#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:15:23 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1033 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000488.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_1000488 loop_ _publ_author_name 'Drits, V. A.' 'McCarty, D. K.' 'Sakharov, B.' 'Milliken, K. L.' _publ_section_title ; New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: "Ankerite" ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 1255 _journal_page_last 1290 _journal_paper_doi 10.2113/gscanmin.43.4.1255 _journal_volume 43 _journal_year 2005 _chemical_compound_source R050197 _chemical_formula_sum 'C2 Ca Fe0.33 Mg0.67 O6' _chemical_name_mineral Dolomite _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 4.8170 _cell_length_b 4.8170 _cell_length_c 16.0794 _cell_volume 323.113 _exptl_crystal_density_diffrn 3.004 _cod_original_cell_volume 323.112 _cod_original_sg_symbol_H-M 'R -3' _cod_original_formula_sum 'Ca (Mg.67 Fe.33) C2 O6' _cod_database_code 9004934 _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 R050197.rod _rod_data_source.block 3500000 _rod_database.code 1000488 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 9004934 COD http://www.crystallography.net/cod/9004934.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 146.8082 0.0000000E+00 147.2903 2.5749000E-02 147.7724 0.1717680 148.2546 0.2364880 148.7367 0.5938260 149.2188 1.620613 149.7009 3.365883 150.1830 5.737953 150.6651 8.205475 151.1473 10.57523 151.6294 13.07927 152.1115 15.84931 152.5936 19.12581 153.0757 22.37697 153.5578 25.46069 154.0400 28.32616 154.5221 31.40451 155.0042 34.79808 155.4863 38.37009 155.9684 41.99728 156.4505 45.81301 156.9327 49.55432 157.4148 53.05485 157.8969 56.22278 158.3790 59.73975 158.8611 63.89405 159.3432 68.45121 159.8254 73.17042 160.3075 77.56219 160.7896 82.44292 161.2717 88.34032 161.7538 95.50037 162.2359 102.4386 162.7181 108.4711 163.2002 114.0012 163.6823 119.5928 164.1644 125.8264 164.6465 131.9100 165.1286 137.5292 165.6108 142.7621 166.0929 147.1399 166.5750 150.5463 167.0571 153.0114 167.5392 154.5100 168.0213 155.1673 168.5035 154.8811 168.9856 153.5440 169.4677 151.0467 169.9498 147.6725 170.4319 143.2586 170.9140 137.7587 171.3962 131.5680 171.8783 124.9837 172.3604 118.1355 172.8425 110.9763 173.3246 103.6226 173.8067 96.27354 174.2889 88.83476 174.7710 81.45085 175.2531 74.69860 175.7352 69.12356 176.2173 64.13602 176.6994 59.14406 177.1816 54.10909 177.6637 49.22368 178.1458 44.79668 178.6279 40.84429 179.1100 37.33190 179.5921 34.12490 180.0743 31.19228 180.5564 28.55858 181.0385 26.27896 181.5206 24.13858 182.0027 21.79853 182.4848 19.33493 182.9670 17.20522 183.4491 15.98299 183.9312 15.38145 184.4133 14.59440 184.8954 13.37438 185.3775 11.93120 185.8597 10.53501 186.3418 9.201424 186.8239 8.051170 187.3060 7.358940 187.7881 6.996696 188.2702 6.419975 188.7523 5.401535 189.2345 4.152664 189.7166 3.135048 190.1987 2.341652 190.6808 1.735237 191.1629 1.389084 191.6451 1.261215 192.1272 0.9819870 192.6093 0.3805470 193.0914 0.4009020 193.5735 0.9363940 194.0556 1.220398 194.5378 1.335159 195.0199 1.267029 195.5020 1.028297 195.9841 0.9467320 196.4662 1.187805 196.9483 1.643028 197.4305 1.802063 197.9126 1.616272 198.3947 1.364494 198.8768 1.365181 199.3589 1.634872 199.8410 1.843437 200.3232 1.898109 200.8053 1.823669 201.2874 1.744324 201.7695 1.645729 202.2516 1.586922 202.7337 1.661980 203.2159 1.892761 203.6980 2.059868 204.1801 2.086395 204.6622 1.849655 205.1443 1.633270 205.6264 1.397659 206.1086 1.247559 206.5907 1.380951 207.0728 1.891136 207.5549 2.179268 208.0370 2.042892 208.5191 1.511826 209.0013 1.074989 209.4834 0.7352750 209.9655 0.4843520 210.4476 0.3460080 210.9297 0.3679120 211.4118 0.3179090 211.8940 0.1151120 212.3761 0.2352830 212.8582 0.5011220 213.3403 0.6630780 213.8224 0.7725980 214.3045 0.8435520 214.7867 0.7971730 215.2688 0.9674680 215.7509 1.538879 216.2330 2.502914 216.7151 3.062454 217.1972 3.037254 217.6794 2.852379 218.1615 2.987419 218.6436 3.585930 219.1257 4.126900 219.6078 4.485558 220.0899 4.663353 220.5721 4.793266 221.0542 4.837234 221.5363 4.879211 222.0184 5.008057 222.5005 5.244331 222.9826 5.526985 223.4648 5.882339 223.9469 6.317360 224.4290 6.546021 224.9111 6.422417 225.3932 6.263977 225.8753 6.403580 226.3575 6.972244 226.8396 7.559647 227.3217 8.082596 227.8038 8.545403 228.2859 8.994827 228.7680 9.420143 229.2502 9.845612 229.7323 10.27791 230.2144 10.68422 230.6965 11.17722 231.1786 11.80624 231.6607 12.57138 232.1429 13.27099 232.6250 13.85387 233.1071 14.42901 233.5892 15.09766 234.0713 15.92309 234.5534 16.71302 235.0356 17.41875 235.5177 18.03840 235.9998 18.69366 236.4819 19.43590 236.9640 20.16592 237.4461 20.78056 237.9283 21.15082 238.4104 21.65675 238.8925 22.34718 239.3746 23.22404 239.8567 24.27168 240.3388 25.66326 240.8210 27.03149 241.3031 28.05327 241.7852 28.46577 242.2673 29.05983 242.7494 29.95149 243.2315 31.12786 243.7137 32.38103 244.1958 33.73176 244.6779 35.13992 245.1600 36.58743 245.6421 38.09715 246.1242 39.59837 246.6064 41.04803 247.0885 42.46530 247.5706 44.02153 248.0527 45.73241 248.5348 47.54127 249.0169 49.40860 249.4990 51.40858 249.9812 53.32473 250.4633 55.00226 250.9454 56.53258 251.4275 58.48938 251.9096 61.01283 252.3917 63.78378 252.8739 66.60707 253.3560 69.53453 253.8381 72.43931 254.3202 75.18221 254.8023 77.88634 255.2844 81.05804 255.7666 84.94398 256.2487 88.93475 256.7308 92.54387 257.2129 95.36810 257.6950 98.93818 258.1772 103.5687 258.6593 108.8922 259.1414 114.0083 259.6235 118.7711 260.1056 123.6291 260.5877 128.8959 261.0699 134.6020 261.5520 140.4279 262.0341 146.4733 262.5162 152.5927 262.9983 158.5323 263.4804 164.0297 263.9626 169.8465 264.4447 176.2658 264.9268 183.4071 265.4089 190.7720 265.8910 198.4929 266.3731 206.4516 266.8553 214.5969 267.3374 222.8765 267.8195 231.3104 268.3016 239.6860 268.7837 248.0740 269.2658 256.7221 269.7480 265.5842 270.2301 274.7911 270.7122 284.5149 271.1943 294.9488 271.6764 305.0749 272.1585 314.1647 272.6407 322.2109 273.1228 331.2414 273.6049 341.5643 274.0870 352.1374 274.5691 361.8043 275.0512 370.3389 275.5334 378.8162 276.0155 387.7233 276.4976 396.9271 276.9797 404.8630 277.4618 411.3023 277.9439 417.0974 278.4261 423.2964 278.9081 430.0203 279.3903 435.7780 279.8724 440.1984 280.3545 443.3502 280.8366 445.5927 281.3187 446.8529 281.8008 447.5676 282.2830 448.2393 282.7651 448.8859 283.2472 448.6442 283.7293 447.3505 284.2114 445.0741 284.6935 441.9966 285.1757 438.0875 285.6578 433.5481 286.1399 428.5393 286.6220 423.0450 287.1041 416.8215 287.5862 409.7031 288.0684 401.9941 288.5505 394.6016 289.0326 387.4970 289.5147 379.8539 289.9968 370.8896 290.4789 360.7887 290.9611 351.0208 291.4432 341.7899 291.9253 332.4951 292.4074 322.2176 292.8895 310.9541 293.3716 299.6481 293.8538 288.6499 294.3359 277.9080 294.8180 267.2097 295.3001 256.6349 295.7822 246.1807 296.2643 235.8861 296.7465 225.7726 297.2286 215.7707 297.7107 205.5324 298.1928 195.3379 298.6749 185.9629 299.1570 177.3785 299.6392 169.2803 300.1213 161.7288 300.6034 154.5277 301.0855 147.4818 301.5676 140.4176 302.0497 133.4427 302.5319 126.7556 303.0140 120.3066 303.4961 114.2353 303.9782 108.6689 304.4603 103.5296 304.9424 98.42966 305.4246 93.16733 305.9067 88.08013 306.3888 83.64439 306.8709 79.81036 307.3530 76.21867 307.8351 72.74557 308.3173 69.36977 308.7994 66.05458 309.2815 62.73332 309.7636 59.54871 310.2457 56.62886 310.7278 53.91832 311.2100 51.34928 311.6921 48.85327 312.1742 46.46959 312.6563 44.29278 313.1384 42.35237 313.6205 40.59184 314.1027 39.07085 314.5848 37.67539 315.0669 36.19403 315.5490 34.28440 316.0311 32.44143 316.5132 31.03883 316.9954 30.13518 317.4775 29.34331 317.9596 28.53722 318.4417 27.73138 318.9238 26.92880 319.4059 26.24663 319.8881 25.48108 320.3702 24.46896 320.8523 23.21895 321.3344 22.15014 321.8165 21.52164 322.2986 21.04841 322.7808 20.51316 323.2629 19.81966 323.7450 19.10198 324.2271 18.36335 324.7092 17.62540 325.1913 16.94946 325.6735 16.40860 326.1556 15.89921 326.6377 15.36834 327.1198 14.72904 327.6019 14.13571 328.0840 13.61069 328.5662 13.16178 329.0483 12.77190 329.5304 12.51706 330.0125 12.23561 330.4946 11.84978 330.9767 11.26629 331.4589 10.88005 331.9410 10.83331 332.4231 10.89980 332.9052 10.77303 333.3873 10.33652 333.8694 9.895653 334.3516 9.522369 334.8337 9.209633 335.3158 8.895401 335.7979 8.589554 336.2800 8.293251 336.7621 8.009712 337.2443 7.725647 337.7264 7.440948 338.2085 7.158768 338.6906 6.884148 339.1727 6.611053 339.6548 6.349434 340.1370 6.112434 340.6191 5.830528 341.1012 5.432175 341.5833 5.234833 342.0654 5.420052 342.5475 5.732956 343.0297 5.422348 343.5118 4.389748 343.9939 3.443054 344.4760 3.102135 344.9581 3.328186 345.4402 3.494072 345.9224 3.602699 346.4045 3.582718 346.8866 3.226833 347.3687 2.552593 347.8508 1.972717 348.3329 1.702362 348.8151 1.653381 349.2972 1.581795 349.7793 1.489582 350.2614 1.371849 350.7435 1.210495 351.2256 1.022747 351.7078 0.8531490 352.1899 0.7271160 352.6720 0.6199000 353.1541 0.4943810 353.6362 0.3400760 354.1183 0.1550980 354.6005 0.1099280 355.0826 0.3770030 355.5647 0.5279880 356.0468 0.5076790 356.5289 0.4667740 357.0110 0.6015280 357.4932 0.8214190 357.9753 0.9153900 358.4574 0.5760840 358.9395 0.1947210 359.4216 0.1425290 359.9037 0.4852330 360.3859 0.8038830 360.8680 0.7892420 361.3501 0.6246800 361.8322 0.5407300 362.3143 0.7717510 362.7964 0.9921800 363.2786 1.001095 363.7607 0.8176120 364.2428 0.7221150 364.7249 0.9693910 365.2070 1.240910 365.6891 1.313080 366.1713 0.9338490 366.6534 0.6163370 367.1355 0.4634550 367.6176 0.4423520 368.0997 0.4568020 368.5818 0.5748330 369.0640 0.6529390 369.5461 0.6050950 370.0282 0.2752690 370.5103 0.2144930 370.9924 0.6545070 371.4745 1.257298 371.9567 1.578457 372.4388 1.479477 372.9209 1.294304 373.4030 1.056801 373.8851 0.7630880 374.3672 0.5762980 374.8494 0.5616490 375.3315 0.5652240 375.8136 0.4469030 376.2957 0.1557240 376.7778 8.3453998E-02 377.2599 0.2468150 377.7421 0.3366320 378.2242 0.3417400 378.7063 0.2421150 379.1884 0.1391940 379.6705 7.3711000E-02 380.1526 4.4300001E-02 380.6348 0.1345410 381.1169 0.3871350 381.5990 0.6581340 382.0811 0.7286640 382.5632 0.6078450 383.0453 0.4294930 383.5275 0.1790540 384.0096 7.3177002E-02 384.4917 5.0026000E-02 384.9738 0.2574420 385.4559 0.5465430 385.9380 0.4773290 386.4202 0.1804850 386.9023 7.8769997E-03 387.3844 3.3810001E-02 387.8665 0.1492310 388.3486 0.1218190 388.8307 9.4379997E-03 389.3129 8.8950999E-02 389.7950 2.9556001E-02 390.2771 0.2218320 390.7592 0.3392410 391.2413 0.3435250 391.7234 0.3655050 392.2056 0.5677870 392.6877 0.8336330 393.1698 0.9824870 393.6519 0.7838750 394.1340 0.5870290 394.6161 0.6149600 395.0983 0.8636630 395.5804 1.058674 396.0625 1.176563 396.5446 1.161060 397.0267 0.9625550 397.5089 0.1439670 397.9910 0.3470150 398.4731 0.1159360 398.9552 0.5960850 399.4373 1.065739 399.9194 0.9824490 400.4016 0.8567540 400.8837 0.8960270 401.3658 1.211594 401.8479 1.342056 402.3300 1.177914 402.8121 0.8956220 403.2942 0.6869930 403.7763 0.5011290 404.2585 0.4968070 404.7406 0.7720380 405.2227 1.290615 405.7048 1.669994 406.1869 1.903393 406.6690 2.007061 407.1512 1.955669 407.6333 1.725914 408.1154 1.540997 408.5975 1.428833 409.0796 1.361149 409.5617 1.245373 410.0439 1.077408 410.5260 1.009895 411.0081 1.198891 411.4902 1.563309 411.9723 1.739849 412.4544 1.709942 412.9366 1.628632 413.4187 1.628326 413.9008 1.704899 414.3829 1.850285 414.8650 2.126770 415.3471 2.381432 415.8293 2.384872 416.3114 2.194405 416.7935 2.011337 417.2756 2.027363 417.7577 2.064358 418.2398 1.886688 418.7220 1.398369 419.2041 1.032352 419.6862 1.159451 420.1683 1.539909 420.6504 1.816132 421.1325 1.815994 421.6147 1.756176 422.0968 1.717846 422.5789 1.686916 423.0610 1.622223 423.5431 1.490879 424.0252 1.377071 424.5074 1.314621 424.9895 1.355705 425.4716 1.362232 425.9537 1.257549 426.4358 1.108673 426.9179 1.082939 427.4001 1.308228 427.8822 1.523300 428.3643 1.619301 428.8464 1.547138 429.3285 1.493080 429.8106 1.508091 430.2928 1.534485 430.7749 1.487629 431.2570 1.349762 431.7391 1.230698 432.2212 1.133698 432.7033 1.055302 433.1855 1.013496 433.6676 1.015560 434.1497 1.070713 434.6318 1.203365 435.1139 1.388954 435.5960 1.531540 436.0782 1.633423 436.5603 1.666870 437.0424 1.554844 437.5245 1.336994 438.0066 1.144402 438.4887 0.9837270 438.9709 0.9202800 439.4530 1.134468 439.9351 1.575260 440.4172 1.888302 440.8993 1.719032 441.3814 1.352352 441.8636 1.100533 442.3457 1.072472 442.8278 1.087971 443.3099 0.9528660 443.7920 0.7804910 444.2741 0.7611850 444.7563 1.212032 445.2384 1.618305 445.7205 1.734402 446.2026 1.543327 446.6847 1.379784 447.1668 1.338478 447.6490 1.344925 448.1311 1.348648 448.6132 1.293766 449.0953 1.293243 449.5774 1.437592 450.0595 1.624439 450.5417 1.585972 451.0238 1.122017 451.5059 0.7712820 451.9880 0.7545590 452.4701 1.104164 452.9522 1.262569 453.4344 1.169510 453.9165 1.016968 454.3986 0.9983410 454.8807 1.117489 455.3628 1.151894 455.8449 1.082409 456.3271 0.9561390 456.8092 0.7671470 457.2913 0.5013690 457.7734 0.2634430 458.2555 9.7488001E-02 458.7376 1.2707000E-02 459.2198 4.4948999E-02 459.7019 0.1931380 460.1840 0.3623120 460.6661 0.5081180 461.1482 0.6116490 461.6303 0.6297800 462.1125 0.5014270 462.5946 0.3827590 463.0767 0.4048350 463.5588 0.5202290 464.0409 0.6150130 464.5230 0.6514660 465.0052 0.6412430 465.4873 0.5535930 465.9694 0.3526690 466.4515 0.2595180 466.9336 0.3270490 467.4157 0.5277940 467.8979 0.8350830 468.3800 1.671558 468.8621 2.113892 469.3442 1.894482 469.8263 1.186314 470.3084 0.6862490 470.7906 0.4715190 471.2727 0.3554150 471.7548 0.2689780 472.2369 0.2118680 472.7190 0.2075350 473.2011 0.2817540 473.6833 0.3590970 474.1654 0.3289340 474.6475 0.1845930 475.1296 9.2212997E-02 475.6117 0.1000370 476.0938 0.1694790 476.5760 0.1815530 477.0581 0.1424790 477.5402 0.1720010 478.0223 0.4473460 478.5044 0.8130380 478.9865 0.9394490 479.4687 0.7879330 479.9508 0.5799520 480.4329 0.4746550 480.9150 0.4487800 481.3971 0.4730190 481.8792 0.6182140 482.3614 0.7231100 482.8435 0.6084060 483.3256 0.3599170 483.8077 0.2460020 484.2898 0.5624660 484.7719 0.8854410 485.2541 0.9683720 485.7362 0.6984560 486.2183 0.5572360 486.7004 0.7328640 487.1825 0.9981380 487.6646 1.143196 488.1468 1.108906 488.6289 1.039726 489.1110 0.9413530 489.5931 0.8183330 490.0752 0.6838000 490.5573 0.5360570 491.0395 0.3768690 491.5216 0.1512370 492.0037 0.1476100 492.4858 0.1229320 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