#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:54:37 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1010 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100033.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_8100033 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 R100131 _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 R100131.rod _rod_data_source.block 3500000 _rod_database.code 8100033 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 157.0852 0.0000000E+00 157.5673 1.307396 158.0495 3.144409 158.5316 4.511848 159.0137 4.484680 159.4958 4.767525 159.9779 6.073364 160.4600 7.865158 160.9422 8.368637 161.4243 6.424858 161.9064 3.035515 162.3885 0.8543850 162.8706 1.808823 163.3527 2.909111 163.8349 2.872246 164.3170 1.892494 164.7991 0.9089430 165.2812 0.7019810 165.7633 1.663124 166.2454 0.7771380 166.7276 3.982666 167.2097 9.174400 167.6918 12.79742 168.1739 14.96762 168.6560 16.97105 169.1381 19.26785 169.6203 21.85269 170.1024 23.95515 170.5845 26.92453 171.0666 29.63961 171.5487 30.43876 172.0309 29.47488 172.5130 28.67916 172.9951 30.05661 173.4772 32.37459 173.9593 33.70976 174.4414 32.49426 174.9236 30.38428 175.4057 29.21451 175.8878 28.98730 176.3699 28.89896 176.8520 27.97961 177.3341 26.67708 177.8163 25.97468 178.2984 27.26746 178.7805 29.06919 179.2626 28.91917 179.7447 26.67372 180.2268 23.83092 180.7090 21.73492 181.1911 20.24738 181.6732 18.98194 182.1553 17.53564 182.6374 16.21637 183.1195 15.82607 183.6017 16.46468 184.0838 17.51838 184.5659 18.49734 185.0480 19.35911 185.5301 19.93584 186.0123 19.94685 186.4944 19.58498 186.9765 19.48951 187.4586 19.72747 187.9407 20.05982 188.4228 20.09319 188.9050 19.86039 189.3871 19.73447 189.8692 20.00883 190.3513 20.58280 190.8334 20.94707 191.3155 21.04118 191.7977 21.01534 192.2798 21.13696 192.7619 21.40690 193.2440 21.59770 193.7261 21.69765 194.2082 21.68105 194.6904 21.11771 195.1725 19.81944 195.6546 18.29555 196.1367 17.68395 196.6188 18.05984 197.1009 18.30441 197.5831 17.52161 198.0652 15.71304 198.5473 14.91513 199.0294 15.51878 199.5115 16.77861 199.9937 17.05931 200.4758 16.19954 200.9579 15.35784 201.4400 15.31770 201.9221 16.16672 202.4042 16.52596 202.8864 16.20152 203.3685 15.46394 203.8506 14.92326 204.3327 14.60043 204.8148 14.39500 205.2969 14.23789 205.7791 14.11132 206.2612 14.15432 206.7433 14.37507 207.2254 14.76715 207.7075 15.45584 208.1896 16.67253 208.6718 17.52168 209.1539 17.39157 209.6360 16.05599 210.1181 14.86948 210.6002 13.81657 211.0823 13.00272 211.5645 12.82291 212.0466 13.51454 212.5287 14.28598 213.0108 14.74267 213.4929 14.87328 213.9750 14.73019 214.4572 14.18071 214.9393 13.33196 215.4214 12.83514 215.9035 12.75370 216.3856 12.88379 216.8678 13.19554 217.3499 13.86906 217.8320 14.09514 218.3141 13.60454 218.7962 12.70273 219.2783 12.46306 219.7605 13.35802 220.2426 14.06057 220.7247 13.69905 221.2068 11.64079 221.6889 10.36452 222.1710 10.25847 222.6532 10.93749 223.1353 11.15746 223.6174 10.70594 224.0995 10.20192 224.5816 9.925774 225.0637 10.00326 225.5459 9.878296 226.0280 9.352615 226.5101 8.653999 226.9922 8.552116 227.4743 9.432594 227.9564 10.30255 228.4386 10.65727 228.9207 10.21926 229.4028 9.912094 229.8849 9.762154 230.3670 9.746086 230.8492 9.831299 231.3313 10.14733 231.8134 10.36506 232.2955 10.29305 232.7776 9.689522 233.2597 9.388657 233.7419 9.585999 234.2240 10.03982 234.7061 10.03427 235.1882 9.095810 235.6703 8.421555 236.1524 8.587112 236.6346 10.07694 237.1167 11.33034 237.5988 12.44598 238.0809 13.30104 238.5630 13.58799 239.0451 13.01566 239.5273 12.26832 240.0094 11.53212 240.4915 10.54037 240.9736 10.32931 241.4557 11.36025 241.9378 12.97378 242.4200 13.70164 242.9021 12.93832 243.3842 12.21872 243.8663 12.14666 244.3484 12.97652 244.8306 13.72112 245.3127 14.49323 245.7948 15.11566 246.2769 15.20219 246.7590 14.45564 247.2411 13.67898 247.7233 13.15851 248.2054 12.97933 248.6875 12.72093 249.1696 12.24531 249.6517 11.78596 250.1338 11.84195 250.6160 13.00859 251.0981 13.60387 251.5802 12.84196 252.0623 10.25109 252.5444 8.790421 253.0265 8.954697 253.5087 9.860672 253.9908 10.23299 254.4729 9.871445 254.9550 9.410172 255.4371 8.977333 255.9192 8.555748 256.4014 8.320694 256.8835 8.266724 257.3656 8.405289 257.8477 8.848854 258.3298 9.918999 258.8120 10.56621 259.2941 10.46938 259.7762 9.583733 260.2583 8.538933 260.7404 6.899872 261.2225 5.625137 261.7047 6.008636 262.1868 9.020851 262.6689 11.12730 263.1510 11.33849 263.6331 9.719414 264.1152 8.443802 264.5974 7.592567 265.0795 6.972900 265.5616 6.375893 266.0437 5.680946 266.5258 5.416618 267.0079 5.852448 267.4901 6.876030 267.9722 7.414162 268.4543 7.367798 268.9364 6.993912 269.4185 6.421829 269.9006 5.591232 270.3828 4.857590 270.8649 4.239075 271.3470 3.804199 271.8291 4.012848 272.3112 5.077759 272.7933 6.133087 273.2755 6.449142 273.7576 6.026917 274.2397 5.650192 274.7218 5.255035 275.2039 4.859467 275.6860 4.546776 276.1682 4.399773 276.6503 4.197433 277.1324 3.709969 277.6145 2.886047 278.0966 2.399269 278.5787 2.337151 279.0609 2.522278 279.5430 2.466377 280.0251 2.116669 280.5072 2.046776 280.9893 2.773674 281.4715 4.256340 281.9536 5.405716 282.4357 6.131897 282.9178 6.408585 283.3999 5.731224 283.8820 4.035110 284.3642 2.696434 284.8463 2.590683 285.3284 3.559883 285.8105 4.095947 286.2926 4.089226 286.7747 3.911385 287.2569 4.184120 287.7390 4.871368 288.2211 5.037903 288.7032 3.874313 289.1853 1.812279 289.6674 0.9361270 290.1496 1.439537 290.6317 2.285477 291.1138 2.222183 291.5959 1.352478 292.0780 0.5698170 292.5602 0.1736220 293.0423 0.1408620 293.5244 0.5154880 294.0065 1.322960 294.4886 1.912727 294.9707 1.427628 295.4529 0.1712950 295.9350 0.7444840 296.4171 0.9705050 296.8992 0.7659990 297.3813 0.4579320 297.8634 6.5932997E-02 298.3456 0.1995540 298.8277 7.0418999E-02 299.3098 0.5777970 299.7919 0.5908130 300.2740 0.2349550 300.7561 1.267380 301.2383 1.686523 301.7204 1.576767 302.2025 1.282669 302.6846 0.8382570 303.1667 0.4007110 303.6488 0.1985320 304.1310 0.2754210 304.6131 0.5674590 305.0952 1.244064 305.5773 2.120117 306.0594 2.693802 306.5415 2.317429 307.0237 1.697495 307.5058 1.744797 307.9879 2.663620 308.4700 3.404266 308.9521 2.938324 309.4343 1.768204 309.9164 0.7755890 310.3985 3.1890001E-03 310.8806 0.2252350 311.3627 0.7292330 311.8448 2.916595 312.3270 4.649765 312.8091 4.539810 313.2912 3.531830 313.7733 2.742645 314.2554 2.782227 314.7375 2.955002 315.2197 2.780121 315.7018 2.327026 316.1839 2.207779 316.6660 3.341782 317.1481 4.595047 317.6302 5.008392 318.1124 3.735565 318.5945 2.372986 319.0766 1.271332 319.5587 0.4631500 320.0408 3.6697000E-02 320.5229 0.3258510 321.0051 0.7891390 321.4872 1.124023 321.9693 1.195358 322.4514 1.295609 322.9335 1.677872 323.4156 2.114273 323.8978 2.165375 324.3799 1.290787 324.8620 0.4239350 325.3441 0.1034700 325.8262 0.1882320 326.3083 0.1721340 326.7905 0.1517490 327.2726 0.4887540 327.7547 0.4725950 328.2368 0.7414550 328.7189 1.436462 329.2010 0.8863830 329.6832 1.127258 330.1653 1.870483 330.6474 0.1651150 331.1295 1.962219 331.6116 2.835098 332.0938 1.457687 332.5759 0.4062960 333.0580 5.5861998E-02 333.5401 0.3228150 334.0222 0.6478880 334.5043 1.202805 334.9865 1.585007 335.4686 1.483429 335.9507 0.6037140 336.4328 3.3920001E-02 336.9149 0.1643370 337.3970 2.4383999E-02 337.8792 0.5330810 338.3613 1.846664 338.8434 2.646027 339.3255 2.067520 339.8076 0.1956790 340.2898 1.440598 340.7719 1.483002 341.2540 0.8539430 341.7361 0.1168370 342.2182 0.7868350 342.7003 1.130219 343.1825 0.4977110 343.6646 0.9651030 344.1467 2.401276 344.6288 3.910324 345.1109 4.955414 345.5930 4.838394 346.0752 3.648819 346.5573 2.262115 347.0394 0.6747740 347.5215 0.8075870 348.0036 1.530930 348.4857 1.496964 348.9679 0.9658360 349.4500 7.2600998E-02 349.9321 1.480209 350.4142 2.947754 350.8963 4.577255 351.3784 5.890030 351.8606 5.863876 352.3427 4.846024 352.8248 4.120392 353.3069 4.818039 353.7890 6.069702 354.2711 6.729752 354.7533 6.694916 355.2354 6.368958 355.7175 5.793274 356.1996 5.183411 356.6817 4.923126 357.1638 5.379868 357.6460 6.091095 358.1281 6.641174 358.6102 7.043671 359.0923 7.734634 359.5744 9.327118 360.0565 11.15889 360.5387 12.57068 361.0208 13.04125 361.5029 13.48775 361.9850 14.23352 362.4671 15.25804 362.9492 16.49274 363.4314 18.24208 363.9135 19.95711 364.3956 21.28519 364.8777 21.95982 365.3598 22.78923 365.8419 24.08313 366.3241 25.60358 366.8062 26.98492 367.2883 27.72702 367.7704 28.75763 368.2526 30.45032 368.7347 32.97273 369.2168 35.21954 369.6989 36.82202 370.1810 38.35681 370.6631 40.31355 371.1453 42.81165 371.6274 45.53888 372.1095 48.24844 372.5916 51.10680 373.0737 55.09839 373.5558 60.48384 374.0380 66.66084 374.5201 73.27599 375.0022 79.96744 375.4843 88.20865 375.9664 98.60162 376.4485 110.0751 376.9307 121.1423 377.4128 132.0133 377.8949 141.2560 378.3770 149.1481 378.8591 155.4647 379.3412 155.5981 379.8234 149.1701 380.3055 137.8921 380.7876 122.0522 381.2697 101.8500 381.7518 83.08429 382.2339 66.83257 382.7161 53.34402 383.1982 43.59209 383.6803 37.59576 384.1624 33.04428 384.6445 28.28763 385.1266 23.73550 385.6088 20.53595 386.0909 18.98927 386.5730 18.19487 387.0551 17.40323 387.5372 16.67525 388.0193 15.95253 388.5015 15.00301 388.9836 14.05852 389.4657 13.71263 389.9478 14.15428 390.4299 14.59796 390.9120 14.32201 391.3942 13.71065 391.8763 13.28079 392.3584 13.36882 392.8405 13.51532 393.3226 13.44283 393.8047 13.27631 394.2869 13.34222 394.7690 13.94307 395.2511 14.64464 395.7332 15.13004 396.2154 15.10310 396.6975 15.26924 397.1796 15.76784 397.6617 16.76231 398.1438 18.22379 398.6259 20.09775 399.1081 22.44302 399.5902 25.39088 400.0723 29.04094 400.5544 32.57755 401.0365 36.14117 401.5186 39.60793 402.0008 42.77046 402.4829 45.84122 402.9650 48.12627 403.4471 48.93120 403.9292 48.90182 404.4113 50.87315 404.8935 55.48868 405.3756 60.52130 405.8577 64.91216 406.3398 68.56680 406.8219 72.29106 407.3040 75.92909 407.7862 80.03989 408.2683 85.51198 408.7504 92.35970 409.2325 100.0613 409.7146 108.4933 410.1967 117.6164 410.6789 127.1279 411.1610 136.9890 411.6431 149.5511 412.1252 166.5704 412.6073 187.7882 413.0894 212.6418 413.5716 240.7269 414.0537 271.8351 414.5358 307.2296 415.0179 345.4745 415.5000 383.1320 415.9821 423.4768 416.4643 459.0009 416.9464 484.4296 417.4285 499.5948 417.9106 496.6610 418.3927 464.9130 418.8748 414.0368 419.3570 356.1652 419.8391 281.7791 420.3212 213.8106 420.8033 160.6348 421.2854 121.5387 421.7675 91.60872 422.2497 72.90500 422.7318 60.26154 423.2139 51.60669 423.6960 48.14891 424.1781 45.47777 424.6602 43.22728 425.1424 41.50935 425.6245 40.49701 426.1066 39.90862 426.5887 40.40895 427.0709 42.61945 427.5530 46.53731 428.0351 49.25676 428.5172 50.42038 428.9993 50.90977 429.4814 51.52794 429.9636 52.67740 430.4457 52.32755 430.9278 50.09019 431.4099 46.48412 431.8920 42.44615 432.3741 37.87167 432.8563 33.40527 433.3384 29.35809 433.8205 25.66391 434.3026 21.80432 434.7847 17.66373 435.2668 14.11407 435.7490 12.41438 436.2311 12.11681 436.7132 11.66306 437.1953 10.51410 437.6774 9.202957 438.1595 8.421570 438.6417 8.153076 439.1238 8.047836 439.6059 7.955246 440.0880 7.877213 440.5701 7.829636 441.0522 7.810394 441.5344 7.840546 442.0165 8.053604 442.4986 8.285660 442.9807 8.334366 443.4628 7.909409 443.9449 7.589462 444.4271 7.360153 444.9092 7.293259 445.3913 7.897644 445.8734 10.16995 446.3555 12.50598 446.8376 14.10071 447.3198 14.66368 447.8019 15.07616 448.2840 15.07022 448.7661 14.91457 449.2482 15.14183 449.7303 16.98482 450.2125 17.37874 450.6946 15.09933 451.1767 10.40640 451.6588 7.317307 452.1409 6.080246 452.6230 5.809433 453.1052 6.287567 453.5873 7.589005 454.0694 7.829025 454.5515 6.674301 455.0337 4.806351 455.5158 3.263748 455.9979 2.024750 456.4800 0.9560700 456.9621 0.2094570 457.4442 1.193542 457.9264 1.158737 458.4085 0.1392210 458.8906 1.001297 459.3727 1.740753 459.8548 2.090622 460.3369 1.956909 460.8191 1.097870 461.3012 0.2904210 461.7833 0.3083950 462.2654 0.8361510 462.7475 1.214905 463.2296 0.9735720 463.7118 0.6622620 464.1939 0.6625370 464.6760 0.9832610 465.1581 1.157532 465.6402 1.173096 466.1223 1.009140 466.6045 0.6456760 467.0866 0.9105830 467.5687 1.440048 468.0508 0.1477660 468.5329 2.177261 469.0150 3.837357 469.4972 4.763535 469.9793 5.089310 470.4614 4.683670 470.9435 3.495483 471.4256 2.607803 471.9077 2.016800 472.3899 1.738998 472.8720 1.986465 473.3541 2.853210 473.8362 3.033295 474.3183 2.055450 474.8004 0.7690890 475.2826 1.269897 475.7647 3.398758 476.2468 4.902390 476.7289 3.902191 477.2110 1.602478 477.6931 0.7367400 478.1753 1.318359 478.6574 2.386673 479.1395 3.615799 479.6216 4.696121 480.1037 5.093750 480.5858 4.344467 481.0680 3.500259 481.5501 3.381943 482.0322 3.697006 482.5143 3.836197 482.9964 3.170639 483.4786 2.614746 483.9607 2.692123 484.4428 3.481537 484.9249 4.193909 485.4070 4.704178 485.8892 5.065277 486.3713 5.317810 486.8534 5.740082 487.3355 5.619064 487.8176 4.518219 488.2997 3.004364 488.7819 2.323730 489.2640 2.826202 489.7461 3.370422 490.2282 3.589554 490.7103 3.503647 491.1924 3.433044 491.6746 3.377090 492.1567 3.330765 492.6388 3.307861 493.1209 3.299591 493.6030 3.294159 494.0851 3.369934 494.5673 3.225082 495.0494 2.071381 495.5315 0.2285310 496.0136 1.108810 496.4957 1.138351 496.9778 0.5271300 497.4600 0.1204220 497.9421 0.7812350 498.4242 1.314362 498.9063 1.877975 499.3884 2.146240 499.8705 1.708694 500.3527 6.1813001E-02 500.8348 1.226456 501.3169 1.572525 501.7990 1.221222 502.2811 0.5075530 502.7632 1.585999 503.2454 2.876892 503.7275 2.560944 504.2096 0.8094330 504.6917 0.6241000 505.1738 1.993256 505.6559 2.685516 506.1381 2.115326 506.6202 0.2818910 507.1023 1.574524 507.5844 1.487976 508.0665 0.7972560 508.5486 0.5442500 509.0308 0.7412410 509.5129 0.7479400 509.9950 0.2015230 510.4771 0.4468990 510.9592 7.5989000E-02 511.4413 1.625397 511.9235 2.858627 512.4056 2.629196 512.8877 1.654343 513.3698 0.9707790 513.8519 0.6630860 514.3340 0.5101320 514.8162 0.3511660 515.2983 0.2226260 515.7804 0.2233580 516.2625 0.2298580 516.7446 0.5961910 517.2267 2.152084 517.7089 4.206024 518.1910 5.029816 518.6731 2.460846 519.1552 0.2931370 519.6373 0.3542480 520.1194 3.005417 520.6016 3.954224 521.0837 1.859543 521.5658 0.4548650 522.0479 0.7687990 522.5300 1.665787 523.0121 3.336304 523.4943 3.847656 523.9764 3.709213 524.4585 3.713074 524.9406 3.828751 525.4227 4.208679 525.9048 5.281708 526.3870 6.533417 526.8691 6.593231 527.3513 5.535873 527.8334 4.488602 528.3155 4.314651 528.7976 4.632889 529.2797 4.951401 529.7618 5.241379 530.2440 5.365143 530.7261 5.186447 531.2082 4.850769 531.6903 4.509171 532.1724 3.787872 532.6545 3.451263 533.1367 4.148956 533.6188 5.497894 534.1009 6.153717 534.5830 5.241089 535.0651 4.250076 535.5472 3.587296 536.0294 3.236816 536.5115 3.463882 536.9936 4.635345 537.4757 5.845535 537.9578 6.241119 538.4399 5.708862 538.9221 5.300446 539.4042 5.136475 539.8863 5.164337 540.3684 5.347946 540.8505 5.683075 541.3326 5.687515 541.8148 4.713287 542.2969 3.562134 542.7790 3.987045 543.2611 5.798187 543.7432 7.402222 544.2253 7.590347 544.7075 7.071106 545.1896 6.503418 545.6717 5.954330 546.1538 5.491974 546.6359 5.158203 547.1180 4.931320 547.6002 4.789871 548.0823 4.404907 548.5644 4.496094 549.0465 5.643295 549.5286 7.371124 550.0107 8.258392 550.4929 7.669327 550.9750 7.206985 551.4571 7.550201 551.9392 8.708847 552.4213 8.884003 552.9034 7.795914 553.3856 6.603516 553.8677 6.312469 554.3498 6.878952 554.8319 7.149979 555.3140 6.964935 555.7961 6.567490 556.2783 6.242371 556.7604 5.984940 557.2425 5.789581 557.7246 5.707779 558.2067 5.632751 558.6888 5.263412 559.1710 4.764862 559.6531 4.592484 560.1352 5.448273 560.6173 6.321426 561.0994 6.396347 561.5815 5.462555 562.0637 5.084427 562.5458 6.225311 563.0279 7.497147 563.5100 7.935547 563.9921 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