#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:03:28 +0300 (Thu, 26 Apr 2018) $ #$Revision: 638 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000172.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_1000172 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 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 R150016.rod _rod_data_source.block 3500000 _rod_database.code 1000172 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 93.48840 0.0000000E+00 93.97052 13.44897 94.45264 16.55957 94.93475 17.50085 95.41687 17.96838 95.89898 18.93402 96.38110 19.81604 96.86321 20.09869 97.34533 18.81805 97.82745 15.48755 98.30956 12.54065 98.79168 10.37317 99.27380 9.500488 99.75591 8.997009 100.2380 7.681885 100.7201 6.122192 101.2023 3.820984 101.6844 1.171936 102.1665 0.3209230 102.6486 0.3736570 103.1307 1.065002 103.6128 1.045471 104.0950 0.3353880 104.5771 0.2762450 105.0592 0.6825560 105.5413 0.7954100 106.0234 0.4011840 106.5055 0.7736820 106.9877 2.587769 107.4698 3.598267 107.9519 3.291992 108.4340 2.769958 108.9161 2.449890 109.3982 2.265198 109.8804 1.987488 110.3625 1.260681 110.8446 0.1011960 111.3267 0.8576050 111.8088 0.7886350 112.2909 0.3771970 112.7731 0.3579710 113.2552 1.311279 113.7373 2.189148 114.2194 2.555176 114.7015 1.915100 115.1836 1.606873 115.6658 2.050842 116.1479 2.615112 116.6300 2.533325 117.1121 1.490356 117.5942 5.0537001E-02 118.0763 0.3154910 118.5584 0.9392700 119.0406 1.869324 119.5227 1.516357 120.0048 0.3404540 120.4869 0.3444820 120.9690 0.2637330 121.4511 1.567566 121.9333 2.237366 122.4154 1.997375 122.8975 1.588013 123.3796 1.793030 123.8617 2.748413 124.3438 3.494263 124.8260 3.093506 125.3081 2.310730 125.7902 1.875732 126.2723 2.076111 126.7544 2.708008 127.2365 3.347351 127.7187 3.992310 128.2008 4.766296 128.6829 5.816223 129.1650 6.966370 129.6471 7.899536 130.1292 8.314697 130.6114 8.288818 131.0935 9.073486 131.5756 12.33301 132.0577 14.83801 132.5398 15.56195 133.0219 14.80035 133.5041 13.40546 133.9862 12.01251 134.4683 10.49377 134.9504 10.04602 135.4325 11.24762 135.9146 12.80859 136.3968 13.97980 136.8789 14.71832 137.3610 15.44592 137.8431 16.66479 138.3252 18.48706 138.8073 20.04565 139.2895 20.99091 139.7716 21.71655 140.2537 22.84131 140.7358 24.59424 141.2179 26.36609 141.7000 27.06360 142.1821 26.75427 142.6643 26.94928 143.1464 28.32605 143.6285 30.68683 144.1106 33.55017 144.5927 37.45178 145.0748 41.01849 145.5570 42.74164 146.0391 42.63745 146.5212 42.68066 147.0033 44.21002 147.4854 47.21039 147.9675 52.18811 148.4497 61.85571 148.9318 72.03497 149.4139 83.07202 149.8960 94.38293 150.3781 100.6523 150.8602 91.77795 151.3424 57.12848 151.8245 30.25287 152.3066 15.07587 152.7887 6.664612 153.2708 2.038696 153.7529 3.1920999E-02 154.2351 0.2653810 154.7172 0.4126590 155.1993 0.6223140 155.6814 0.5274660 156.1635 0.2016600 156.6456 1.149353 157.1278 1.792114 157.6099 1.858398 158.0920 1.503296 158.5741 1.362122 159.0562 1.300903 159.5383 1.546570 160.0205 2.494751 160.5026 3.849548 160.9847 4.756531 161.4668 4.625427 161.9489 3.704285 162.4310 3.229309 162.9131 3.580811 163.3953 4.005310 163.8774 4.087097 164.3595 3.870544 164.8416 3.598816 165.3237 3.358704 165.8058 3.206421 166.2880 3.249756 166.7701 3.639893 167.2522 4.117188 167.7343 4.363647 168.2164 4.327698 168.6985 4.288757 169.1807 4.468018 169.6628 4.746948 170.1449 4.915344 170.6270 4.795349 171.1091 4.538208 171.5912 4.577515 172.0734 5.136353 172.5555 5.565918 173.0376 5.644958 173.5197 5.456360 174.0018 5.086487 174.4839 4.553894 174.9661 3.880432 175.4482 3.253296 175.9303 2.660889 176.4124 2.192383 176.8945 1.811890 177.3766 1.553467 177.8588 1.535339 178.3409 1.898743 178.8230 2.668396 179.3051 2.930176 179.7872 2.196899 180.2693 1.427002 180.7515 0.6477050 181.2336 3.4302000E-02 181.7157 4.6999999E-03 182.1978 1.050232 182.6799 3.409729 183.1620 4.334808 183.6441 2.652100 184.1263 0.9121700 184.6084 0.4713750 185.0905 1.264496 185.5726 2.336914 186.0547 2.832184 186.5368 2.652985 187.0190 2.531738 187.5011 2.460938 187.9832 2.433411 188.4653 2.371368 188.9474 2.289764 189.4296 2.456085 189.9117 3.412903 190.3938 5.093933 190.8759 5.821075 191.3580 4.578339 191.8401 2.687469 192.3223 1.709045 192.8044 1.942108 193.2865 2.528412 193.7686 2.578766 194.2507 2.202209 194.7328 1.840912 195.2150 1.867859 195.6971 2.163300 196.1792 2.473938 196.6613 2.747925 197.1434 2.866516 197.6255 2.579468 198.1077 2.114777 198.5898 2.032745 199.0719 3.114380 199.5540 4.918030 200.0361 5.462982 200.5182 3.726135 201.0004 2.088501 201.4825 1.969421 201.9646 2.964386 202.4467 4.058533 202.9288 4.615784 203.4109 4.667969 203.8930 4.537231 204.3752 3.641907 204.8573 3.183319 205.3394 4.078461 205.8215 5.842896 206.3036 7.294586 206.7857 7.341156 207.2679 5.888550 207.7500 4.890625 208.2321 4.655701 208.7142 4.627045 209.1963 4.904388 209.6784 5.292725 210.1606 5.366455 210.6427 4.660797 211.1248 3.040833 211.6069 2.007111 212.0890 1.695313 212.5711 1.732117 213.0533 2.113861 213.5354 2.746368 214.0175 3.428528 214.4996 3.987732 214.9817 4.466461 215.4638 4.796082 215.9460 4.854370 216.4281 4.733307 216.9102 4.455200 217.3923 4.121887 217.8744 3.905212 218.3565 4.011108 218.8387 4.517395 219.3208 4.688690 219.8029 3.909454 220.2850 3.179779 220.7671 3.197510 221.2492 3.981354 221.7314 5.053558 222.2135 6.088470 222.6956 7.067902 223.1777 7.730621 223.6598 7.927917 224.1419 7.925446 224.6240 7.865784 225.1062 7.768280 225.5883 7.720978 226.0704 7.887848 226.5525 8.199921 227.0346 8.174591 227.5167 7.326874 227.9989 6.370819 228.4810 5.985657 228.9631 6.212219 229.4452 6.758789 229.9273 7.675537 230.4094 8.761749 230.8916 9.443665 231.3737 8.862122 231.8558 8.249939 232.3379 9.420837 232.8200 12.69009 233.3021 15.54938 233.7843 15.74933 234.2664 14.59964 234.7485 14.06375 235.2306 14.87677 235.7127 16.30634 236.1948 17.46201 236.6770 18.36761 237.1591 18.90903 237.6412 18.30435 238.1233 17.52170 238.6054 17.69424 239.0875 19.28604 239.5697 21.81354 240.0518 25.23483 240.5339 30.67877 241.0160 33.32117 241.4981 29.64771 241.9802 23.08157 242.4624 16.28214 242.9445 9.903076 243.4266 4.501404 243.9087 1.223907 244.3908 0.6830440 244.8729 0.6598510 245.3550 0.8811040 245.8372 1.135712 246.3193 1.206055 246.8014 1.006714 247.2835 0.7243040 247.7656 0.6896970 248.2477 1.039093 248.7299 1.316223 249.2120 1.662048 249.6941 1.779297 250.1762 1.192322 250.6583 0.2006230 251.1404 1.663177 251.6226 1.784637 252.1047 0.4704900 252.5868 1.700806 253.0689 0.7557370 253.5510 0.5942380 254.0331 1.013428 254.5153 0.2024230 254.9974 1.079712 255.4795 1.637726 255.9616 1.006042 256.4437 0.6434630 256.9258 0.8168640 257.4080 1.059906 257.8901 1.023071 258.3722 0.6551210 258.8543 0.1862790 259.3364 6.5369003E-02 259.8185 5.0659999E-03 260.3007 6.3231997E-02 260.7828 1.4313000E-02 261.2649 1.6998000E-02 261.7470 0.3483580 262.2291 0.9751590 262.7112 1.748413 263.1934 2.522644 263.6755 3.344391 264.1576 3.988678 264.6397 4.538177 265.1218 4.866882 265.6039 4.909943 266.0861 4.671295 266.5682 4.175110 267.0503 3.416718 267.5324 2.345764 268.0145 1.344818 268.4966 0.2662050 268.9788 0.6415410 269.4609 1.212921 269.9430 1.479645 270.4251 1.571655 270.9072 1.566528 271.3893 1.451508 271.8715 1.505890 272.3536 2.250519 272.8357 2.628113 273.3178 1.908813 273.7999 0.4062500 274.2820 1.047424 274.7642 1.937775 275.2463 2.268860 275.7284 2.020081 276.2105 0.4581910 276.6926 0.7536320 277.1747 0.8920900 277.6568 0.2653500 278.1389 0.4512940 278.6211 0.9194950 279.1032 1.179321 279.5853 1.360596 280.0674 1.423096 280.5495 1.473663 281.0316 1.599701 281.5138 1.722687 281.9959 1.691620 282.4780 1.433228 282.9601 1.016449 283.4422 0.6053770 283.9243 6.9518998E-02 284.4065 0.2325740 284.8886 0.1763310 285.3707 0.1400450 285.8528 0.6518550 286.3349 1.370636 286.8170 2.097778 287.2992 2.425751 287.7813 2.166016 288.2634 2.186920 288.7455 3.035553 289.2276 4.063416 289.7097 4.370422 290.1919 3.737946 290.6740 2.869202 291.1561 2.587341 291.6382 2.967834 292.1203 3.402588 292.6024 3.935150 293.0846 4.439148 293.5667 4.816803 294.0488 5.053223 294.5309 5.109711 295.0130 4.866669 295.4951 4.326172 295.9773 4.037933 296.4594 4.205353 296.9415 4.496155 297.4236 4.561554 297.9057 4.426788 298.3878 4.547699 298.8700 5.417664 299.3521 6.832794 299.8342 7.534851 300.3163 6.758606 300.7984 5.964142 301.2805 6.137756 301.7627 7.080566 302.2448 7.920380 302.7269 8.267273 303.2090 8.153259 303.6911 7.693085 304.1732 6.531311 304.6554 5.606720 305.1375 5.491272 305.6196 5.949463 306.1017 6.382294 306.5838 6.575256 307.0659 6.605560 307.5481 6.595917 308.0302 6.523926 308.5123 6.416351 308.9944 6.294830 309.4765 6.196320 309.9586 6.120087 310.4408 5.873169 310.9229 5.698486 311.4050 6.037964 311.8871 6.949860 312.3692 7.782196 312.8513 8.578400 313.3335 9.090912 313.8156 8.788208 314.2977 7.555878 314.7798 6.528656 315.2619 6.986115 315.7440 8.802094 316.2262 9.918854 316.7083 9.659119 317.1904 8.989014 317.6725 8.744873 318.1546 8.923981 318.6367 8.991516 319.1188 8.474701 319.6010 7.602722 320.0831 7.349426 320.5652 8.233765 321.0473 9.178925 321.5294 9.485626 322.0115 9.330963 322.4937 9.425568 322.9758 10.24954 323.4579 11.33789 323.9400 11.43469 324.4221 10.09525 324.9042 8.920410 325.3864 8.524109 325.8685 8.662781 326.3506 8.937469 326.8327 9.249451 327.3148 9.458466 327.7969 9.205109 328.2791 8.355499 328.7612 7.945587 329.2433 8.585449 329.7254 9.570984 330.2075 10.05380 330.6896 9.918152 331.1718 9.564880 331.6539 9.323059 332.1360 9.154358 332.6181 9.045898 333.1002 9.091797 333.5823 9.116791 334.0645 8.835571 334.5466 8.265747 335.0287 7.979065 335.5108 8.480164 335.9929 9.622467 336.4750 10.29709 336.9572 10.29022 337.4393 10.10202 337.9214 9.769501 338.4035 9.406647 338.8856 9.315887 339.3677 9.673309 339.8499 10.29959 340.3320 10.71780 340.8141 10.89389 341.2962 10.96030 341.7783 10.93487 342.2604 10.80039 342.7426 10.51749 343.2247 10.07932 343.7068 9.650604 344.1889 9.486877 344.6710 9.717865 345.1531 9.862762 345.6353 9.807190 346.1174 9.742523 346.5995 9.833832 347.0816 10.08551 347.5637 10.39703 348.0458 10.71295 348.5280 11.04071 349.0101 11.05103 349.4922 10.53293 349.9743 9.976257 350.4564 9.441284 350.9385 9.034393 351.4207 9.007721 351.9028 9.554138 352.3849 10.49579 352.8670 11.06720 353.3491 10.86270 353.8312 10.79227 354.3134 11.14435 354.7955 11.62024 355.2776 11.88348 355.7597 11.81409 356.2418 11.49066 356.7239 11.01724 357.2061 10.17612 357.6882 9.651642 358.1703 9.506531 358.6524 9.587616 359.1345 9.926331 359.6166 10.44559 360.0987 10.88483 360.5808 10.97580 361.0630 10.67468 361.5451 10.43405 362.0272 10.20575 362.5093 10.07794 362.9914 10.07523 363.4735 10.19986 363.9557 10.51166 364.4378 11.08145 364.9199 11.76685 365.4020 11.94421 365.8841 11.19559 366.3662 10.48245 366.8484 9.789856 367.3305 9.253052 367.8126 9.074341 368.2947 9.297516 368.7768 9.662048 369.2589 9.737701 369.7411 9.371246 370.2232 9.135010 370.7053 9.221313 371.1874 9.287628 371.6695 9.044678 372.1516 8.566742 372.6338 8.210541 373.1159 8.355957 373.5980 8.981354 374.0801 9.373749 374.5622 9.411194 375.0443 9.339813 375.5265 9.256165 376.0086 9.122314 376.4907 8.861145 376.9728 8.408966 377.4549 7.862823 377.9370 7.384644 378.4192 6.883087 378.9013 6.721558 379.3834 7.525208 379.8655 8.387054 380.3476 8.464355 380.8297 7.601776 381.3119 6.614868 381.7940 6.443207 382.2761 7.066467 382.7582 7.340424 383.2403 6.822083 383.7224 6.275055 384.2046 6.225250 384.6867 6.584595 385.1688 7.008392 385.6509 7.470825 386.1330 7.842651 386.6151 7.717773 387.0973 6.930725 387.5794 6.244385 388.0615 6.242859 388.5436 6.573608 389.0257 6.754883 389.5078 6.675232 389.9900 6.462006 390.4721 6.131622 390.9542 5.714569 391.4363 5.479279 391.9184 5.526367 392.4005 5.786713 392.8827 6.265350 393.3648 7.009277 393.8469 7.446991 394.3290 7.197205 394.8111 6.555603 395.2932 5.961090 395.7754 5.466888 396.2575 5.042053 396.7396 4.587494 397.2217 4.153503 397.7038 4.101563 398.1859 4.990662 398.6681 5.778931 399.1501 5.639191 399.6323 4.790741 400.1144 4.054718 400.5965 3.847198 401.0786 4.004852 401.5607 4.080109 402.0428 4.046173 402.5250 3.987732 403.0071 3.929596 403.4892 3.847321 403.9713 3.720734 404.4534 3.544922 404.9355 3.301880 405.4177 2.941254 405.8998 2.396637 406.3819 2.115631 406.8640 2.383728 407.3461 2.612579 407.8282 2.451721 408.3104 2.007263 408.7925 1.552612 409.2746 1.229370 409.7567 1.082062 410.2388 1.318756 410.7209 2.714905 411.2031 3.471466 411.6852 2.870392 412.1673 1.889160 412.6494 1.564667 413.1315 2.131805 413.6136 2.902740 414.0958 2.909790 414.5779 1.899780 415.0600 1.163361 415.5421 0.5560910 416.0242 0.3101810 416.5063 1.027802 416.9885 2.259247 417.4706 2.906433 417.9527 2.052979 418.4348 0.3279420 418.9169 4.3517999E-02 419.3990 1.650848 419.8812 3.011047 420.3633 3.175537 420.8454 2.788422 421.3275 2.312958 421.8096 1.849030 422.2917 1.521027 422.7739 1.533722 423.2560 1.866608 423.7381 2.091461 424.2202 2.128143 424.7023 2.089691 425.1844 2.003967 425.6666 1.875305 426.1487 1.825531 426.6308 1.923798 427.1129 2.129517 427.5950 2.345917 428.0771 2.517700 428.5593 3.053436 429.0414 4.598328 429.5235 6.411285 430.0056 6.888336 430.4877 5.514771 430.9698 4.024963 431.4520 3.203339 431.9341 2.887726 432.4162 2.856537 432.8983 3.068817 433.3804 3.203461 433.8625 2.851013 434.3447 1.923004 434.8268 1.227264 435.3089 0.8137210 435.7910 0.6176450 436.2731 0.7062680 436.7552 0.9974060 437.2374 1.277161 437.7195 1.440155 438.2016 1.461731 438.6837 1.246277 439.1658 0.3553470 439.6479 0.2107540 440.1301 0.2143550 440.6122 4.1931000E-02 441.0943 0.3510740 441.5764 0.6363830 442.0585 0.8301390 442.5406 0.8436890 443.0227 0.6434940 443.5049 0.4736330 443.9870 0.3114010 444.4691 0.2069090 444.9512 0.1572880 445.4333 0.1840820 445.9154 0.3606870 446.3976 0.7515870 446.8797 1.184357 447.3618 1.192810 447.8439 0.5234680 448.3260 0.1864930 448.8081 0.8029790 449.2903 1.488373 449.7724 1.642792 450.2545 1.259644 450.7366 0.7880250 451.2187 0.4661560 451.7008 0.3185730 452.1830 0.5895390 452.6651 1.546204 453.1472 2.259827 453.6293 1.931763 454.1114 1.069794 454.5935 0.3234560 455.0757 0.2477420 455.5578 0.5206910 456.0399 0.1682740 456.5220 0.6336980 457.0041 1.050140 457.4862 0.7183230 457.9684 0.1939090 458.4505 0.2916260 458.9326 1.008057 459.4147 1.502136 459.8968 1.413666 460.3789 1.199402 460.8611 1.272461 461.3432 1.608734 461.8253 1.935150 462.3074 2.072815 462.7895 2.087738 463.2716 2.239319 463.7538 2.866516 464.2359 3.176147 464.7180 2.809113 465.2001 2.224945 465.6822 1.916840 466.1643 1.962646 466.6465 2.082825 467.1286 1.955505 467.6107 1.537018 468.0928 1.218170 468.5749 1.186768 469.0570 1.051819 469.5392 0.5884400 470.0213 1.4221000E-02 470.5034 0.4653630 470.9855 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