#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:57:15 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1017 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000473.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_1000473 loop_ _publ_author_name 'Antao, S. M.' _publ_section_title ; Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within SO4 groups ; _journal_name_full 'American Mineralogist' _journal_page_first 661 _journal_page_last 665 _journal_paper_doi 10.2138/am.2012.3905 _journal_volume 97 _journal_year 2012 _chemical_compound_source 'Synthetic 2' _chemical_formula_sum 'O4 Pb S' _chemical_name_mineral Anglesite _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2c 2ab' _symmetry_space_group_name_H-M 'P b n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.95802 _cell_length_b 8.48024 _cell_length_c 5.39754 _cell_volume 318.486 _exptl_crystal_density_diffrn 6.325 _cod_original_formula_sum 'Pb S O4' _cod_database_code 9015524 _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 R050408.rod _rod_data_source.block 3500000 _rod_database.code 1000473 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 9015524 COD http://www.crystallography.net/cod/9015524.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 119.8342 0.0000000E+00 120.3163 2.843018 120.7984 18.36499 121.2805 62.34741 121.7626 118.0825 122.2448 175.8237 122.7269 230.8704 123.2090 282.7852 123.6911 330.5281 124.1732 372.4988 124.6553 413.0608 125.1375 457.3215 125.6196 503.5076 126.1017 546.7273 126.5838 581.8340 127.0659 612.3147 127.5480 643.9866 128.0302 676.9497 128.5123 712.0874 128.9944 750.8623 129.4765 793.1121 129.9586 837.8540 130.4407 884.1455 130.9229 932.2705 131.4050 984.3049 131.8871 1041.242 132.3692 1100.516 132.8513 1155.408 133.3334 1200.322 133.8156 1228.148 134.2977 1250.295 134.7798 1275.006 135.2619 1283.212 135.7440 1268.750 136.2261 1235.791 136.7083 1198.260 137.1904 1156.410 137.6725 1109.519 138.1546 1056.004 138.6367 995.4255 139.1188 930.1248 139.6010 859.7729 140.0831 784.7678 140.5652 704.8691 141.0473 615.8621 141.5294 526.2261 142.0115 448.6780 142.4937 385.1333 142.9758 326.3234 143.4579 267.7596 143.9400 207.7885 144.4221 156.8442 144.9042 116.0911 145.3864 83.08167 145.8685 55.06482 146.3506 32.33606 146.8327 13.37988 147.3148 2.962524 147.7969 18.10034 148.2791 27.10974 148.7612 27.38574 149.2433 21.85425 149.7254 17.30054 150.2075 15.18347 150.6896 12.64600 151.1718 8.529541 151.6539 1.592163 152.1360 5.124512 152.6181 11.84912 153.1002 18.37585 153.5823 24.09045 154.0645 29.19446 154.5466 33.24829 155.0287 36.10327 155.5108 38.99158 155.9929 38.99902 156.4750 34.22339 156.9572 25.73987 157.4393 18.28601 157.9214 10.86133 158.4035 6.028687 158.8856 5.159058 159.3677 12.14783 159.8499 19.42126 160.3320 24.94385 160.8141 30.81360 161.2962 39.82434 161.7783 58.37854 162.2604 78.65015 162.7426 94.15088 163.2247 101.2201 163.7068 106.5614 164.1889 113.2247 164.6710 121.5248 165.1531 128.8904 165.6353 134.4163 166.1174 137.6171 166.5995 138.3146 167.0816 132.9703 167.5637 128.6613 168.0458 130.7585 168.5280 138.9781 169.0101 145.7363 169.4922 141.7916 169.9743 133.1873 170.4564 128.8003 170.9385 135.6558 171.4207 145.5436 171.9028 150.5511 172.3849 150.3571 172.8670 151.7012 173.3491 161.5399 173.8312 175.8267 174.3134 187.2673 174.7955 190.5554 175.2776 190.5559 175.7597 191.9539 176.2418 194.6178 176.7239 200.0754 177.2061 210.6433 177.6882 223.9863 178.1703 237.8413 178.6524 252.4882 179.1345 265.8257 179.6166 273.6433 180.0988 275.0674 180.5809 274.3658 181.0630 276.2323 181.5451 280.0398 182.0272 283.6722 182.5093 286.6927 182.9915 288.6151 183.4736 288.2722 183.9557 285.3253 184.4378 280.7706 184.9199 274.6206 185.4020 267.4341 185.8842 261.2650 186.3663 259.6519 186.8484 260.4917 187.3305 256.0942 187.8126 244.9711 188.2947 230.5365 188.7769 217.5160 189.2590 205.8665 189.7411 194.9225 190.2232 183.8247 190.7053 172.8542 191.1874 163.7841 191.6696 157.3091 192.1517 151.3457 192.6338 141.1025 193.1159 126.4042 193.5980 112.0626 194.0801 101.7064 194.5623 95.05115 195.0444 86.45142 195.5265 74.95752 196.0086 62.11823 196.4907 51.08063 196.9728 41.91638 197.4550 33.79730 197.9371 26.02405 198.4192 18.57581 198.9013 13.18225 199.3834 10.79260 199.8655 9.775146 200.3477 5.124268 200.8298 4.143127 201.3119 12.53802 201.7940 16.34961 202.2761 15.12207 202.7582 14.41968 203.2404 14.98859 203.7225 16.18469 204.2046 15.84375 204.6867 13.35638 205.1688 11.45825 205.6509 12.49060 206.1331 17.13464 206.6152 20.09845 207.0973 20.37299 207.5794 18.83032 208.0615 18.16058 208.5436 18.67249 209.0258 19.27441 209.5079 19.30096 209.9900 18.78577 210.4721 17.68933 210.9542 15.89612 211.4363 13.56671 211.9185 11.09961 212.4006 8.246155 212.8827 5.824890 213.3648 4.391541 213.8469 4.389648 214.3290 4.189514 214.8112 4.061707 215.2933 3.499451 215.7754 0.5739140 216.2575 6.061127 216.7396 12.40982 217.2217 15.75604 217.7039 14.69165 218.1860 15.20529 218.6681 18.49866 219.1502 23.52872 219.6323 26.42947 220.1144 26.42075 220.5966 25.71109 221.0787 25.44934 221.5608 25.49042 222.0429 26.50351 222.5250 28.99011 223.0071 32.43658 223.4893 35.16779 223.9714 37.18222 224.4535 38.48856 224.9356 38.68237 225.4177 36.47577 225.8998 36.47482 226.3820 39.66483 226.8641 45.10608 227.3462 49.89795 227.8283 54.77658 228.3104 57.90701 228.7925 57.97314 229.2747 52.79965 229.7568 49.20731 230.2389 47.16559 230.7210 46.82938 231.2031 49.27075 231.6852 56.48166 232.1674 63.49588 232.6495 67.72162 233.1316 67.60666 233.6137 68.24692 234.0958 70.35461 234.5779 73.20203 235.0601 74.59268 235.5422 73.07147 236.0243 72.18048 236.5064 73.74957 236.9885 79.61960 237.4706 83.79114 237.9528 85.45970 238.4349 85.63312 238.9170 86.88217 239.3991 89.72073 239.8812 92.87494 240.3633 95.94804 240.8455 99.36011 241.3276 101.5399 241.8097 101.8325 242.2918 101.1899 242.7739 101.7576 243.2560 104.1335 243.7382 106.7919 244.2203 109.2721 244.7024 111.8103 245.1845 113.3595 245.6666 113.0927 246.1487 112.2528 246.6309 113.2449 247.1130 116.9763 247.5951 121.0806 248.0772 124.9518 248.5593 128.9189 249.0414 131.3110 249.5236 131.1911 250.0057 130.0986 250.4878 130.6178 250.9699 133.6987 251.4520 136.6810 251.9341 138.6996 252.4163 139.5416 252.8984 140.3717 253.3805 140.7868 253.8626 141.4512 254.3447 143.6083 254.8268 148.2939 255.3090 152.3781 255.7911 154.9604 256.2732 155.9473 256.7553 156.0663 257.2374 154.4765 257.7195 152.8306 258.2017 153.2852 258.6838 156.8553 259.1659 158.9711 259.6480 158.5689 260.1301 155.8782 260.6122 153.6003 261.0944 151.7296 261.5765 149.9984 262.0586 148.2019 262.5407 146.2966 263.0228 145.0367 263.5049 144.7300 263.9871 145.0706 264.4692 143.9353 264.9513 140.8503 265.4334 137.5813 265.9155 135.7637 266.3976 135.9623 266.8798 135.4447 267.3619 133.6397 267.8440 130.7248 268.3261 128.0918 268.8082 126.0009 269.2903 123.7792 269.7725 120.3287 270.2546 114.9225 270.7367 112.2199 271.2188 114.0419 271.7009 118.7121 272.1830 118.8239 272.6652 112.7092 273.1473 106.5771 273.6294 105.6676 274.1115 111.4732 274.5936 114.4506 275.0757 112.6521 275.5579 107.7352 276.0400 105.3085 276.5221 106.0135 277.0042 107.1649 277.4863 107.0641 277.9684 105.5327 278.4506 103.7349 278.9327 101.5831 279.4148 99.47311 279.8969 98.51174 280.3790 98.94092 280.8611 99.21455 281.3433 98.32043 281.8254 96.23769 282.3075 94.45211 282.7896 92.94833 283.2717 91.69678 283.7538 90.91878 284.2360 90.72079 284.7181 90.61817 285.2002 90.15386 285.6823 89.42967 286.1644 89.74988 286.6465 91.38476 287.1287 92.77647 287.6108 91.53527 288.0929 87.84240 288.5750 84.72111 289.0571 83.64682 289.5392 84.17522 290.0214 84.13559 290.5035 83.38119 290.9856 82.66409 291.4677 83.24722 291.9498 84.86017 292.4319 85.69162 292.9141 85.06668 293.3962 83.32559 293.8783 80.98291 294.3604 78.06911 294.8425 75.58806 295.3246 74.59155 295.8068 74.68496 296.2889 74.53664 296.7710 73.59837 297.2531 72.57771 297.7352 73.21842 298.2173 75.26385 298.6995 76.50894 299.1816 74.65696 299.6637 70.86166 300.1458 67.44061 300.6279 64.56676 301.1100 62.71133 301.5922 63.09865 302.0743 65.24669 302.5564 67.30525 303.0385 68.36465 303.5206 68.56123 304.0027 67.88351 304.4849 66.18409 304.9670 64.45812 305.4491 63.89132 305.9312 64.00493 306.4133 63.63219 306.8954 61.70549 307.3776 59.36973 307.8597 58.02887 308.3418 57.88162 308.8239 57.62714 309.3060 55.69618 309.7881 53.00424 310.2703 51.01566 310.7524 51.21027 311.2345 51.75601 311.7166 50.97226 312.1987 48.97438 312.6808 47.94267 313.1630 50.25282 313.6451 53.67381 314.1272 55.83884 314.6093 54.87680 315.0914 53.17363 315.5735 51.98997 316.0557 51.26638 316.5378 50.10905 317.0199 46.25722 317.5020 42.78642 317.9841 42.17588 318.4662 47.97418 318.9484 52.22083 319.4305 50.80399 319.9126 45.77640 320.3947 42.44482 320.8768 43.55176 321.3589 45.71574 321.8411 47.39076 322.3232 48.44157 322.8053 48.55162 323.2874 47.58860 323.7695 45.81636 324.2516 43.54865 324.7338 38.93884 325.2159 35.58273 325.6980 35.21775 326.1801 38.91302 326.6622 40.93625 327.1443 39.99847 327.6265 37.61700 328.1086 35.28951 328.5907 32.01760 329.0728 30.03006 329.5549 30.13464 330.0370 32.34389 330.5192 34.03088 331.0013 36.07750 331.4834 36.90405 331.9655 35.11208 332.4476 27.34167 332.9297 22.77196 333.4119 23.49124 333.8940 28.14989 334.3761 30.83908 334.8582 31.04594 335.3403 30.00262 335.8224 28.04408 336.3046 24.52757 336.7867 22.02280 337.2688 20.74879 337.7509 20.36991 338.2330 20.09987 338.7151 19.71054 339.1973 20.17006 339.6794 22.52278 340.1615 26.94424 340.6436 28.65222 341.1257 27.01244 341.6078 24.01880 342.0900 22.39543 342.5721 22.32495 343.0542 21.27611 343.5363 17.69179 344.0184 12.61177 344.5005 11.27251 344.9827 14.16614 345.4648 17.23320 345.9469 15.90717 346.4290 10.87439 346.9111 7.720230 347.3932 7.926117 347.8754 9.961960 348.3575 11.07660 348.8396 11.31870 349.3217 11.34422 349.8038 11.74507 350.2859 12.23528 350.7681 12.09566 351.2502 11.19038 351.7323 9.820648 352.2144 7.870865 352.6965 5.645447 353.1786 4.105698 353.6608 4.109207 354.1429 4.892563 354.6250 5.577866 355.1071 6.127640 355.5892 6.635376 356.0714 7.552734 356.5535 8.397858 357.0356 8.438019 357.5177 6.704559 357.9998 4.658752 358.4819 3.598328 358.9641 3.300690 359.4462 2.510529 359.9283 0.4562990 360.4104 3.644958 360.8925 5.300217 361.3746 4.109360 361.8568 2.953934 362.3389 3.443832 362.8210 4.848328 363.3031 5.498245 363.7852 3.832336 364.2673 2.126984 364.7495 1.473267 365.2316 2.187225 365.7137 3.211609 366.1958 5.135956 366.6779 6.981674 367.1600 7.614609 367.6422 5.550568 368.1243 3.670334 368.6064 2.258575 369.0885 1.296280 369.5706 1.672302 370.0527 4.575790 370.5349 7.897385 371.0170 10.37154 371.4991 12.42564 371.9812 12.75745 372.4633 10.15546 372.9454 5.809448 373.4276 4.158310 373.9097 6.571533 374.3918 9.248718 374.8739 10.43071 375.3560 9.806580 375.8381 9.008850 376.3203 7.769028 376.8024 6.668076 377.2845 6.924377 377.7666 8.907501 378.2487 10.36197 378.7308 10.59962 379.2130 9.667984 379.6951 7.538986 380.1772 3.915375 380.6593 0.5216670 381.1414 0.8724370 381.6235 0.4377290 382.1057 0.1997830 382.5878 1.087341 383.0699 1.509903 383.5520 0.3613590 384.0341 4.358047 384.5162 8.337570 384.9984 10.87286 385.4805 12.43980 385.9626 14.15059 386.4447 16.16330 386.9268 18.03723 387.4089 18.96678 387.8911 19.42223 388.3732 20.40453 388.8553 22.07028 389.3374 24.64923 389.8195 29.34613 390.3016 35.84619 390.7838 40.78038 391.2659 39.91882 391.7480 37.26836 392.2301 37.08829 392.7122 42.20625 393.1943 47.67299 393.6765 50.64285 394.1586 52.04077 394.6407 54.43832 395.1228 59.55472 395.6049 65.25888 396.0870 70.61908 396.5692 75.46924 397.0513 80.04422 397.5334 84.67941 398.0155 89.00983 398.4976 92.49161 398.9797 92.38716 399.4619 94.31593 399.9440 100.5059 400.4261 110.9260 400.9082 118.7298 401.3903 121.9333 401.8724 124.3677 402.3546 128.6266 402.8367 135.9868 403.3188 142.2905 403.8009 146.9720 404.2830 150.5648 404.7651 154.1185 405.2473 156.9847 405.7294 161.6368 406.2115 169.8629 406.6936 181.7377 407.1757 191.5744 407.6578 198.9891 408.1400 205.4847 408.6221 212.5938 409.1042 220.3200 409.5863 228.9150 410.0684 238.3573 410.5505 248.7620 411.0327 261.1316 411.5148 275.5034 411.9969 290.6653 412.4790 305.1169 412.9611 319.9484 413.4432 337.4224 413.9254 358.0399 414.4075 381.2702 414.8896 406.2860 415.3717 433.4988 415.8538 463.7990 416.3359 494.9395 416.8181 530.8752 417.3002 573.9703 417.7823 624.8259 418.2644 683.2736 418.7465 747.8553 419.2286 822.2418 419.7108 908.8438 420.1929 1009.032 420.6750 1121.782 421.1571 1246.335 421.6392 1383.851 422.1213 1533.965 422.6035 1711.022 423.0856 1887.510 423.5677 2054.127 424.0498 2207.789 424.5319 2355.463 425.0140 2491.222 425.4962 2625.851 425.9783 2770.140 426.4604 2923.611 426.9425 3087.336 427.4246 3259.783 427.9067 3442.902 428.3889 3638.234 428.8710 3840.265 429.3531 4063.380 429.8352 4318.813 430.3173 4604.022 430.7994 4915.767 431.2816 5248.658 431.7637 5614.800 432.2458 6027.545 432.7279 6487.178 433.2100 6988.641 433.6921 7531.432 434.1743 8116.741 434.6564 8738.416 435.1385 9404.601 435.6206 10091.79 436.1027 10819.58 436.5848 11555.75 437.0670 12228.91 437.5491 12853.92 438.0312 13344.30 438.5133 13651.14 438.9954 13757.04 439.4775 13612.81 439.9597 13102.42 440.4418 12389.13 440.9239 11558.31 441.4060 10615.12 441.8881 9729.051 442.3702 8953.018 442.8524 8311.292 443.3345 7821.975 443.8166 7523.823 444.2987 7339.598 444.7808 7266.907 445.2629 7292.764 445.7451 7380.069 446.2272 7543.510 446.7093 7745.801 447.1914 7984.556 447.6735 8283.506 448.1556 8542.415 448.6378 8794.279 449.1199 8981.768 449.6020 9050.920 450.0841 9015.242 450.5662 8829.533 451.0483 8468.619 451.5305 7950.933 452.0126 7354.964 452.4947 6651.582 452.9768 5944.489 453.4589 5270.107 453.9410 4622.691 454.4232 4053.325 454.9053 3556.986 455.3874 3130.814 455.8695 2771.875 456.3516 2475.879 456.8337 2223.640 457.3159 2011.145 457.7980 1833.031 458.2801 1682.477 458.7622 1558.635 459.2443 1450.737 459.7264 1355.796 460.2086 1271.923 460.6907 1199.416 461.1728 1139.706 461.6549 1085.193 462.1370 1032.881 462.6191 982.7108 463.1013 935.8195 463.5834 893.7668 464.0655 853.9771 464.5476 816.1449 465.0297 780.1935 465.5118 744.4566 465.9940 708.0920 466.4761 672.8151 466.9582 639.7817 467.4403 609.0167 467.9224 580.1062 468.4045 553.7154 468.8867 529.1187 469.3688 504.5326 469.8509 478.7963 470.3330 455.4893 470.8151 435.6156 471.2972 419.1728 471.7794 405.3437 472.2615 394.9456 472.7436 384.2351 473.2257 369.4900 473.7078 350.6683 474.1899 336.5365 474.6721 328.5686 475.1542 322.2664 475.6363 310.3538 476.1184 293.9148 476.6005 279.4846 477.0826 270.3522 477.5648 264.4636 478.0469 258.7781 478.5290 253.2198 479.0111 247.1344 479.4932 240.0435 479.9753 232.0638 480.4575 223.0191 480.9396 212.3317 481.4217 202.6644 481.9038 197.3646 482.3859 193.8029 482.8680 188.1970 483.3502 175.8869 483.8323 164.3917 484.3144 157.4908 484.7965 155.0850 485.2786 151.2165 485.7607 143.3721 486.2429 134.9387 486.7250 127.5847 487.2071 121.8284 487.6892 116.3480 488.1713 111.0836 488.6534 106.0542 489.1356 101.3686 489.6177 97.26855 490.0998 92.92950 490.5819 87.71405 491.0640 81.98676 491.5461 78.33511 492.0283 77.03011 492.5104 75.63579 492.9925 72.10727 493.4746 66.89600 493.9567 62.66129 494.4388 59.56931 494.9210 57.15790 495.4031 55.24332 495.8852 53.57346 496.3673 51.43912 496.8494 48.36360 497.3315 44.98819 497.8137 41.68288 498.2958 38.45068 498.7779 35.62074 499.2600 33.17900 499.7421 31.28981 500.2242 30.44167 500.7064 31.15224 501.1885 30.70082 501.6706 27.09734 502.1527 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