6791610 341.3400 1.334042 341.8221 1.741035 342.3042 1.508289 342.7863 0.5022430 343.2684 0.3657110 343.7505 0.5992580 344.2327 0.3685040 344.7148 5.3431999E-02 345.1969 0.2918780 345.6790 0.6378940 346.1611 1.021439 346.6432 1.426796 347.1254 1.600800 347.6075 1.227848 348.0896 0.7090720 348.5717 0.5258330 349.0538 0.7210580 349.5359 1.164413 350.0181 1.963234 350.5002 2.946217 350.9823 3.402081 351.4644 2.820610 351.9465 2.103043 352.4286 1.837009 352.9108 1.961815 353.3929 2.204922 353.8750 2.493805 354.3571 2.760647 354.8392 2.809242 355.3214 2.484238 355.8035 2.314709 356.2856 2.586227 356.7677 3.122894 357.2498 3.525322 357.7319 3.630878 358.2141 3.860199 358.6962 4.867939 359.1783 6.760704 359.6604 8.732204 360.1425 10.66711 360.6246 12.66858 361.1068 14.97819 361.5889 17.58318 362.0710 19.94141 362.5531 21.59229 363.0352 22.52212 363.5173 23.30169 363.9995 23.90482 364.4816 24.40506 364.9637 24.51374 365.4458 24.52349 365.9279 25.21570 366.4100 27.05729 366.8922 29.70733 367.3743 32.03709 367.8564 33.54026 368.3385 35.46042 368.8206 38.21158 369.3027 41.35538 369.7849 44.23707 370.2670 46.69353 370.7491 49.32010 371.2312 52.93954 371.7133 57.75133 372.1954 63.06794 372.6776 68.34021 373.1597 74.48618 373.6418 81.47360 374.1239 89.72577 374.6060 100.3641 375.0881 114.4879 375.5703 131.9996 376.0524 151.0435 376.5345 171.9611 377.0166 194.0637 377.4987 221.8423 377.9808 249.5704 378.4630 271.1800 378.9451 283.9366 379.4272 285.4810 379.9093 269.1383 380.3914 221.5965 380.8735 177.2896 381.3557 134.1100 381.8378 96.53644 382.3199 68.29667 382.8020 49.42227 383.2841 36.93572 383.7662 28.21347 384.2484 23.73553 384.7305 19.58645 385.2126 15.30119 385.6947 11.80534 386.1768 9.644920 386.6589 8.511196 387.1411 7.758404 387.6232 7.024742 388.1053 6.362526 388.5874 5.939339 389.0695 5.937351 389.5516 5.768276 390.0338 5.151741 390.5159 4.435787 390.9980 3.950371 391.4801 3.786171 391.9622 3.797497 392.4443 3.825550 392.9265 3.871006 393.4086 3.911747 393.8907 3.676247 394.3728 3.717686 394.8549 4.504673 395.3370 5.861397 395.8192 7.153316 396.3013 7.672127 396.7834 7.794476 397.2655 8.707321 397.7476 10.32520 398.2297 13.08030 398.7119 17.78117 399.1940 23.51578 399.6761 29.22753 400.1582 34.72923 400.6403 40.01595 401.1224 45.41574 401.6046 50.90046 402.0867 54.86193 402.5688 56.30184 403.0509 56.49714 403.5330 56.79873 404.0151 57.17970 404.4973 58.22929 404.9794 60.05794 405.4615 62.76235 405.9436 66.66250 406.4257 71.83953 406.9078 77.61829 407.3900 83.27436 407.8721 89.04176 408.3542 96.04197 408.8363 104.3348 409.3184 113.8779 409.8005 124.4999 410.2827 136.2957 410.7648 149.0182 411.2469 162.0228 411.7290 176.8825 412.2111 197.4093 412.6932 222.9912 413.1754 254.1247 413.6575 291.3498 414.1396 333.9417 414.6217 381.5734 415.1038 434.0133 415.5859 492.4983 416.0681 562.0446 416.5502 646.1328 417.0323 696.4601 417.5144 723.1416 417.9965 712.3795 418.4786 640.3212 418.9608 528.7565 419.4429 413.2983 419.9250 311.4839 420.4071 225.0046 420.8892 158.8941 421.3713 122.2071 421.8535 94.77789 422.3356 78.71481 422.8177 68.80779 423.2998 62.02454 423.7819 57.44327 424.2640 55.02647 424.7462 54.95445 425.2283 57.36289 425.7104 60.08924 426.1925 62.77177 426.6746 66.23993 427.1567 71.11422 427.6389 76.83389 428.1210 82.73397 428.6031 88.64938 429.0852 93.99668 429.5673 97.94057 430.0494 100.9710 430.5316 100.8282 431.0137 95.39277 431.4958 87.51110 431.9779 78.22017 432.4600 67.81335 432.9421 57.28915 433.4243 46.73316 433.9064 36.55803 434.3885 28.60346 434.8706 23.32214 435.3527 19.35644 435.8348 16.07923 436.3170 13.45090 436.7991 11.53362 437.2812 10.61141 437.7633 10.04346 438.2454 9.201721 438.7275 8.172771 439.2097 7.436495 439.6918 7.160406 440.1739 7.121302 440.6560 7.016283 441.1381 6.825333 441.6202 6.895590 442.1024 7.571907 442.5845 8.377605 443.0666 8.653778 443.5487 8.380146 444.0308 8.179922 444.5129 8.516582 444.9951 9.413181 445.4772 10.47768 445.9593 11.38605 446.4414 12.60844 446.9235 14.69867 447.4056 17.13063 447.8878 19.30382 448.3699 20.98810 448.8520 21.84774 449.3341 21.29108 449.8162 18.78466 450.2983 16.28913 450.7805 13.72052 451.2626 11.26208 451.7447 8.833057 452.2268 6.530592 452.7089 4.691101 453.1910 3.581539 453.6732 3.064331 454.1553 2.436655 454.6374 1.408924 455.1195 0.7301600 455.6016 0.8128930 456.0837 1.053158 456.5659 0.8596130 457.0480 0.8423787 457.5301 0.5261610 458.0122 0.6323470 458.4943 0.1790870 458.9764 0.2753960 459.4586 0.8639370 459.9407 1.216497 460.4228 0.9702400 460.9049 0.4121570 461.3870 7.0114002E-02 461.8691 0.2044890 462.3513 0.5041010 462.8334 0.5914440 463.3155 0.4744950 463.7976 0.3585910 464.2797 0.2982390 464.7618 0.2683390 465.2440 0.1841770 465.7261 3.5918999E-02 466.2082 9.6621998E-02 466.6903 0.6758160 467.1724 1.395628 467.6545 1.894293 468.1367 2.125019 468.6188 1.886097 469.1009 1.946335 469.5830 0.7293400 470.0651 1.429537 470.5472 0.5968590 471.0294 0.1417200 471.5115 0.3379570 471.9936 0.2295510 472.4757 4.3919001E-02 472.9578 0.1400240 473.4399 0.2101990 473.9221 1.4219000E-02 474.4042 0.6508960 474.8863 0.8713590 475.3684 0.1747860 475.8505 0.3543570 476.3326 7.8867003E-02 476.8148 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