#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:00:51 +0300 (Thu, 24 May 2018) $ #$Revision: 867 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000351.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_1000351 loop_ _publ_author_name 'Capitani, G. C.' 'Di Pierro, S.' 'Tempesta, G.' _publ_section_title ; The 6H-SiC structure model: Further refinement from SCXRD data from a terrestrial moissanite Locality: 150 km NW from Izmir, Turkey ; _journal_name_full 'American Mineralogist' _journal_page_first 403 _journal_page_last 407 _journal_paper_doi 10.2138/am.2007.2346 _journal_volume 92 _journal_year 2007 _chemical_compound_source R150016 _chemical_formula_sum 'C Si' _chemical_name_mineral Moissanite _space_group_IT_number 186 _symmetry_space_group_name_Hall 'P 6c -2c' _symmetry_space_group_name_H-M 'P 63 m c' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 3.0810 _cell_length_b 3.0810 _cell_length_c 15.1248 _cell_volume 124.338 _exptl_crystal_density_diffrn 3.213 _cod_original_formula_sum 'Si C' _cod_database_code 9010158 _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 R150016.rod _rod_data_source.block 3500000 _rod_database.code 1000351 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 9010158 COD http://www.crystallography.net/cod/9010158.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 90.26532 0.0000000E+00 90.74744 3.3904999E-02 91.22955 5.003296 91.71167 11.91141 92.19379 16.93204 92.67590 20.29306 93.15802 22.06519 93.64014 22.47516 94.12225 21.69281 94.60437 20.72687 95.08649 20.36938 95.56860 19.86548 96.05072 19.01804 96.53284 21.38187 97.01495 23.02435 97.49707 21.40363 97.97919 16.22278 98.46130 11.46436 98.94342 7.988708 99.42554 5.727203 99.90765 4.630249 100.3898 5.088928 100.8719 5.864319 101.3540 4.928314 101.8361 1.766632 102.3182 1.100067 102.8004 2.718750 103.2825 2.863922 103.7646 2.777832 104.2467 2.539276 104.7288 2.020355 105.2109 0.9635930 105.6931 0.5147710 106.1752 2.696320 106.6573 5.815277 107.1394 10.68985 107.6215 15.13132 108.1036 19.41611 108.5858 23.40408 109.0679 26.08829 109.5500 26.00525 110.0321 25.75964 110.5142 26.73029 110.9963 29.95187 111.4785 33.21585 111.9606 36.23187 112.4427 39.01727 112.9248 41.97415 113.4069 45.39969 113.8890 48.89349 114.3712 52.17725 114.8533 54.76361 115.3354 57.50220 115.8175 60.91293 116.2996 65.16568 116.7817 68.81256 117.2639 70.96381 117.7460 72.36066 118.2281 73.94040 118.7102 76.58179 119.1923 79.13599 119.6744 80.80490 120.1566 81.37222 120.6387 81.65671 121.1208 81.77457 121.6029 81.94128 122.0850 82.60791 122.5671 84.19125 123.0493 86.27765 123.5314 88.56030 124.0135 91.14413 124.4956 93.48486 124.9777 94.96863 125.4598 95.70032 125.9420 96.09225 126.4241 95.95422 126.9062 95.70117 127.3883 96.20258 127.8704 97.96381 128.3525 100.1107 128.8347 101.0842 129.3168 100.9581 129.7989 101.0235 130.2810 102.0602 130.7631 104.0811 131.2452 107.2263 131.7274 111.7260 132.2095 117.2872 132.6916 123.9241 133.1737 132.0323 133.6558 138.7408 134.1379 140.4595 134.6201 137.2755 135.1022 134.5600 135.5843 134.0056 136.0664 135.3378 136.5485 136.4669 137.0306 137.2504 137.5128 138.1892 137.9949 140.0282 138.4770 142.9396 138.9591 145.9223 139.4412 148.5950 139.9233 150.8713 140.4055 153.6506 140.8876 157.0816 141.3697 160.8544 141.8518 164.3594 142.3339 167.1702 142.8160 170.5870 143.2982 174.6792 143.7803 178.4718 144.2624 186.4204 144.7445 201.3579 145.2266 219.5696 145.7087 231.3700 146.1909 231.0062 146.6730 231.8062 147.1551 239.0320 147.6372 254.6179 148.1193 272.8799 148.6014 287.7845 149.0836 304.5053 149.5657 343.3763 150.0478 466.4253 150.5299 561.0630 151.0120 578.0970 151.4941 432.2375 151.9763 309.6003 152.4584 213.7578 152.9405 144.0317 153.4226 93.85229 153.9047 73.29233 154.3868 65.31528 154.8690 60.65448 155.3511 61.08566 155.8332 61.77539 156.3153 62.16687 156.7974 62.25577 157.2795 62.07867 157.7617 61.20621 158.2438 60.32376 158.7259 59.90854 159.2080 60.50061 159.6901 61.15857 160.1722 61.68951 160.6544 62.11612 161.1365 62.05414 161.6186 60.52563 162.1007 58.79752 162.5828 58.01221 163.0649 59.59891 163.5471 61.32382 164.0292 62.10306 164.5113 61.89328 164.9934 61.45474 165.4755 60.97861 165.9576 60.52542 166.4398 60.17963 166.9219 60.28824 167.4040 60.27783 167.8861 59.72525 168.3682 58.59015 168.8503 57.26703 169.3325 55.55118 169.8146 53.86218 170.2967 52.90054 170.7788 53.70639 171.2609 54.95569 171.7430 55.40881 172.2252 54.93597 172.7073 54.19778 173.1894 53.66547 173.6715 53.25589 174.1536 52.81006 174.6357 52.19656 175.1179 51.51294 175.6000 50.89246 176.0821 50.37073 176.5642 49.82001 177.0463 48.88586 177.5284 47.76227 178.0106 47.06097 178.4927 47.37836 178.9748 48.26764 179.4569 49.06146 179.9390 49.75586 180.4211 50.16199 180.9033 50.16345 181.3854 49.72668 181.8675 48.71149 182.3496 46.01733 182.8317 42.73111 183.3138 41.74777 183.7960 43.96112 184.2781 46.88602 184.7602 46.49326 185.2423 43.15002 185.7244 40.01672 186.2065 38.94766 186.6887 39.63165 187.1708 41.06876 187.6529 43.40543 188.1350 45.90051 188.6171 47.18692 189.0992 47.29138 189.5814 47.02448 190.0635 46.85172 190.5456 46.74203 191.0277 46.56516 191.5098 46.35059 191.9919 45.99435 192.4741 45.26843 192.9562 44.17117 193.4383 42.88004 193.9204 41.47592 194.4025 39.96466 194.8846 38.43011 195.3668 36.81509 195.8489 35.25308 196.3310 34.11246 196.8131 33.42969 197.2952 32.88577 197.7773 32.28781 198.2595 31.63916 198.7416 30.91208 199.2237 30.05692 199.7058 29.17584 200.1879 28.63672 200.6700 28.51251 201.1522 28.38031 201.6343 27.94946 202.1164 27.20245 202.5985 26.30658 203.0806 25.15677 203.5627 23.94962 204.0449 23.52505 204.5270 24.15723 205.0091 24.65826 205.4912 23.95132 205.9733 21.71085 206.4554 20.25513 206.9376 20.03165 207.4197 20.73190 207.9018 21.22427 208.3839 21.53433 208.8660 21.57507 209.3481 21.25876 209.8303 20.53143 210.3124 19.67108 210.7945 18.58591 211.2766 17.42313 211.7587 16.82156 212.2408 17.27090 212.7230 17.84396 213.2051 17.70428 213.6872 16.30740 214.1693 15.53204 214.6514 15.90387 215.1335 17.19803 215.6157 18.03391 216.0978 18.22391 216.5799 18.08179 217.0620 17.82932 217.5441 17.43228 218.0262 17.24292 218.5084 17.32556 218.9905 17.58527 219.4726 17.71628 219.9547 17.69388 220.4368 17.47906 220.9189 17.04846 221.4011 16.23660 221.8832 15.81345 222.3653 15.74051 222.8474 16.05444 223.3295 17.15741 223.8116 19.58978 224.2938 22.03052 224.7759 23.66074 225.2580 24.26608 225.7401 24.45752 226.2222 24.07098 226.7043 23.30273 227.1865 22.94458 227.6686 23.20273 228.1507 23.57013 228.6328 23.69165 229.1149 23.24518 229.5970 23.23914 230.0792 23.94424 230.5613 25.20981 231.0434 26.23734 231.5255 26.62732 232.0076 27.27710 232.4897 28.78775 232.9719 31.74200 233.4540 34.16223 233.9361 35.17313 234.4182 35.64471 234.9003 39.14285 235.3824 48.52347 235.8646 56.90054 236.3467 60.39008 236.8288 55.71356 237.3109 53.36523 237.7930 54.12943 238.2751 57.29291 238.7573 60.33786 239.2394 61.07861 239.7215 64.89557 240.2036 75.89215 240.6857 102.7139 241.1678 116.8752 241.6500 115.6703 242.1321 102.6128 242.6142 85.22800 243.0963 58.93588 243.5784 35.12109 244.0605 19.04178 244.5427 12.99423 245.0248 8.640625 245.5069 6.336182 245.9890 5.553009 246.4711 5.307495 246.9532 6.043060 247.4354 6.631531 247.9175 6.531647 248.3996 5.420837 248.8817 4.649933 249.3638 4.278900 249.8459 4.264709 250.3281 4.570709 250.8102 5.529144 251.2923 6.185883 251.7744 6.173706 252.2565 5.353546 252.7386 4.485291 253.2208 3.450287 253.7029 2.482513 254.1850 1.910675 254.6671 1.831696 255.1492 1.898285 255.6313 2.011749 256.1135 2.156189 256.5956 2.468811 257.0777 3.035461 257.5598 3.658447 258.0419 4.075958 258.5240 4.250275 259.0062 4.287231 259.4883 4.110382 259.9704 3.691498 260.4525 3.682190 260.9346 4.180908 261.4167 4.977875 261.8989 5.842743 262.3810 6.750397 262.8631 7.833191 263.3452 9.213867 263.8273 10.90567 264.3094 12.02295 264.7916 12.14731 265.2737 12.40906 265.7558 14.39352 266.2379 19.19534 266.7200 22.10577 267.2021 22.16476 267.6843 19.49432 268.1664 14.89621 268.6485 7.444763 269.1306 4.6689999E-03 269.6127 4.971680 270.0948 7.235535 270.5770 8.031464 271.0591 7.063843 271.5412 4.805664 272.0233 3.624756 272.5054 3.850128 272.9875 4.293274 273.4697 3.964508 273.9518 2.668762 274.4339 1.944061 274.9160 2.155823 275.3981 2.953217 275.8802 3.354156 276.3624 3.316193 276.8445 2.956177 277.3266 2.135773 277.8087 0.7814940 278.2908 7.5165004E-02 278.7729 0.2658690 279.2551 0.9613340 279.7372 1.225067 280.2193 0.9879760 280.7014 0.7750550 281.1835 0.9358830 281.6656 1.462006 282.1478 1.815796 282.6299 1.947510 283.1120 1.956238 283.5941 2.018829 284.0762 2.142456 284.5583 2.198700 285.0405 2.186157 285.5226 2.087524 286.0047 1.653717 286.4868 0.7990720 286.9689 0.1062930 287.4510 0.4215090 287.9332 0.1836240 288.4153 0.1899110 288.8974 1.050232 289.3795 2.423187 289.8616 2.887451 290.3438 2.352173 290.8259 1.537903 291.3080 1.256561 291.7901 1.422241 292.2722 1.469910 292.7543 1.104492 293.2365 0.5626220 293.7186 0.4012150 294.2007 0.6291810 294.6828 1.075256 295.1649 1.795532 295.6470 2.650208 296.1292 3.148407 296.6113 3.015717 297.0934 2.628357 297.5755 2.678955 298.0576 3.115448 298.5397 3.400330 299.0219 2.817841 299.5040 1.815369 299.9861 1.454376 300.4682 2.162994 300.9503 3.131744 301.4324 3.333008 301.9146 2.921783 302.3967 2.523987 302.8788 2.686127 303.3609 3.063599 303.8430 3.052277 304.3251 2.430084 304.8073 1.949982 305.2894 2.642853 305.7715 4.046539 306.2536 5.044495 306.7357 4.562592 307.2178 3.632721 307.7000 3.360565 308.1821 3.876404 308.6642 4.544739 309.1463 5.107147 309.6284 5.477692 310.1105 5.523315 310.5927 4.672791 311.0748 3.849182 311.5569 3.851837 312.0390 4.690491 312.5211 5.443085 313.0032 5.440460 313.4854 5.142609 313.9675 5.043457 314.4496 5.564087 314.9317 6.099976 315.4138 6.369049 315.8959 6.402435 316.3781 6.374542 316.8602 6.361328 317.3423 6.326355 317.8244 6.250092 318.3065 6.167297 318.7886 5.995087 319.2708 5.478973 319.7529 4.821564 320.2350 4.591980 320.7171 5.428131 321.1992 6.381958 321.6813 6.958313 322.1635 6.897858 322.6456 6.894989 323.1277 7.163818 323.6098 7.553894 324.0919 7.815338 324.5740 7.874451 325.0562 7.828094 325.5383 7.660187 326.0204 7.308685 326.5025 7.095245 326.9846 6.946198 327.4667 6.776093 327.9489 6.785400 328.4310 7.733856 328.9131 8.324615 329.3952 8.365906 329.8773 7.776611 330.3594 7.026764 330.8416 5.740356 331.3237 4.642761 331.8058 4.334747 332.2879 5.492767 332.7700 6.113037 333.2521 5.745483 333.7343 4.657166 334.2164 4.126648 334.6985 4.500275 335.1806 4.975128 335.6627 5.062012 336.1448 4.430084 336.6270 4.252655 337.1091 4.698578 337.5912 5.483398 338.0733 6.021423 338.5554 6.259521 339.0375 6.392242 339.5197 6.517151 340.0018 6.662537 340.4839 6.516815 340.9660 6.020905 341.4481 5.387787 341.9302 4.881042 342.4124 4.499695 342.8945 4.242523 343.3766 4.166931 343.8587 4.235077 344.3408 4.139709 344.8229 3.846069 345.3051 3.618164 345.7872 3.901947 346.2693 4.582367 346.7514 4.748901 347.2335 3.968231 347.7156 2.828094 348.1978 2.569916 348.6799 3.129272 349.1620 3.901398 349.6441 4.731384 350.1262 5.479431 350.6083 5.705383 351.0905 5.242493 351.5726 4.643494 352.0547 4.620361 352.5368 5.022186 353.0189 5.367188 353.5010 5.315399 353.9832 5.085541 354.4653 4.986542 354.9474 5.028107 355.4295 5.000305 355.9116 4.522430 356.3937 3.910492 356.8759 3.638458 357.3580 4.287048 357.8401 4.963959 358.3222 4.919861 358.8043 4.299438 359.2864 3.933624 359.7686 4.601013 360.2507 5.525024 360.7328 6.035889 361.2149 5.766052 361.6970 5.436432 362.1791 5.386139 362.6613 5.469971 363.1434 5.396362 363.6255 4.545013 364.1076 3.915710 364.5897 4.126678 365.0718 5.605835 365.5540 6.620575 366.0361 6.494720 366.5182 5.893341 367.0003 5.611267 367.4824 6.293182 367.9645 6.727020 368.4467 6.503876 368.9288 5.587341 369.4109 4.968109 369.8930 4.773376 370.3751 4.810303 370.8572 4.970917 371.3394 5.471039 371.8215 5.743164 372.3036 5.744507 372.7857 5.486511 373.2678 4.936737 373.7499 3.701294 374.2321 2.854828 374.7142 3.046265 375.1963 4.622345 375.6784 5.736328 376.1605 6.330536 376.6426 6.519562 377.1248 6.374969 377.6069 5.816345 378.0890 5.333008 378.5711 5.095673 379.0532 5.091278 379.5353 5.330231 380.0175 5.861847 380.4996 6.324554 380.9817 6.221893 381.4638 5.650604 381.9459 5.432892 382.4280 5.846191 382.9102 6.543152 383.3923 6.805145 383.8744 6.671600 384.3565 6.575836 384.8386 6.919067 385.3207 7.472290 385.8029 7.746307 386.2850 7.669312 386.7671 7.458344 387.2492 7.197601 387.7313 6.963928 388.2134 6.948456 388.6956 7.627991 389.1777 8.308563 389.6598 8.249542 390.1419 7.497375 390.6240 6.751556 391.1061 6.516479 391.5883 6.471985 392.0704 6.267029 392.5525 5.582458 393.0346 5.057770 393.5167 5.260681 393.9988 5.883850 394.4810 6.047638 394.9631 5.012054 395.4452 3.802979 395.9273 2.921844 396.4094 2.490112 396.8915 2.182587 397.3737 1.763062 397.8558 1.489471 398.3379 1.680084 398.8200 3.161163 399.3021 4.250732 399.7842 4.458832 400.2664 3.786407 400.7485 3.388885 401.2306 3.451080 401.7127 3.611572 402.1948 3.641724 402.6769 3.469696 403.1591 3.317627 403.6412 3.235046 404.1233 3.163361 404.6054 2.905060 405.0875 2.374329 405.5696 1.916840 406.0518 1.752136 406.5339 1.901855 407.0160 1.720978 407.4981 1.112213 407.9802 0.4771420 408.4623 0.3618470 408.9445 0.7576600 409.4266 1.066254 409.9087 1.056305 410.3908 0.9273680 410.8729 1.287659 411.3550 2.120514 411.8372 2.771698 412.3193 2.665558 412.8014 2.041626 413.2835 1.370514 413.7656 0.6283570 414.2477 0.1400450 414.7299 0.4850160 415.2120 1.380371 415.6941 2.134094 416.1762 2.337524 416.6583 2.308807 417.1404 2.258148 417.6226 2.188751 418.1047 2.193329 418.5868 2.355988 419.0689 2.594147 419.5510 2.822174 420.0331 3.129944 420.5153 3.293274 420.9974 3.153656 421.4795 2.813080 421.9616 2.508087 422.4437 2.242859 422.9258 2.095001 423.4080 2.168121 423.8901 2.584381 424.3722 2.827362 424.8543 2.749390 425.3364 2.520386 425.8185 2.288330 426.3007 1.878540 426.7828 1.762848 427.2649 2.253906 427.7470 3.177460 428.2291 3.275177 428.7112 2.041168 429.1934 0.8561710 429.6755 0.5793760 430.1576 1.476654 430.6397 1.884399 431.1218 1.618011 431.6039 1.072723 432.0861 0.9134520 432.5682 1.177612 433.0503 1.314575 433.5324 1.015503 434.0145 0.4646910 434.4966 0.4189450 434.9788 0.8995970 435.4609 1.321136 435.9430 0.9635930 436.4251 0.1517940 436.9072 0.1436460 437.3893 0.3913880 437.8715 1.122437 438.3536 1.160950 438.8357 0.7799680 439.3178 0.7407840 439.7999 2.103546 440.2820 3.562286 440.7642 3.713043 441.2463 2.472595 441.7284 1.279236 442.2105 0.8897710 442.6926 0.9274290 443.1747 1.037994 443.6569 1.261719 444.1390 1.374969 444.6211 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