#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-07-16 11:27:54 +0300 (Mon, 16 Jul 2018) $ #$Revision: 1262 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000516.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_1000516 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 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 1000516.rod _rod_data_source.block 1000516 _rod_database.code 1000516 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 93.15802 0.0000000E+00 93.64014 26.95117 94.12225 29.85327 94.60437 40.69531 95.08649 72.17529 95.56860 115.3569 96.05072 147.2278 96.53284 133.5803 97.01495 84.14478 97.49707 43.87769 97.97919 17.12939 98.46130 0.4775390 98.94342 8.251221 99.42554 8.669189 99.90765 5.945068 100.3898 1.282471 100.8719 9.217041 101.3540 12.00293 101.8361 8.707520 102.3182 4.758301 102.8004 0.8066410 103.2825 5.768311 103.7646 1.632568 104.2467 15.74390 104.7288 42.05518 105.2109 66.16821 105.6931 81.77563 106.1752 104.8066 106.6573 143.7896 107.1394 211.8411 107.6215 273.0686 108.1036 329.9485 108.5858 381.1511 109.0679 416.5823 109.5500 421.9714 110.0321 422.9546 110.5142 433.0098 110.9963 458.9001 111.4785 486.2305 111.9606 514.5676 112.4427 543.8464 112.9248 570.6382 113.4069 589.4656 113.8890 608.0583 114.3712 633.0420 114.8533 673.1328 115.3354 712.7012 115.8175 747.8867 116.2996 779.3496 116.7817 804.4077 117.2639 817.0000 117.7460 824.4561 118.2281 836.0571 118.7102 863.9292 119.1923 890.9258 119.6744 903.5762 120.1566 897.0435 120.6387 892.3691 121.1208 903.4302 121.6029 925.6660 122.0850 949.8184 122.5671 969.2588 123.0493 988.7666 123.5314 1015.735 124.0135 1055.815 124.4956 1091.914 124.9777 1100.744 125.4598 1088.681 125.9420 1079.748 126.4241 1091.368 126.9062 1116.442 127.3883 1141.494 127.8704 1161.597 128.3525 1183.189 128.8347 1217.417 129.3168 1264.019 129.7989 1314.102 130.2810 1360.254 130.7631 1403.790 131.2452 1452.010 131.7274 1505.446 132.2095 1565.383 132.6916 1633.795 133.1737 1711.031 133.6558 1799.924 134.1379 1905.613 134.6201 2028.110 135.1022 2164.874 135.5843 2312.322 136.0664 2472.112 136.5485 2655.323 137.0306 2868.604 137.5128 3092.240 137.9949 3312.796 138.4770 3533.313 138.9591 3739.250 139.4412 3928.220 139.9233 4098.182 140.4055 4251.627 140.8876 4382.003 141.3697 4502.886 141.8518 4636.431 142.3339 4781.938 142.8160 4939.601 143.2982 5108.614 143.7803 5283.678 144.2624 5481.008 144.7445 5693.316 145.2266 5931.119 145.7087 6205.227 146.1909 6513.591 146.6730 6868.094 147.1551 7273.264 147.6372 7717.142 148.1193 8230.813 148.6014 8799.506 149.0836 9434.481 149.5657 10197.58 150.0478 11042.71 150.5299 12035.62 151.0120 13210.07 151.4941 14515.43 151.9763 16048.46 152.4584 17842.15 152.9405 19879.25 153.4226 22102.66 153.9047 24775.59 154.3868 27459.74 154.8690 29916.02 155.3511 32645.06 155.8332 34583.42 156.3153 35594.14 156.7974 35674.78 157.2795 34824.25 157.7617 32540.97 158.2438 29591.95 158.7259 26531.10 159.2080 23140.45 159.6901 19981.31 160.1722 17204.18 160.6544 14809.23 161.1365 12730.63 161.6186 11002.77 162.1007 9568.352 162.5828 8333.192 163.0649 7348.238 163.5471 6508.545 164.0292 5782.791 164.5113 5169.605 164.9934 4635.179 165.4755 4179.822 165.9576 3787.598 166.4398 3444.314 166.9219 3156.592 167.4040 2902.092 167.8861 2671.178 168.3682 2462.242 168.8503 2274.008 169.3325 2109.480 169.8146 1964.202 170.2967 1833.099 170.7788 1716.108 171.2609 1609.297 171.7430 1512.310 172.2252 1425.339 172.7073 1341.659 173.1894 1251.659 173.6715 1159.973 174.1536 1079.667 174.6357 1021.730 175.1179 975.0718 175.6000 926.0376 176.0821 873.3521 176.5642 821.5200 177.0463 772.9751 177.5284 728.3853 178.0106 690.4263 178.4927 667.7744 178.9748 650.9238 179.4569 622.2412 179.9390 577.5684 180.4211 530.0840 180.9033 494.8101 181.3854 470.0361 181.8675 448.1685 182.3496 423.9893 182.8317 399.5371 183.3138 379.5986 183.7960 365.8228 184.2781 353.6924 184.7602 336.6079 185.2423 314.9512 185.7244 292.8936 186.2065 269.1001 186.6887 246.0444 187.1708 235.5029 187.6529 242.7544 188.1350 254.2998 188.6171 243.8862 189.0992 212.0181 189.5814 179.5674 190.0635 160.8975 190.5456 154.0112 191.0277 146.8516 191.5098 139.0435 191.9919 128.8677 192.4741 109.3267 192.9562 79.83594 193.4383 54.66602 193.9204 45.28076 194.4025 50.87158 194.8846 58.55664 195.3668 68.58887 195.8489 77.93750 196.3310 79.10645 196.8131 71.63574 197.2952 59.36621 197.7773 42.58838 198.2595 21.11475 198.7416 3.143066 199.2237 11.30273 199.7058 20.76953 200.1879 17.60400 200.6700 1.637207 201.1522 18.62158 201.6343 18.19775 202.1164 1.770996 202.5985 16.54346 203.0806 21.81494 203.5627 20.65723 204.0449 23.54492 204.5270 32.03467 205.0091 39.59473 205.4912 40.12695 205.9733 31.69629 206.4554 28.78516 206.9376 35.42139 207.4197 48.10547 207.9018 52.65186 208.3839 46.53418 208.8660 38.58643 209.3481 35.31152 209.8303 37.87354 210.3124 39.45703 210.7945 39.72070 211.2766 38.31006 211.7587 32.24902 212.2408 18.03271 212.7230 6.414063 213.2051 6.863770 213.6872 25.50879 214.1693 34.80664 214.6514 29.56543 215.1335 12.86816 215.6157 1.368652 216.0978 13.94434 216.5799 22.54834 217.0620 24.85547 217.5441 18.06738 218.0262 12.74365 218.5084 9.501953 218.9905 8.503418 219.4726 10.97705 219.9547 19.52930 220.4368 27.46777 220.9189 29.18115 221.4011 19.92627 221.8832 18.02930 222.3653 28.64697 222.8474 47.94727 223.3295 58.02734 223.8116 52.75049 224.2938 47.52490 224.7759 52.70410 225.2580 74.53857 225.7401 90.86279 226.2222 96.97656 226.7043 96.30566 227.1865 104.9912 227.6686 128.6792 228.1507 152.7964 228.6328 167.9360 229.1149 168.5288 229.5970 173.2622 230.0792 184.3701 230.5613 200.4756 231.0434 215.3809 231.5255 227.1406 232.0076 240.4058 232.4897 257.8022 232.9719 281.3418 233.4540 304.7617 233.9361 328.5669 234.4182 352.2725 234.9003 373.9380 235.3824 390.5337 235.8646 409.4556 236.3467 434.7964 236.8288 469.8623 237.3109 503.7412 237.7930 535.1543 238.2751 565.3359 238.7573 596.9995 239.2394 630.0840 239.7215 664.5112 240.2036 700.2305 240.6857 736.0122 241.1678 775.7681 241.6500 820.6772 242.1321 868.9233 242.6142 916.5298 243.0963 960.6406 243.5784 1008.019 244.0605 1061.269 244.5427 1122.599 245.0248 1185.297 245.5069 1251.079 245.9890 1317.911 246.4711 1379.554 246.9532 1432.857 247.4354 1487.322 247.9175 1544.811 248.3996 1603.259 248.8817 1672.993 249.3638 1756.454 249.8459 1849.987 250.3281 1946.777 250.8102 2046.093 251.2923 2150.537 251.7744 2261.984 252.2565 2379.215 252.7386 2503.928 253.2208 2635.100 253.7029 2774.461 254.1850 2926.989 254.6671 3093.051 255.1492 3272.033 255.6313 3460.606 256.1135 3655.447 256.5956 3876.033 257.0777 4121.132 257.5598 4389.072 258.0419 4678.044 258.5240 4985.470 259.0062 5312.642 259.4883 5656.417 259.9704 6007.871 260.4525 6415.594 260.9346 6881.218 261.4167 7395.552 261.8989 7949.517 262.3810 8539.624 262.8631 9166.253 263.3452 9827.737 263.8273 10533.25 264.3094 11249.12 264.7916 11997.74 265.2737 12738.49 265.7558 13448.74 266.2379 14128.91 266.7200 14765.50 267.2021 15366.25 267.6843 15925.79 268.1664 16415.40 268.6485 16821.09 269.1306 17184.14 269.6127 17523.91 270.0948 17828.95 270.5770 18157.03 271.0591 18514.84 271.5412 18897.85 272.0233 19295.15 272.5054 19690.15 272.9875 20129.56 273.4697 20639.69 273.9518 21224.87 274.4339 21877.67 274.9160 22590.84 275.3981 23371.52 275.8802 24258.62 276.3624 25238.12 276.8445 26330.07 277.3266 27551.44 277.8087 28905.12 278.2908 30357.65 278.7729 31919.90 279.2551 33562.98 279.7372 35229.02 280.2193 36947.82 280.7014 38530.99 281.1835 39980.00 281.6656 41289.96 282.1478 42132.72 282.6299 42509.29 283.1120 42387.02 283.5941 41674.80 284.0762 40357.63 284.5583 38622.59 285.0405 36426.48 285.5226 33814.41 286.0047 31164.71 286.4868 28456.34 286.9689 25790.26 287.4510 23262.26 287.9332 20875.64 288.4153 18685.63 288.8974 16774.35 289.3795 15100.70 289.8616 13588.83 290.3438 12240.74 290.8259 11040.69 291.3080 9984.943 291.7901 9075.059 292.2722 8260.524 292.7543 7545.756 293.2365 6915.509 293.7186 6346.549 294.2007 5843.758 294.6828 5391.558 295.1649 4982.016 295.6470 4616.423 296.1292 4286.077 296.6113 3997.555 297.0934 3739.486 297.5755 3490.481 298.0576 3250.437 298.5397 3029.824 299.0219 2836.488 299.5040 2665.035 299.9861 2506.688 300.4682 2360.457 300.9503 2226.394 301.4324 2105.337 301.9146 1996.819 302.3967 1893.407 302.8788 1790.546 303.3609 1690.407 303.8430 1598.755 304.3251 1517.771 304.8073 1441.648 305.2894 1359.776 305.7715 1277.728 306.2536 1206.779 306.7357 1163.780 307.2178 1129.831 307.7000 1085.442 308.1821 1028.128 308.6642 969.0679 309.1463 914.8896 309.6284 864.7178 310.1105 816.3359 310.5927 765.4678 311.0748 719.2979 311.5569 684.9434 312.0390 662.4229 312.5211 640.0200 313.0032 609.0396 313.4854 575.3999 313.9675 545.8755 314.4496 527.4697 314.9317 509.4268 315.4138 485.4883 315.8959 456.8677 316.3781 429.6929 316.8602 411.2070 317.3423 392.8047 317.8244 367.4492 318.3065 324.7324 318.7886 287.9673 319.2708 267.1069 319.7529 258.4863 320.2350 251.8657 320.7171 249.0977 321.1992 243.9727 321.6813 232.5337 322.1635 210.4912 322.6456 190.5688 323.1277 175.8423 323.6098 164.5430 324.0919 153.7119 324.5740 142.2041 325.0562 131.7432 325.5383 122.9697 326.0204 116.1675 326.5025 110.1006 326.9846 106.2871 327.4667 102.6348 327.9489 96.85889 328.4310 87.21094 328.9131 77.56885 329.3952 68.48779 329.8773 60.02832 330.3594 51.61279 330.8416 42.01074 331.3237 33.70703 331.8058 28.81738 332.2879 30.49854 332.7700 29.76709 333.2521 24.38379 333.7343 15.61133 334.2164 10.16650 334.6985 9.517090 335.1806 10.08496 335.6627 9.950195 336.1448 8.518066 336.6270 8.113281 337.1091 9.152344 337.5912 10.69629 338.0733 11.51123 338.5554 12.14746 339.0375 10.58252 339.5197 5.172852 340.0018 4.327637 340.4839 13.13818 340.9660 22.27588 341.4481 27.98389 341.9302 21.64697 342.4124 1.834961 342.8945 10.29883 343.3766 5.442871 343.8587 12.07617 344.3408 22.18896 344.8229 24.13525 345.3051 23.25244 345.7872 24.05225 346.2693 26.14258 346.7514 27.72217 347.2335 28.93555 347.7156 29.24756 348.1978 25.33984 348.6799 17.56592 349.1620 12.12256 349.6441 16.20459 350.1262 25.44238 350.6083 29.08789 351.0905 25.08447 351.5726 18.11865 352.0547 12.97119 352.5368 9.223633 353.0189 5.774414 353.5010 1.447266 353.9832 2.008301 354.4653 2.153320 354.9474 1.104492 355.4295 4.626465 355.9116 7.226563 356.3937 8.314941 356.8759 6.982910 357.3580 0.1030270 357.8401 7.050781 358.3222 9.644043 358.8043 8.416504 359.2864 6.182129 359.7686 1.255859 360.2507 2.366699 360.7328 0.6611330 361.2149 11.10742 361.6970 21.70947 362.1791 24.50537 362.6613 22.69092 363.1434 23.70166 363.6255 34.31494 364.1076 44.62891 364.5897 50.16064 365.0718 49.73389 365.5540 46.40869 366.0361 36.85547 366.5182 25.92529 367.0003 19.50391 367.4824 22.26025 367.9645 25.89160 368.4467 28.36914 368.9288 29.32129 369.4109 31.95996 369.8930 40.46338 370.3751 47.82861 370.8572 48.89502 371.3394 37.35107 371.8215 30.82764 372.3036 32.71045 372.7857 40.14502 373.2678 43.21729 373.7499 38.82471 374.2321 35.66602 374.7142 38.86670 375.1963 51.13086 375.6784 56.97852 376.1605 53.75732 376.6426 47.41113 377.1248 47.55176 377.6069 55.26758 378.0890 64.43848 378.5711 73.12402 379.0532 81.04980 379.5353 84.17236 380.0175 82.16504 380.4996 77.81592 380.9817 72.32324 381.4638 66.22900 381.9459 63.54980 382.4280 65.78760 382.9102 70.64551 383.3923 73.81543 383.8744 75.48340 384.3565 77.35010 384.8386 81.85352 385.3207 87.15674 385.8029 88.82861 386.2850 86.11035 386.7671 82.16016 387.2492 81.29053 387.7313 81.74268 388.2134 79.21436 388.6956 67.20703 389.1777 54.66016 389.6598 49.68896 390.1419 51.51367 390.6240 56.06445 391.1061 66.32666 391.5883 75.94824 392.0704 77.81494 392.5525 64.35449 393.0346 49.96680 393.5167 39.31738 393.9988 32.58887 394.4810 30.07617 394.9631 35.43408 395.4452 42.37793 395.9273 47.52539 396.4094 49.53857 396.8915 52.52881 397.3737 58.73779 397.8558 65.38281 398.3379 69.39893 398.8200 68.73633 399.3021 67.31836 399.7842 65.50098 400.2664 63.91162 400.7485 65.47705 401.2306 72.19336 401.7127 78.27637 402.1948 81.26562 402.6769 83.06836 403.1591 78.27979 403.6412 61.93506 404.1233 40.66357 404.6054 32.27100 405.0875 40.97217 405.5696 50.50635 406.0518 54.71436 406.5339 53.78320 407.0160 52.02539 407.4981 49.03906 407.9802 44.35449 408.4623 37.79102 408.9445 29.85889 409.4266 21.48779 409.9087 10.83350 410.3908 1.396973 410.8729 4.510254 411.3550 19.90527 411.8372 34.71484 412.3193 38.82080 412.8014 35.32227 413.2835 31.16602 413.7656 26.66162 414.2477 24.18311 414.7299 27.75537 415.2120 35.66016 415.6941 42.85986 416.1762 45.67969 416.6583 47.00439 417.1404 49.20752 417.6226 52.12354 418.1047 55.22852 418.5868 58.35156 419.0689 62.22217 419.5510 67.17432 420.0331 76.36328 420.5153 81.97314 420.9974 79.64307 421.4795 71.60791 421.9616 63.01709 422.4437 52.59180 422.9258 44.06885 423.4080 40.50684 423.8901 44.98145 424.3722 43.79102 424.8543 26.89746 425.3364 8.646484 425.8185 3.351074 426.3007 22.26025 426.7828 37.85156 427.2649 47.46924 427.7470 51.06396 428.2291 46.31543 428.7112 27.10938 429.1934 9.796387 429.6755 4.906250 430.1576 15.99170 430.6397 21.42334 431.1218 18.85986 431.6039 12.96289 432.0861 11.91748 432.5682 16.22021 433.0503 19.21191 433.5324 18.63232 434.0145 14.84668 434.4966 6.685547 434.9788 6.043457 435.4609 13.88721 435.9430 4.571289 436.4251 16.09521 436.9072 32.34033 437.3893 41.98047 437.8715 45.23340 438.3536 37.47803 438.8357 22.78564 439.3178 12.51123 439.7999 16.26660 440.2820 24.68896 440.7642 30.23926 441.2463 32.46680 441.7284 31.09668 442.2105 22.31885 442.6926 11.45703 443.1747 3.403809 443.6569 5.663574 444.1390 5.664063 444.6211 19.02197 445.1032 57.01514 445.5853 73.71094 446.0674 36.68652 446.5496 1.468262 447.0317 7.734863 447.5138 22.62744 447.9959 37.05566 448.4780 25.01465 448.9601 4.889160 449.4423 5.561035 449.9244 2.190918 450.4065 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1279.165 12.75488 1279.647 24.26855 1280.129 32.54199 1280.611 27.23145 1281.094 16.49023 1281.576 20.46680 1282.058 36.41016 1282.540 45.90527 1283.022 39.69531 1283.504 34.45117 1283.986 30.47363 1284.468 27.49512 1284.950 20.72949 1285.433 15.01953 1285.915 18.75488 1286.397 29.53906 1286.879 37.48730 1287.361 41.99707 1287.843 42.35254 1288.325 37.96973 1288.807 33.65137 1289.290 34.04004 1289.772 35.91797 1290.254 38.91113 1290.736 40.76562 1291.218 30.23047 1291.700 5.047852 1292.182 1.554688 1292.664 21.98438 1293.146 40.36035 1293.629 34.35254 1294.111 25.45801 1294.593 26.20117 1295.075 30.90137 1295.557 33.72656 1296.039 34.49609 1296.521 30.13770 1297.003 21.01270 1297.486 13.72363 1297.968 14.19824 1298.450 17.12305 1298.932 24.35840 1299.414 29.05859 1299.896 17.61621 1300.378 0.4882810 1300.860 4.746094 1301.343 14.01465 1301.825 0.0000000E+00 loop_ _rod_maintainer_comment.id _rod_maintainer_comment.author _rod_maintainer_comment.date _rod_maintainer_comment.text 1 elmendili 2018-07-16T11:27:53+0300 'journal reference changed'