#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:15:19 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1032 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000487.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_1000487 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 R050181 _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 R050181.rod _rod_data_source.block 3500000 _rod_database.code 1000487 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 112.0958 0.0000000E+00 112.5779 0.4045660 113.0601 7.2261997E-02 113.5422 1.3449000E-02 114.0243 4.8080001E-02 114.5064 6.7280002E-02 114.9885 5.3001001E-02 115.4706 4.0052000E-02 115.9528 0.2533680 116.4349 0.4924030 116.9170 0.6575570 117.3991 0.6503620 117.8812 0.8439330 118.3633 1.709864 118.8455 2.863131 119.3276 3.547291 119.8097 2.925346 120.2918 2.030764 120.7739 1.605894 121.2560 1.866703 121.7382 2.466963 122.2203 3.412857 122.7024 4.585329 123.1845 5.588985 123.6666 6.245218 124.1487 6.586796 124.6309 6.614529 125.1130 6.043943 125.5951 5.458427 126.0772 5.515224 126.5593 6.161331 127.0414 6.924187 127.5236 7.353947 128.0057 7.623482 128.4878 8.131119 128.9699 9.103867 129.4520 10.33387 129.9341 11.53734 130.4162 12.71950 130.8984 13.74874 131.3805 14.36549 131.8626 14.65242 132.3447 15.05056 132.8268 15.75758 133.3089 16.71727 133.7911 17.58247 134.2732 18.19177 134.7553 18.66652 135.2374 19.27838 135.7195 20.03069 136.2016 20.78878 136.6838 21.48057 137.1659 22.10384 137.6480 22.78667 138.1301 23.53637 138.6122 24.34401 139.0943 25.21708 139.5765 26.16392 140.0586 27.15056 140.5407 28.23175 141.0228 29.48714 141.5049 30.40361 141.9870 30.79665 142.4692 30.95092 142.9513 31.68266 143.4334 33.14156 143.9155 34.88097 144.3976 36.69478 144.8797 38.55058 145.3619 40.51678 145.8440 42.52727 146.3261 44.63178 146.8082 46.93920 147.2903 49.51506 147.7724 52.23867 148.2546 55.08879 148.7367 58.17631 149.2188 61.20396 149.7009 64.12970 150.1830 66.95408 150.6651 69.62035 151.1473 71.88794 151.6294 74.13946 152.1115 76.61661 152.5936 79.38988 153.0757 82.30842 153.5578 85.47372 154.0400 88.88452 154.5221 91.99020 155.0042 94.55731 155.4863 96.92677 155.9684 99.39339 156.4505 101.6964 156.9327 104.4940 157.4148 108.0679 157.8969 112.6988 158.3790 117.0774 158.8611 120.5794 159.3432 123.8749 159.8254 127.6420 160.3075 132.6204 160.7896 137.5822 161.2717 141.8679 161.7538 145.2066 162.2359 149.0667 162.7181 154.3934 163.2002 160.4866 163.6823 166.3503 164.1644 171.7337 164.6465 176.6662 165.1286 181.3442 165.6108 185.9111 166.0929 189.4959 166.5750 191.8598 167.0571 193.0027 167.5392 192.8813 168.0213 191.5939 168.5035 189.0812 168.9856 185.2258 169.4677 180.0896 169.9498 173.5738 170.4319 165.1292 170.9140 155.2782 171.3962 145.3216 171.8783 135.9262 172.3604 126.7753 172.8425 117.4607 173.3246 107.6769 173.8067 98.18700 174.2889 89.47881 174.7710 81.53349 175.2531 74.40469 175.7352 68.53357 176.2173 63.43861 176.6994 58.47637 177.1816 53.39776 177.6637 48.60545 178.1458 44.62180 178.6279 41.32351 179.1100 38.31042 179.5921 35.14452 180.0743 32.04611 180.5564 29.53389 181.0385 27.83984 181.5206 26.54596 182.0027 25.20181 182.4848 23.79436 182.9670 22.21304 183.4491 20.06458 183.9312 17.62731 184.4133 15.76091 184.8954 14.78447 185.3775 14.30608 185.8597 13.65860 186.3418 12.84607 186.8239 11.96915 187.3060 11.10869 187.7881 10.25004 188.2702 9.351685 188.7523 8.346447 189.2345 7.326412 189.7166 6.522617 190.1987 5.936211 190.6808 5.433578 191.1629 4.873466 191.6451 4.273869 192.1272 3.789268 192.6093 3.490379 193.0914 3.315723 193.5735 3.053905 194.0556 2.689667 194.5378 2.337070 195.0199 2.176056 195.5020 2.193214 195.9841 2.022572 196.4662 1.464569 196.9483 0.6584170 197.4305 0.2436900 197.9126 0.2740480 198.3947 0.4493060 198.8768 0.5021510 199.3589 0.4320030 199.8410 0.2312850 200.3232 0.2034420 200.8053 0.7861180 201.2874 0.9156910 201.7695 0.4649430 202.2516 6.0642000E-02 202.7337 6.0352001E-02 203.2159 0.5487290 203.6980 0.9932400 204.1801 1.020844 204.6622 0.6859930 205.1443 0.5350690 205.6264 0.6087840 206.1086 0.7663730 206.5907 0.8691710 207.0728 0.9115410 207.5549 0.9237980 208.0370 0.9071350 208.5191 0.8629990 209.0013 0.8207240 209.4834 0.7855490 209.9655 0.7421460 210.4476 0.6643710 210.9297 0.5367660 211.4118 0.4344180 211.8940 0.3705640 212.3761 0.3447800 212.8582 0.3629800 213.3403 0.4402960 213.8224 0.5366780 214.3045 0.6225430 214.7867 0.7200160 215.2688 0.7335780 215.7509 0.5995060 216.2330 0.3212130 216.7151 0.2045940 217.1972 0.3311230 217.6794 0.5089420 218.1615 0.5157200 218.6436 0.2706720 219.1257 6.6455998E-02 219.6078 2.3585999E-02 220.0899 2.7100000E-04 220.5721 4.6108000E-02 221.0542 0.1484490 221.5363 0.2342830 222.0184 0.1942750 222.5005 9.5394000E-02 222.9826 0.2079470 223.4648 5.7579000E-02 223.9469 0.7143100 224.4290 0.9179840 224.9111 0.4667210 225.3932 0.2011910 225.8753 0.6604350 226.3575 0.8345150 226.8396 0.9553570 227.3217 1.055786 227.8038 1.137932 228.2859 1.190178 228.7680 1.111958 229.2502 1.117363 229.7323 1.439091 230.2144 2.264626 230.6965 3.038250 231.1786 3.666882 231.6607 4.150940 232.1429 4.545918 232.6250 4.773781 233.1071 4.999638 233.5892 5.371426 234.0713 5.933823 234.5534 6.551064 235.0356 7.208630 235.5177 7.899879 235.9998 8.601971 236.4819 9.311054 236.9640 10.04445 237.4461 10.82481 237.9283 11.67937 238.4104 12.52199 238.8925 13.33079 239.3746 14.11057 239.8567 14.87740 240.3388 15.56187 240.8210 16.32016 241.3031 17.29234 241.7852 18.59698 242.2673 19.86670 242.7494 21.02175 243.2315 22.08288 243.7137 23.22499 244.1958 24.47190 244.6779 25.78083 245.1600 27.11198 245.6421 28.41236 246.1242 29.84817 246.6064 31.46496 247.0885 33.24154 247.5706 35.01191 248.0527 36.61200 248.5348 38.40421 249.0169 40.65094 249.4990 43.66031 249.9812 46.44797 250.4633 48.82790 250.9454 50.91305 251.4275 53.24852 251.9096 55.85408 252.3917 58.65490 252.8739 61.56833 253.3560 64.58083 253.8381 67.77483 254.3202 71.13701 254.8023 74.70086 255.2844 78.52099 255.7666 82.60030 256.2487 86.91523 256.7308 91.46676 257.2129 96.48618 257.6950 101.1183 258.1772 105.0180 258.6593 108.5770 259.1414 113.0628 259.6235 118.8601 260.1056 124.9993 260.5877 131.1961 261.0699 137.4373 261.5520 143.4250 262.0341 148.9787 262.5162 154.4249 262.9983 160.6596 263.4804 167.9857 263.9626 175.3051 264.4447 182.0114 264.9268 187.8652 265.4089 194.5245 265.8910 202.3363 266.3731 210.6819 266.8553 218.6641 267.3374 226.0952 267.8195 233.5337 268.3016 240.9854 268.7837 248.5393 269.2658 256.2400 269.7480 263.9795 270.2301 272.0001 270.7122 280.7452 271.1943 290.5361 271.6764 299.7614 272.1585 307.4516 272.6407 313.6026 273.1228 320.8321 273.6049 329.4681 274.0870 338.4564 274.5691 346.7007 275.0512 354.0769 275.5334 361.0104 276.0155 367.6975 276.4976 374.0960 276.9797 379.5988 277.4618 384.1148 277.9439 387.9620 278.4261 391.4813 278.9081 394.6897 279.3903 397.3424 279.8724 399.4472 280.3545 400.9469 280.8366 401.5428 281.3187 401.1933 281.8008 400.1024 282.2830 398.6370 282.7651 396.8454 283.2472 393.8630 283.7293 389.4181 284.2114 383.7040 284.6935 377.1245 285.1757 369.5582 285.6578 361.9713 286.1399 355.3038 286.6220 349.4449 287.1041 342.8934 287.5862 335.3382 288.0684 327.1336 288.5505 319.2831 289.0326 311.7563 289.5147 303.7393 289.9968 294.3850 290.4789 283.9204 290.9611 273.9704 291.4432 264.6459 291.9253 255.7215 292.4074 247.1702 292.8895 238.8745 293.3716 230.4447 293.8538 221.4398 294.3359 212.0663 294.8180 202.8862 295.3001 194.0038 295.7822 185.4581 296.2643 177.6932 296.7465 170.5132 297.2286 162.8528 297.7107 153.4784 298.1928 143.3546 298.6749 134.6995 299.1570 127.5086 299.6392 121.0780 300.1213 115.0637 300.6034 109.3605 301.0855 103.9677 301.5676 98.97402 302.0497 94.14285 302.5319 89.09615 303.0140 83.81733 303.4961 78.81768 303.9782 74.50152 304.4603 70.72753 304.9424 67.06133 305.4246 63.35026 305.9067 59.78183 306.3888 56.64749 306.8709 53.90513 307.3530 51.28128 307.8351 48.70782 308.3173 46.15519 308.7994 43.55729 309.2815 40.74420 309.7636 38.13173 310.2457 36.18640 310.7278 34.71285 311.2100 33.23967 311.6921 31.31909 312.1742 29.37631 312.6563 27.88367 313.1384 27.01489 313.6205 26.18002 314.1027 24.91217 314.5848 23.43179 315.0669 22.10979 315.5490 21.22602 316.0311 20.47593 316.5132 19.69370 316.9954 18.84637 317.4775 18.08709 317.9596 17.55145 318.4417 17.11650 318.9238 16.63555 319.4059 16.02813 319.8881 15.39613 320.3702 14.74553 320.8523 14.08202 321.3344 13.53680 321.8165 13.29676 322.2986 13.11406 322.7808 12.79660 323.2629 12.11740 323.7450 11.49510 324.2271 10.98672 324.7092 10.59317 325.1913 10.30537 325.6735 10.24782 326.1556 10.21677 326.6377 10.11046 327.1198 9.892311 327.6019 9.639908 328.0840 9.399769 328.5662 9.134926 329.0483 8.734825 329.5304 7.960278 330.0125 7.287106 330.4946 6.882225 330.9767 6.842178 331.4589 6.801926 331.9410 6.787510 332.4231 6.770245 332.9052 6.711712 333.3873 6.572151 333.8694 6.388161 334.3516 6.179195 334.8337 5.953442 335.3158 5.653778 335.7979 5.215427 336.2800 4.794525 336.7621 4.559589 337.2443 4.585884 337.7264 4.552799 338.2085 4.399193 338.6906 4.150707 339.1727 3.924393 339.6548 3.728168 340.1370 3.536118 340.6191 3.294102 341.1012 2.985134 341.5833 2.839569 342.0654 2.951115 342.5475 3.151268 343.0297 3.024441 343.5118 2.532188 343.9939 2.044662 344.4760 1.777340 344.9581 1.715649 345.4402 1.603313 345.9224 1.414921 346.4045 1.235737 346.8866 1.272770 347.3687 1.495449 347.8508 1.538918 348.3329 1.109974 348.8151 0.4274670 349.2972 0.1530460 349.7793 0.2977070 350.2614 0.5323300 350.7435 0.5977060 351.2256 0.5152170 351.7078 0.3122410 352.1899 0.1110760 352.6720 0.5183640 353.1541 0.5136950 353.6362 0.1630630 354.1183 0.1669390 354.6005 0.2257460 355.0826 0.1158260 355.5647 5.1022001E-02 356.0468 0.2953380 356.5289 0.4773750 357.0110 0.4035610 357.4932 0.1753850 357.9753 2.5318000E-02 358.4574 0.1623740 358.9395 0.3622280 359.4216 0.4350890 359.9037 0.3564000 360.3859 0.2589380 360.8680 0.1534330 361.3501 8.8655002E-02 361.8322 0.1249390 362.3143 0.4105700 362.7964 0.6903550 363.2786 0.8758220 363.7607 0.9639260 364.2428 0.9554790 364.7249 0.7413080 365.2070 0.4969980 365.6891 0.3438470 366.1713 0.3966290 366.6534 0.4241470 367.1355 0.3451840 367.6176 0.2056830 368.0997 0.1351870 368.5818 0.2325920 369.0640 0.3276630 369.5461 0.3433320 370.0282 0.2003140 370.5103 0.1740040 370.9924 0.4117320 371.4745 0.7029290 371.9567 0.7577530 372.4388 0.3790230 372.9209 5.0484002E-02 373.4030 0.1125970 373.8851 0.1051580 374.3672 0.1162870 374.8494 0.1492140 375.3315 0.1972520 375.8136 0.2518880 376.2957 0.3059670 376.7778 0.3991990 377.2599 0.5760990 377.7421 0.7753560 378.2242 0.7709690 378.7063 0.5202770 379.1884 0.2412220 379.6705 4.8285000E-02 380.1526 6.0524002E-02 380.6348 0.1161880 381.1169 0.1202450 381.5990 7.0073999E-02 382.0811 6.4787000E-02 382.5632 0.2787950 383.0453 0.4736040 383.5275 0.5936050 384.0096 0.6660290 384.4917 0.7840520 384.9738 0.9509450 385.4559 1.089777 385.9380 1.117739 386.4202 1.064383 386.9023 1.002766 387.3844 0.9456460 387.8665 0.8936210 388.3486 0.8913760 388.8307 0.9108140 389.3129 0.8345680 389.7950 0.4086020 390.2771 6.4971998E-02 390.7592 0.2240920 391.2413 1.8077999E-02 391.7234 0.3739300 392.2056 0.7796000 392.6877 1.144878 393.1698 1.342756 393.6519 1.032421 394.1340 0.7584650 394.6161 0.9143200 395.0983 1.491529 395.5804 1.915060 396.0625 1.899084 396.5446 1.692654 397.0267 1.481504 397.5089 1.278147 397.9910 1.103327 398.4731 0.9051780 398.9552 0.7282520 399.4373 0.7085820 399.9194 1.092630 400.4016 1.429733 400.8837 1.538256 401.3658 1.329304 401.8479 1.200375 402.3300 1.139275 402.8121 1.138523 403.2942 1.195250 403.7763 1.327398 404.2585 1.490847 404.7406 1.719986 405.2227 1.994421 405.7048 2.043493 406.1869 1.761734 406.6690 1.491692 407.1512 1.535616 407.6333 1.946188 408.1154 2.202679 408.5975 2.253014 409.0796 2.140650 409.5617 1.858597 410.0439 1.395824 410.5260 1.049482 411.0081 1.077824 411.4902 1.405134 411.9723 1.615192 412.4544 1.693501 412.9366 1.709160 413.4187 1.675341 413.9008 1.616625 414.3829 1.654329 414.8650 1.917316 415.3471 2.224224 415.8293 2.275934 416.3114 2.105528 416.7935 1.951286 417.2756 2.082375 417.7577 2.273821 418.2398 2.244383 418.7220 1.902090 419.2041 1.568657 419.6862 1.441734 420.1683 1.427326 420.6504 1.405725 421.1325 1.316963 421.6147 1.241459 422.0968 1.234798 422.5789 1.307617 423.0610 1.372101 423.5431 1.399345 424.0252 1.392200 424.5074 1.362221 424.9895 1.328693 425.4716 1.267216 425.9537 1.116529 426.4358 0.9243550 426.9179 0.8197730 427.4001 0.8359780 427.8822 0.9209080 428.3643 1.081886 428.8464 1.333456 429.3285 1.404818 429.8106 1.229944 430.2928 1.023964 430.7749 0.9967170 431.2570 1.201485 431.7391 1.285854 432.2212 1.159634 432.7033 0.8953720 433.1855 0.7035870 433.6676 0.5843730 434.1497 0.5373420 434.6318 0.5963190 435.1139 0.7423880 435.5960 0.8544460 436.0782 0.9234940 436.5603 0.9554880 437.0424 0.9573730 437.5245 0.9275950 438.0066 0.8690870 438.4887 0.7883720 438.9709 0.6831380 439.4530 0.5034280 439.9351 0.2745320 440.4172 0.1406350 440.8993 0.2655200 441.3814 0.4899670 441.8636 0.6465510 442.3457 0.6922360 442.8278 0.7108120 443.3099 0.7474940 443.7920 0.7864650 444.2741 0.8040920 444.7563 0.8247130 445.2384 0.7920680 445.7205 0.6408060 446.2026 0.3711950 446.6847 0.1870020 447.1668 8.6994000E-02 447.6490 0.1019170 448.1311 0.2482400 448.6132 0.9684410 449.0953 1.275246 449.5774 0.9013600 450.0595 0.1672170 450.5417 0.2269080 451.0238 0.1494290 451.5059 2.7000001E-02 451.9880 0.2167610 452.4701 0.4323180 452.9522 0.5986790 453.4344 0.7299290 453.9165 0.7686770 454.3986 0.5988160 454.8807 0.2028370 455.3628 2.9888000E-02 455.8449 1.2926000E-02 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