#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-07-16 11:23:29 +0300 (Mon, 16 Jul 2018) $ #$Revision: 1259 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000485.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_1000485 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 R050127 _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 1000485.rod _rod_data_source.block 1000485 _rod_database.code 1000485 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 129.9852 0.0000000E+00 130.4673 7.846985 130.9494 2.940948 131.4316 0.2946170 131.9137 8.220642 132.3958 19.21594 132.8779 36.50439 133.3600 63.35956 133.8421 98.76147 134.3243 141.2756 134.8064 192.4739 135.2885 250.9009 135.7706 308.0641 136.2527 363.0587 136.7348 416.1753 137.2170 467.1344 137.6991 516.3938 138.1812 563.9075 138.6633 610.3154 139.1454 656.2554 139.6275 697.2741 140.1097 730.9429 140.5918 758.7554 141.0739 788.5048 141.5560 819.5831 142.0381 853.0156 142.5202 890.4001 143.0023 932.2877 143.4845 975.7785 143.9666 1019.938 144.4487 1065.099 144.9308 1112.022 145.4129 1160.825 145.8951 1211.348 146.3772 1264.470 146.8593 1317.451 147.3414 1376.349 147.8235 1441.051 148.3056 1511.159 148.7878 1590.676 149.2699 1680.228 149.7520 1779.839 150.2341 1887.855 150.7162 1998.485 151.1983 2124.880 151.6805 2272.673 152.1626 2445.102 152.6447 2626.810 153.1268 2830.538 153.6089 3043.337 154.0910 3242.756 154.5732 3467.457 155.0553 3645.588 155.5374 3758.727 156.0195 3818.565 156.5016 3786.828 156.9837 3634.774 157.4659 3389.668 157.9480 3106.947 158.4301 2760.090 158.9122 2411.968 159.3943 2090.432 159.8764 1793.178 160.3586 1530.490 160.8407 1309.024 161.3228 1125.000 161.8049 967.8086 162.2870 840.6780 162.7691 734.2422 163.2513 643.5513 163.7334 570.9056 164.2155 507.2479 164.6976 452.3575 165.1797 403.7743 165.6618 358.7030 166.1440 317.6953 166.6261 280.9071 167.1082 248.4825 167.5903 220.7939 168.0724 197.3317 168.5545 179.1380 169.0367 165.5951 169.5188 152.9100 170.0009 138.4186 170.4830 123.8114 170.9651 110.5999 171.4472 99.71332 171.9293 90.08060 172.4115 81.10803 172.8936 72.76120 173.3757 64.60074 173.8578 56.13126 174.3399 47.76562 174.8220 40.03857 175.3042 33.07092 175.7863 26.89505 176.2684 21.41379 176.7505 16.62155 177.2326 12.60529 177.7147 9.044434 178.1969 6.306915 178.6790 5.293213 179.1611 8.875305 179.6432 13.48477 180.1253 12.87796 180.6074 6.794250 181.0896 2.2705000E-02 181.5717 2.147400 182.0538 0.9646610 182.5359 0.4714970 183.0180 3.073761 183.5001 7.439026 183.9823 11.00620 184.4644 13.75046 184.9465 15.55594 185.4286 15.22968 185.9107 13.33731 186.3928 12.82623 186.8750 16.30884 187.3571 22.26459 187.8392 25.75937 188.3213 26.67197 188.8034 26.05286 189.2855 24.84821 189.7677 23.24921 190.2498 21.93677 190.7319 21.37100 191.2140 21.43280 191.6961 21.50571 192.1782 21.62582 192.6604 21.63184 193.1425 21.26273 193.6246 20.52182 194.1067 19.54581 194.5888 18.21643 195.0709 16.59872 195.5531 15.53571 196.0352 15.28342 196.5173 15.09048 196.9994 13.21127 197.4815 9.451141 197.9636 6.516449 198.4458 6.633453 198.9279 9.842529 199.4100 10.26428 199.8921 7.132874 200.3742 2.190308 200.8563 1.440369 201.3385 3.647980 201.8206 5.337097 202.3027 6.821625 202.7848 8.074615 203.2669 9.519653 203.7490 11.27133 204.2311 13.10294 204.7133 14.48694 205.1954 15.32233 205.6775 16.14752 206.1596 17.22025 206.6417 18.56796 207.1238 20.01498 207.6060 21.55743 208.0881 23.20505 208.5702 24.90485 209.0523 26.54520 209.5344 28.57700 210.0165 31.55637 210.4987 35.98227 210.9808 38.90555 211.4629 39.82037 211.9450 39.51511 212.4271 39.59009 212.9092 39.79636 213.3914 40.99298 213.8735 44.17828 214.3556 50.45816 214.8377 54.25549 215.3198 54.71231 215.8019 53.01913 216.2841 51.75781 216.7662 50.41760 217.2483 50.54404 217.7304 53.37872 218.2125 60.24988 218.6946 65.45743 219.1768 68.41608 219.6589 69.86765 220.1410 71.68521 220.6231 73.85022 221.1052 76.43649 221.5873 79.71951 222.0695 84.31348 222.5516 87.71939 223.0337 89.46472 223.5158 90.18405 223.9979 91.48257 224.4800 93.44858 224.9622 95.81616 225.4443 98.44699 225.9264 101.3543 226.4085 104.5323 226.8906 107.9628 227.3727 111.6701 227.8549 115.9663 228.3370 121.1350 228.8191 126.3629 229.3012 131.4175 229.7833 136.3357 230.2654 140.7921 230.7476 144.2266 231.2297 147.3947 231.7118 152.0296 232.1939 158.5532 232.6760 165.8425 233.1581 173.6793 233.6402 182.4180 234.1224 190.5667 234.6045 198.0873 235.0866 205.0780 235.5687 211.4522 236.0508 215.7619 236.5329 221.8384 237.0151 231.7361 237.4972 247.3373 237.9793 260.7313 238.4614 270.7437 238.9435 278.7982 239.4256 288.3665 239.9078 299.8839 240.3899 312.5533 240.8720 326.3256 241.3541 342.0370 241.8362 355.2808 242.3183 364.5654 242.8005 372.4714 243.2826 383.7274 243.7647 399.4709 244.2468 416.6522 244.7289 434.2660 245.2110 452.3378 245.6932 469.9531 246.1753 486.1861 246.6574 502.9208 247.1395 523.2396 247.6216 548.3866 248.1037 574.5116 248.5859 600.1240 249.0680 624.2115 249.5501 651.6773 250.0322 683.2615 250.5143 717.6159 250.9964 752.8599 251.4786 788.4570 251.9607 826.0792 252.4428 866.2336 252.9249 908.3400 253.4070 954.7832 253.8891 1005.741 254.3713 1060.765 254.8534 1119.443 255.3355 1180.508 255.8176 1247.050 256.2997 1319.933 256.7818 1398.248 257.2639 1483.712 257.7461 1576.043 258.2282 1676.869 258.7103 1786.086 259.1924 1903.372 259.6745 2031.810 260.1566 2169.288 260.6388 2317.531 261.1209 2476.257 261.6030 2646.333 262.0851 2827.912 262.5672 3020.892 263.0493 3232.421 263.5315 3441.517 264.0136 3645.252 264.4957 3842.951 264.9778 4037.048 265.4599 4225.048 265.9420 4411.084 266.4242 4596.565 266.9063 4785.414 267.3884 4966.235 267.8705 5134.518 268.3526 5292.896 268.8347 5460.453 269.3169 5639.261 269.7990 5819.721 270.2811 5995.896 270.7632 6164.146 271.2453 6338.495 271.7274 6522.262 272.2096 6713.206 272.6917 6910.667 273.1738 7114.792 273.6559 7330.481 274.1380 7561.198 274.6201 7810.271 275.1023 8065.966 275.5844 8326.522 276.0665 8592.923 276.5486 8880.517 277.0307 9190.603 277.5128 9510.910 277.9950 9840.028 278.4771 10179.62 278.9592 10510.14 279.4413 10842.78 279.9234 11155.86 280.4055 11420.19 280.8877 11642.77 281.3698 11778.17 281.8519 11812.24 282.3340 11744.89 282.8161 11556.74 283.2982 11242.93 283.7804 10817.27 284.2625 10287.07 284.7446 9648.104 285.2267 8971.022 285.7088 8262.982 286.1909 7533.295 286.6731 6843.785 287.1552 6192.863 287.6373 5586.337 288.1194 5039.999 288.6015 4550.670 289.0836 4109.680 289.5658 3717.920 290.0479 3371.900 290.5300 3060.421 291.0121 2786.757 291.4942 2542.832 291.9763 2324.739 292.4585 2133.029 292.9406 1958.812 293.4227 1802.867 293.9048 1663.081 294.3869 1537.860 294.8690 1426.797 295.3512 1327.003 295.8333 1236.384 296.3154 1154.637 296.7975 1077.330 297.2796 1003.718 297.7617 935.6813 298.2439 878.2857 298.7260 831.2918 299.2081 787.8577 299.6902 742.7261 300.1723 698.4019 300.6544 658.4356 301.1366 624.5582 301.6187 593.3743 302.1008 559.7374 302.5829 525.2126 303.0650 494.3479 303.5471 472.5813 304.0293 455.4926 304.5114 436.5810 304.9935 414.7444 305.4756 392.8231 305.9577 372.6019 306.4398 354.0371 306.9220 336.8648 307.4041 321.7071 307.8862 307.3821 308.3683 291.5745 308.8504 274.2573 309.3326 258.4224 309.8147 247.9492 310.2968 240.3541 310.7789 231.7452 311.2610 219.2098 311.7431 206.1848 312.2252 195.1696 312.7073 186.1333 313.1895 177.8488 313.6716 170.0737 314.1537 162.5157 314.6358 155.0509 315.1179 146.9942 315.6000 139.3791 316.0822 133.0723 316.5643 127.8683 317.0464 122.5554 317.5285 116.2908 318.0106 109.8865 318.4927 103.9133 318.9749 98.34680 319.4570 93.31531 319.9391 89.07333 320.4212 85.41751 320.9033 81.75620 321.3854 77.99515 321.8676 74.15256 322.3497 70.29083 322.8318 66.65668 323.3139 62.38968 323.7960 56.10889 324.2781 49.36557 324.7603 44.29514 325.2424 43.19275 325.7245 42.10715 326.2066 39.92545 326.6887 36.42059 327.1708 32.58810 327.6530 26.70688 328.1351 21.32379 328.6172 18.71664 329.0993 23.51038 329.5814 26.20874 330.0635 24.51520 330.5457 18.56772 331.0278 14.48108 331.5099 13.35794 331.9920 13.33817 332.4741 13.31348 332.9562 13.27283 333.4384 13.07797 333.9205 12.65701 334.4026 11.89746 334.8847 10.68094 335.3668 8.693909 335.8489 6.869965 336.3311 5.899841 336.8132 6.660828 337.2953 5.721313 337.7774 2.086456 338.2595 2.582947 338.7416 4.718658 339.2238 3.593658 339.7059 2.080292 340.1880 1.251740 340.6701 1.189178 341.1522 0.6882930 341.6343 0.5755310 342.1165 1.788635 342.5986 1.787506 343.0807 0.3701170 343.5628 1.507782 344.0449 3.781311 344.5270 6.126862 345.0092 7.646973 345.4913 8.405396 345.9734 8.610107 346.4555 8.010071 346.9376 6.689484 347.4197 5.705261 347.9019 5.334839 348.3840 5.269928 348.8661 5.173523 349.3482 5.038635 349.8303 4.469574 350.3124 2.225220 350.7946 0.6637270 351.2767 1.065735 351.7588 1.779266 352.2409 5.240173 352.7230 6.558289 353.2051 6.084351 353.6873 4.813080 354.1694 1.424744 354.6515 1.725342 355.1336 0.4214170 355.6157 5.560303 356.0978 10.77301 356.5800 9.888794 357.0621 5.748016 357.5442 2.580872 358.0263 2.395081 358.5084 3.160217 358.9905 3.696686 359.4727 4.037048 359.9548 4.152100 360.4369 3.928406 360.9190 3.495270 361.4011 2.870300 361.8832 1.724091 362.3654 1.022858 362.8475 1.855957 363.3296 3.513916 363.8117 4.378906 364.2938 3.275391 364.7759 1.712036 365.2581 0.1444700 365.7402 1.596954 366.2223 2.322021 366.7044 0.7340390 367.1865 1.589966 367.6686 2.943634 368.1508 2.520508 368.6329 1.758392 369.1150 0.6970520 369.5971 0.6724240 370.0792 1.562225 370.5613 1.992828 371.0435 1.933960 371.5256 1.273743 372.0077 1.393768 372.4898 2.442566 372.9719 1.128143 373.4540 1.844482 373.9361 4.333618 374.4182 6.364410 374.9004 7.850189 375.3825 8.650879 375.8646 8.579559 376.3467 8.717010 376.8288 9.347595 377.3109 9.839935 377.7931 8.982697 378.2752 6.331268 378.7573 4.297455 379.2394 3.752930 379.7215 4.464447 380.2036 4.653748 380.6858 4.242218 381.1679 3.746979 381.6500 3.876434 382.1321 4.534180 382.6142 4.462494 383.0963 3.167953 383.5785 1.409485 384.0606 0.5231320 384.5427 0.5074010 385.0248 1.006546 385.5069 2.242752 385.9890 3.807098 386.4712 4.596237 386.9533 4.415619 387.4354 4.096146 387.9175 5.039124 388.3996 6.561401 388.8817 7.103348 389.3639 4.943054 389.8460 2.109131 390.3281 0.3211980 390.8102 0.3813630 391.2923 2.3224000E-02 391.7744 2.490143 392.2566 5.671204 392.7387 8.218979 393.2208 10.10770 393.7029 10.81479 394.1850 9.098083 394.6671 5.886444 395.1493 3.626434 395.6314 3.912354 396.1135 4.854904 396.5956 5.436981 397.0777 5.437347 397.5598 5.836975 398.0420 7.653076 398.5241 9.689606 399.0062 10.56059 399.4883 7.946945 399.9704 6.320648 400.4525 7.451340 400.9347 11.22925 401.4168 12.98776 401.8989 10.71629 402.3810 8.173660 402.8631 7.744385 403.3452 11.21234 403.8274 13.34570 404.3095 13.55910 404.7916 12.54065 405.2737 11.64209 405.7558 10.62976 406.2379 10.26343 406.7201 11.12064 407.2022 13.29050 407.6843 14.53764 408.1664 14.77795 408.6485 14.45541 409.1306 13.72784 409.6128 12.54582 410.0949 12.06151 410.5770 12.89514 411.0591 14.54134 411.5412 15.63309 412.0233 16.24046 412.5055 16.42883 412.9876 16.14734 413.4697 15.29630 413.9518 13.96051 414.4339 12.38860 414.9160 11.12241 415.3982 10.02493 415.8803 9.358521 416.3624 9.973770 416.8445 14.57687 417.3266 19.24254 417.8087 19.53949 418.2909 15.66159 418.7730 11.63342 419.2551 8.914627 419.7372 7.782166 420.2193 8.797531 420.7014 14.10071 421.1836 18.32030 421.6657 18.35011 422.1478 15.68120 422.6299 13.63661 423.1120 14.09946 423.5941 14.62880 424.0763 13.77438 424.5584 10.74794 425.0405 9.081131 425.5226 10.31352 426.0047 12.69334 426.4868 14.46309 426.9690 15.51414 427.4511 16.11389 427.9332 16.07883 428.4153 15.51189 428.8974 15.02715 429.3795 14.43639 429.8617 14.07994 430.3438 14.37114 430.8259 15.73344 431.3080 16.90642 431.7901 17.80998 432.2722 18.33917 432.7544 18.48013 433.2365 18.27014 433.7186 17.26132 434.2007 14.89340 434.6828 11.68948 435.1649 9.551178 435.6470 8.484787 436.1292 8.411621 436.6113 9.602341 437.0934 11.79318 437.5755 14.12187 438.0576 16.69562 438.5397 18.82179 439.0219 19.44290 439.5040 18.90291 439.9861 18.18233 440.4682 17.67387 440.9503 17.16881 441.4324 16.45813 441.9146 15.57520 442.3967 14.72928 442.8788 13.89209 443.3609 13.28625 443.8430 13.15034 444.3251 14.00310 444.8073 14.57669 445.2894 14.07529 445.7715 12.99071 446.2536 12.47762 446.7357 13.57828 447.2178 14.46088 447.7000 14.24193 448.1821 12.54973 448.6642 11.25371 449.1463 10.76804 449.6284 10.68376 450.1105 10.46701 450.5927 9.489182 451.0748 9.357254 451.5569 10.69067 452.0390 12.91219 452.5211 13.77943 453.0032 12.95930 453.4854 11.79089 453.9675 11.07597 454.4496 10.86819 454.9317 9.597000 455.4138 6.933472 455.8959 4.270615 456.3781 3.203018 456.8602 3.617798 457.3423 4.993561 457.8244 7.911163 458.3065 11.19690 458.7886 12.22017 459.2708 11.09657 459.7529 9.322495 460.2350 7.239929 460.7171 5.421600 461.1992 4.849289 461.6813 5.746033 462.1635 6.894577 462.6456 7.489883 463.1277 7.728287 463.6098 7.916595 464.0919 8.370209 464.5740 8.669022 465.0562 8.525879 465.5383 7.980728 466.0204 7.451736 466.5025 7.101807 466.9846 6.755371 467.4667 6.294022 467.9489 5.568329 468.4310 5.059647 468.9131 4.623047 469.3952 4.489502 469.8773 5.058975 470.3594 6.900055 470.8416 8.395004 471.3237 9.413101 471.8058 9.898895 472.2879 9.124451 472.7700 6.466324 473.2521 4.079239 473.7343 3.853806 474.2164 6.034851 474.6985 6.476440 475.1806 4.452591 475.6627 1.781387 476.1448 0.9246520 476.6270 1.696945 477.1091 3.385162 477.5912 6.789230 478.0733 10.34189 478.5554 10.40031 479.0375 7.259216 479.5197 4.232803 480.0018 3.768478 480.4839 4.601196 480.9660 5.417725 481.4481 6.014862 481.9302 6.571091 482.4124 6.996964 482.8945 7.478760 483.3766 8.334869 483.8587 10.39844 484.3408 12.15118 484.8229 13.16078 485.3051 13.38745 485.7872 12.69884 486.2693 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1283.690 8.485626 1284.172 5.776978 1284.654 4.145721 1285.136 5.083160 1285.618 6.786591 1286.100 6.782471 1286.583 5.818146 1287.065 5.108429 1287.547 4.694092 1288.029 3.360748 1288.511 0.5281370 1288.993 0.8907780 1289.475 0.2405090 1289.957 1.231964 1290.440 2.756836 1290.922 3.898956 1291.404 4.241699 1291.886 3.761353 1292.368 2.454742 1292.850 5.5298001E-02 1293.332 0.2332760 1293.814 2.202271 1294.297 4.607941 1294.779 4.083832 1295.261 3.446350 1295.743 5.660675 1296.225 4.342133 1296.707 7.787354 1297.189 3.669067 1297.671 0.9928890 1298.153 0.6806340 1298.635 1.615753 1299.118 5.514343 1299.600 7.472809 1300.082 5.109375 1300.564 1.494537 1301.046 1.077393 1301.528 2.911438 1302.010 4.627747 1302.492 5.923401 1302.975 6.262085 1303.457 4.889923 1303.939 3.242096 1304.421 1.282013 1304.903 2.1149000E-02 1305.385 0.0000000E+00 loop_ _rod_maintainer_comment.id _rod_maintainer_comment.author _rod_maintainer_comment.date _rod_maintainer_comment.text 1 elmendili 2018-07-16T11:23:27+0300 'Journal reference changed'