#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-07-16 11:32:14 +0300 (Mon, 16 Jul 2018) $ #$Revision: 1265 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000562.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_1000562 loop_ _publ_author_name 'Rutt, H. N.' 'Nicola, J. H.' _publ_section_title ; Raman spectra of carbonates of calcite structure ; _journal_name_full 'Journal of Physics C Solid State Physics' _journal_page_first 4522 _journal_page_last 4528 _journal_volume 7 _journal_year 1974 _chemical_compound_source R150075 _chemical_formula_structural Ca(CO3) _chemical_formula_sum 'C Ca O3' _chemical_name_mineral Calcite _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 5.0492 _cell_length_b 5.0492 _cell_length_c 17.3430 _cell_volume 382.913 _exptl_crystal_density_diffrn 2.604 _cod_original_sg_symbol_H-M 'R -3 c' _cod_original_formula_sum 'Ca C O3' _cod_database_code 9007286 _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 1000562.rod _rod_data_source.block 1000562 _rod_database.code 1000562 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 9007286 COD http://www.crystallography.net/cod/9007286.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 94.45264 0.0000000E+00 94.93475 1.754517 95.41687 3.527344 95.89898 2.526367 96.38110 0.6008300 96.86321 1.193726 97.34533 4.643921 97.82745 8.152710 98.30956 10.77173 98.79168 11.77496 99.27380 11.70874 99.75591 10.88416 100.2380 9.689392 100.7201 8.886108 101.2023 8.381653 101.6844 7.994263 102.1665 8.497437 102.6486 10.14355 103.1307 13.02155 103.6128 16.55988 104.0950 20.82623 104.5771 25.76123 105.0592 30.77435 105.5413 32.50574 106.0234 33.72650 106.5055 34.36420 106.9877 35.12494 107.4698 40.02509 107.9519 53.28577 108.4340 63.25391 108.9161 63.35974 109.3982 54.83240 109.8804 43.75659 110.3625 33.52771 110.8446 23.65637 111.3267 16.60529 111.8088 14.07019 112.2909 12.57782 112.7731 11.20923 113.2552 9.900940 113.7373 8.310120 114.2194 5.867493 114.7015 0.8281860 115.1836 1.761108 115.6658 0.1088870 116.1479 3.036255 116.6300 5.033081 117.1121 4.925293 117.5942 3.465759 118.0763 2.345032 118.5584 1.722168 119.0406 1.072754 119.5227 1.8859999E-02 120.0048 1.228333 120.4869 2.188171 120.9690 2.782410 121.4511 2.818726 121.9333 2.426880 122.4154 2.271545 122.8975 0.6046140 123.3796 5.431396 123.8617 16.61090 124.3438 26.10297 124.8260 28.43793 125.3081 28.08655 125.7902 28.75653 126.2723 31.71246 126.7544 36.38837 127.2365 41.59619 127.7187 47.49768 128.2008 53.74622 128.6829 59.69366 129.1650 65.95587 129.6471 73.27551 130.1292 82.08264 130.6114 92.37378 131.0935 104.1051 131.5756 117.1435 132.0577 131.9642 132.5398 148.5786 133.0219 167.1270 133.5041 187.7397 133.9862 210.6241 134.4683 236.0748 134.9504 263.1690 135.4325 292.9634 135.9146 323.3160 136.3968 353.5814 136.8789 383.4432 137.3610 411.9296 137.8431 437.3970 138.3252 459.3038 138.8073 480.9648 139.2895 502.0532 139.7716 523.2087 140.2537 544.8866 140.7358 566.9401 141.2179 590.4192 141.7000 616.4980 142.1821 644.7487 142.6643 675.9769 143.1464 710.1891 143.6285 746.5839 144.1106 785.0933 144.5927 825.8510 145.0748 872.4093 145.5570 925.9645 146.0391 986.3524 146.5212 1053.216 147.0033 1126.690 147.4854 1206.942 147.9675 1293.690 148.4497 1382.376 148.9318 1482.523 149.4139 1598.818 149.8960 1732.148 150.3781 1884.933 150.8602 2057.897 151.3424 2249.035 151.8245 2472.821 152.3066 2735.854 152.7887 3022.820 153.2708 3334.865 153.7529 3669.302 154.2351 4011.440 154.7172 4325.381 155.1993 4663.691 155.6814 4894.995 156.1635 5019.149 156.6456 5034.471 157.1278 4928.234 157.6099 4691.203 158.0920 4343.003 158.5741 3958.906 159.0562 3492.795 159.5383 3047.065 160.0205 2638.423 160.5026 2268.867 160.9847 1941.744 161.4668 1662.511 161.9489 1430.846 162.4310 1233.255 162.9131 1076.845 163.3953 944.0579 163.8774 829.0635 164.3595 731.1773 164.8416 646.7962 165.3237 576.8367 165.8058 519.5846 166.2880 468.8923 166.7701 425.1426 167.2522 386.6068 167.7343 351.9770 168.2164 321.5233 168.6985 293.9496 169.1807 269.2667 169.6628 247.0317 170.1449 227.0561 170.6270 209.7066 171.1091 194.4350 171.5912 179.9892 172.0734 166.1912 172.5555 153.6010 173.0376 142.4802 173.5197 132.5833 174.0018 123.1720 174.4839 113.7914 174.9661 104.4496 175.4482 95.54715 175.9303 86.83896 176.4124 78.99078 176.8945 72.58331 177.3766 67.08319 177.8588 61.61301 178.3409 55.43655 178.8230 48.54901 179.3051 43.01959 179.7872 39.96628 180.2693 37.18472 180.7515 34.37225 181.2336 31.51285 181.7157 28.50745 182.1978 25.20172 182.6799 21.45865 183.1620 18.11383 183.6441 14.74637 184.1263 12.04498 184.6084 10.69162 185.0905 10.50378 185.5726 10.53378 186.0547 9.930634 186.5368 8.581116 187.0190 7.293091 187.5011 5.981689 187.9832 4.821655 188.4653 4.197113 188.9474 4.077454 189.4296 3.614838 189.9117 1.802887 190.3938 1.324249 190.8759 4.256622 191.3580 7.770508 191.8401 10.56772 192.3223 10.50464 192.8044 6.834595 193.2865 2.970673 193.7686 2.736847 194.2507 5.121155 194.7328 7.382507 195.2150 8.691956 195.6971 9.330627 196.1792 9.912231 196.6613 10.63052 197.1434 10.93686 197.6255 10.17130 198.1077 8.684387 198.5898 7.342102 199.0719 6.795013 199.5540 6.812256 200.0361 6.388214 200.5182 5.348633 201.0004 4.040222 201.4825 2.455444 201.9646 0.7546390 202.4467 0.6443480 202.9288 1.170502 203.4109 0.9187320 203.8930 1.578461 204.3752 4.211975 204.8573 6.714081 205.3394 8.452576 205.8215 9.432373 206.3036 9.790283 206.7857 9.494995 207.2679 8.497528 207.7500 7.820068 208.2321 7.384064 208.7142 7.369598 209.1963 7.883728 209.6784 8.894562 210.1606 10.34756 210.6427 12.31937 211.1248 14.94699 211.6069 16.78070 212.0890 17.16837 212.5711 17.45065 213.0533 18.03922 213.5354 18.98462 214.0175 20.27417 214.4996 22.02078 214.9817 24.46594 215.4638 25.51447 215.9460 23.62628 216.4281 22.02194 216.9102 22.49530 217.3923 24.88928 217.8744 27.88489 218.3565 30.43460 218.8387 32.54050 219.3208 33.43970 219.8029 31.92050 220.2850 30.32812 220.7671 30.14117 221.2492 31.36325 221.7314 33.01920 222.2135 34.23563 222.6956 35.00113 223.1777 36.47580 223.6598 39.42194 224.1419 42.51379 224.6240 44.73926 225.1062 46.06146 225.5883 46.99985 226.0704 47.59558 226.5525 48.08591 227.0346 49.85846 227.5167 54.47589 227.9989 59.49359 228.4810 62.35785 228.9631 62.89139 229.4452 63.22513 229.9273 64.81552 230.4094 67.41245 230.8916 70.31036 231.3737 73.41281 231.8558 76.75696 232.3379 80.54163 232.8200 84.85538 233.3021 88.96768 233.7843 91.88400 234.2664 94.40469 234.7485 97.84830 235.2306 103.1401 235.7127 108.9947 236.1948 113.4802 236.6770 116.2342 237.1591 119.2173 237.6412 123.3922 238.1233 128.4063 238.6054 134.0530 239.0875 140.3389 239.5697 147.1324 240.0518 154.2753 240.5339 161.9221 241.0160 169.5181 241.4981 177.3101 241.9802 184.7611 242.4624 191.0366 242.9445 195.5612 243.4266 199.6740 243.9087 205.7088 244.3908 214.1079 244.8729 223.2495 245.3550 232.8406 245.8372 242.7946 246.3193 252.9227 246.8014 263.1519 247.2835 273.8792 247.7656 286.1234 248.2477 300.3992 248.7299 314.4244 249.2120 327.1111 249.6941 339.7236 250.1762 353.0338 250.6583 367.5340 251.1404 383.6837 251.6226 402.3799 252.1047 424.3755 252.5868 446.6158 253.0689 467.9750 253.5510 490.0551 254.0331 513.9319 254.5153 539.8746 254.9974 567.8206 255.4795 597.6242 255.9616 627.9464 256.4437 663.5491 256.9258 704.6280 257.4080 749.5546 257.8901 797.6993 258.3722 848.8080 258.8543 903.0191 259.3364 960.1237 259.8185 1018.417 260.3007 1084.873 260.7828 1160.613 261.2649 1242.210 261.7470 1328.143 262.2291 1418.125 262.7112 1511.091 263.1934 1606.770 263.6755 1706.374 264.1576 1804.308 264.6397 1902.655 265.1218 1997.716 265.6039 2087.046 266.0861 2170.462 266.5682 2249.097 267.0503 2323.394 267.5324 2391.984 268.0145 2463.921 268.4966 2542.241 268.9788 2620.415 269.4609 2693.446 269.9430 2762.641 270.4251 2832.947 270.9072 2908.063 271.3893 2987.474 271.8715 3074.958 272.3536 3171.236 272.8357 3272.676 273.3178 3376.151 273.7999 3483.041 274.2820 3596.232 274.7642 3717.126 275.2463 3846.290 275.7284 3989.375 276.2105 4145.330 276.6926 4312.608 277.1747 4489.601 277.6568 4678.263 278.1389 4884.233 278.6211 5113.112 279.1032 5357.946 279.5853 5590.849 280.0674 5823.781 280.5495 6035.136 281.0316 6234.862 281.5138 6407.903 281.9959 6532.255 282.4780 6601.193 282.9601 6607.635 283.4422 6523.290 283.9243 6342.062 284.4065 6103.119 284.8886 5795.547 285.3707 5439.508 285.8528 5056.267 286.3349 4648.861 286.8170 4235.892 287.2992 3842.875 287.7813 3468.333 288.2634 3120.422 288.7455 2801.494 289.2276 2511.671 289.7097 2255.642 290.1919 2034.642 290.6740 1841.144 291.1561 1666.538 291.6382 1512.420 292.1203 1373.743 292.6024 1253.355 293.0846 1146.472 293.5667 1049.089 294.0488 960.2399 294.5309 880.9968 295.0130 813.7156 295.4951 759.0760 295.9773 706.9716 296.4594 655.1431 296.9415 607.1049 297.4236 566.6472 297.9057 533.6395 298.3878 503.2152 298.8700 472.0359 299.3521 440.7134 299.8342 412.1788 300.3163 387.1893 300.7984 364.6219 301.2805 344.1996 301.7627 325.7275 302.2448 307.9407 302.7269 289.9405 303.2090 272.3259 303.6911 256.5446 304.1732 242.7282 304.6554 230.1262 305.1375 218.8756 305.6196 208.6132 306.1017 198.3264 306.5838 187.5431 307.0659 176.7700 307.5481 167.0673 308.0302 158.3755 308.5123 150.4409 308.9944 143.5841 309.4765 137.3643 309.9586 131.1247 310.4408 124.7237 310.9229 118.2745 311.4050 111.7816 311.8871 105.1387 312.3692 99.46063 312.8513 95.71484 313.3335 92.70816 313.8156 88.89374 314.2977 84.03455 314.7798 79.06705 315.2619 74.79898 315.7440 71.20807 316.2262 67.80487 316.7083 64.55707 317.1904 61.47763 317.6725 58.51431 318.1546 55.67191 318.6367 53.26712 319.1188 51.87573 319.6010 51.03806 320.0831 48.72159 320.5652 43.13882 321.0473 37.88147 321.5294 35.31302 322.0115 34.81949 322.4937 34.17230 322.9758 32.32913 323.4579 29.73129 323.9400 27.58353 324.4221 26.07571 324.9042 24.50162 325.3864 22.46338 325.8685 20.20703 326.3506 18.13461 326.8327 16.34784 327.3148 14.86316 327.7969 13.80432 328.2791 13.24371 328.7612 12.59207 329.2433 11.81171 329.7254 10.85779 330.2075 9.577087 330.6896 7.942963 331.1718 6.316986 331.6539 5.040619 332.1360 4.151062 332.6181 3.377075 333.1002 2.890808 333.5823 2.385529 334.0645 1.425781 334.5466 0.1161190 335.0287 0.8088680 335.5108 0.7463840 335.9929 0.1579590 336.4750 0.7401890 336.9572 1.455017 337.4393 1.419846 337.9214 0.4046020 338.4035 3.286194 338.8856 5.478531 339.3677 6.157990 339.8499 5.697128 340.3320 4.964127 340.8141 3.638321 341.2962 2.648453 341.7783 2.155045 342.2604 2.128922 342.7426 2.701920 343.2247 3.896683 343.7068 5.125443 344.1889 5.495392 344.6710 4.436203 345.1531 4.298660 345.6353 6.315399 346.1174 8.410629 346.5995 8.892258 347.0816 7.704788 347.5637 5.891266 348.0458 4.267319 348.5280 2.821686 349.0101 1.904633 349.4922 1.618881 349.9743 1.585510 350.4564 1.886124 350.9385 2.384216 351.4207 2.740021 351.9028 2.712540 352.3849 2.328598 352.8670 1.904114 353.3491 1.644318 353.8312 1.301300 354.3134 0.5233920 354.7955 0.3157040 355.2776 0.5173340 355.7597 0.1666260 356.2418 0.9850920 356.7239 0.5683440 357.2061 2.314087 357.6882 4.137421 358.1703 4.123917 358.6524 3.530426 359.1345 3.038254 359.6166 2.830597 360.0987 2.994751 360.5808 3.690048 361.0630 5.034103 361.5451 5.890533 362.0272 5.943207 362.5093 5.818298 362.9914 5.471710 363.4735 5.141556 363.9557 5.262207 364.4378 6.122055 364.9199 7.500107 365.4020 8.483704 365.8841 9.027512 366.3662 9.183914 366.8484 8.659836 367.3305 7.926819 367.8126 7.308792 368.2947 6.950211 368.7768 7.010254 369.2589 7.927963 369.7411 10.33951 370.2232 11.84453 370.7053 11.87280 371.1874 11.45790 371.6695 10.86201 372.1516 10.26564 372.6338 9.965057 373.1159 10.33092 373.5980 11.33614 374.0801 11.99072 374.5622 11.86508 375.0443 11.92599 375.5265 12.73640 376.0086 13.85831 376.4907 14.60629 376.9728 14.61043 377.4549 14.14526 377.9370 13.76933 378.4192 13.44437 378.9013 13.33398 379.3834 13.79269 379.8655 14.29535 380.3476 14.31071 380.8297 13.74413 381.3119 13.22095 381.7940 13.61946 382.2761 14.91255 382.7582 15.51158 383.2403 14.85805 383.7224 13.85439 384.2046 13.03677 384.6867 12.40222 385.1688 11.87215 385.6509 11.34140 386.1330 10.91066 386.6151 10.92838 387.0973 11.57184 387.5794 12.01643 388.0615 11.49916 388.5436 10.55127 389.0257 9.885696 389.5078 9.585236 389.9900 9.681992 390.4721 10.60019 390.9542 12.16547 391.4363 12.90440 391.9184 12.02481 392.4005 10.47577 392.8827 9.451416 393.3648 8.934464 393.8469 8.956802 394.3290 10.02780 394.8111 11.47128 395.2932 12.23654 395.7754 12.15253 396.2575 11.41850 396.7396 10.06816 397.2217 8.234161 397.7038 6.805573 398.1859 5.787155 398.6681 5.249619 399.1501 5.531830 399.6323 6.354462 400.1144 6.759842 400.5965 6.206650 401.0786 5.004623 401.5607 4.122726 402.0428 3.706253 402.5250 3.467453 403.0071 3.292587 403.4892 3.088257 403.9713 2.945999 404.4534 2.962738 404.9355 3.032013 405.4177 2.963562 405.8998 2.740875 406.3819 2.308884 406.8640 1.194061 407.3461 0.2633820 407.8282 0.1315310 408.3104 0.5288090 408.7925 0.6760250 409.2746 4.1260000E-02 409.7567 1.060562 410.2388 1.235184 410.7209 0.9075620 411.2031 2.189728 411.6852 1.655991 412.1673 0.5734560 412.6494 0.2544400 413.1315 0.9517970 413.6136 1.784454 414.0958 1.439133 414.5779 0.5680850 415.0600 1.422623 415.5421 0.1849520 416.0242 1.184448 416.5063 2.116806 416.9885 2.564590 417.4706 2.544067 417.9527 1.919571 418.4348 0.9826510 418.9169 0.8161010 419.3990 1.909195 419.8812 2.673859 420.3633 2.269379 420.8454 1.538620 421.3275 1.275757 421.8096 1.692932 422.2917 2.290680 422.7739 2.523453 423.2560 2.438431 423.7381 2.775314 424.2202 3.959015 424.7023 5.059982 425.1844 5.283188 425.6666 4.837585 426.1487 4.471039 426.6308 4.629669 427.1129 4.992584 427.5950 5.085815 428.0771 4.886993 428.5593 4.520218 429.0414 3.916977 429.5235 3.278793 430.0056 3.065399 430.4877 3.529221 430.9698 3.836685 431.4520 3.304276 431.9341 2.377930 432.4162 2.018585 432.8983 2.511246 433.3804 3.247955 433.8625 3.494446 434.3447 3.156982 434.8268 3.121201 435.3089 3.712296 435.7910 4.367538 436.2731 4.750366 436.7552 4.869598 437.2374 4.868790 437.7195 4.842926 438.2016 4.733459 438.6837 4.321503 439.1658 2.835983 439.6479 2.047867 440.1301 2.501434 440.6122 3.458969 441.0943 4.324768 441.5764 4.935837 442.0585 5.388382 442.5406 5.837082 443.0227 6.362793 443.5049 6.292892 443.9870 4.823380 444.4691 3.590637 444.9512 3.137115 445.4333 3.257141 445.9154 3.579575 446.3976 3.927994 446.8797 4.318893 447.3618 4.890549 447.8439 5.878342 448.3260 6.353775 448.8081 5.649277 449.2903 4.728256 449.7724 4.125687 450.2545 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146.9900 1245.264 138.8983 1245.746 132.3138 1246.229 129.7704 1246.711 127.0320 1247.193 123.8509 1247.675 119.7032 1248.157 113.5151 1248.639 107.3554 1249.121 102.3334 1249.603 98.64685 1250.085 97.03613 1250.568 97.27844 1251.050 95.37112 1251.532 91.14346 1252.014 86.24005 1252.496 80.70523 1252.978 77.06616 1253.460 76.06564 1253.942 74.35544 1254.425 69.55670 1254.907 63.78717 1255.389 59.81192 1255.871 57.08133 1256.353 55.04208 1256.835 53.23318 1257.317 50.60431 1257.799 47.48981 1258.281 45.01312 1258.764 43.26657 1259.246 41.10107 1259.728 37.77927 1260.210 34.97794 1260.692 34.25253 1261.174 33.21130 1261.656 30.34235 1262.138 27.10355 1262.620 24.17682 1263.103 21.89188 1263.585 21.02194 1264.067 21.30359 1264.549 20.52274 1265.031 18.25793 1265.513 16.29373 1265.995 14.56799 1266.477 13.73257 1266.960 14.20615 1267.442 13.39612 1267.924 9.679779 1268.406 5.673462 1268.888 4.604889 1269.370 5.269073 1269.852 4.970428 1270.334 4.124207 1270.817 4.018402 1271.299 4.235718 1271.781 2.983215 1272.263 0.6413880 1272.745 0.1161500 1273.227 2.524048 1273.709 4.141266 1274.191 1.659088 1274.673 0.6336060 1275.156 0.2135930 1275.638 0.6920780 1276.120 0.5224610 1276.602 9.4025001E-02 1277.084 0.6599430 1277.566 1.785278 1278.048 1.829041 1278.530 0.6067200 1279.012 4.9469002E-02 1279.495 0.3309020 1279.977 0.8352970 1280.459 4.388245 1280.941 6.171570 1281.423 4.496490 1281.905 2.298248 1282.387 1.684113 1282.869 2.076721 1283.352 1.388214 1283.834 0.2554930 1284.316 8.0869999E-03 1284.798 0.0000000E+00 loop_ _rod_maintainer_comment.id _rod_maintainer_comment.author _rod_maintainer_comment.date _rod_maintainer_comment.text 1 elmendili 2018-07-16T11:32:12+0300 'journal reference changed'