#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:51:56 +0300 (Thu, 07 Jun 2018) $ #$Revision: 972 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000432.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_1000432 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 _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 R040004.rod _rod_data_source.block 3500000 _rod_database.code 1000432 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 113.1730 0.0000000E+00 113.6551 9.368896 114.1373 5.788330 114.6194 1.480225 115.1015 15.81494 115.5836 39.75830 116.0657 70.43262 116.5478 105.4106 117.0300 144.0974 117.5121 187.2952 117.9942 233.0784 118.4763 282.9343 118.9584 338.8079 119.4405 399.4651 119.9227 468.1216 120.4048 546.6191 120.8869 636.1167 121.3690 731.9294 121.8511 830.8599 122.3332 933.7944 122.8154 1042.776 123.2975 1159.934 123.7796 1282.621 124.2617 1409.948 124.7438 1539.297 125.2259 1673.525 125.7081 1815.665 126.1902 1962.386 126.6723 2086.376 127.1544 2194.386 127.6365 2303.312 128.1186 2411.083 128.6008 2516.329 129.0829 2619.918 129.5650 2724.677 130.0471 2830.326 130.5292 2930.069 131.0113 3019.383 131.4935 3098.611 131.9756 3169.168 132.4577 3233.385 132.9398 3288.742 133.4219 3324.933 133.9040 3341.761 134.3862 3344.760 134.8683 3342.177 135.3504 3333.857 135.8325 3307.426 136.3146 3256.610 136.7967 3183.058 137.2789 3100.684 137.7610 3008.167 138.2431 2908.122 138.7252 2800.650 139.2073 2683.720 139.6894 2566.927 140.1716 2452.407 140.6537 2339.103 141.1358 2227.544 141.6179 2113.430 142.1000 2002.282 142.5821 1906.543 143.0643 1827.002 143.5464 1758.676 144.0285 1698.866 144.5106 1648.821 144.9927 1605.037 145.4748 1567.890 145.9570 1537.223 146.4391 1515.337 146.9212 1504.776 147.4033 1499.321 147.8854 1495.817 148.3675 1493.142 148.8497 1494.344 149.3318 1502.377 149.8139 1515.307 150.2960 1523.741 150.7781 1532.484 151.2602 1533.570 151.7424 1524.582 152.2245 1501.586 152.7066 1471.180 153.1887 1434.686 153.6708 1393.359 154.1529 1340.804 154.6351 1268.066 155.1172 1187.502 155.5993 1108.781 156.0814 1028.729 156.5635 948.5137 157.0456 867.4065 157.5278 786.0811 158.0099 712.0317 158.4920 646.1499 158.9741 587.1406 159.4562 533.6243 159.9383 485.8196 160.4205 443.4392 160.9026 407.9971 161.3847 380.0613 161.8668 353.6746 162.3489 327.0032 162.8310 301.4945 163.3132 277.8564 163.7953 254.4866 164.2774 233.7273 164.7595 218.1379 165.2416 208.8010 165.7237 198.8948 166.2059 185.1632 166.6880 168.6830 167.1701 150.6128 167.6522 127.2056 168.1343 105.5836 168.6164 91.08423 169.0985 85.55713 169.5807 82.52429 170.0628 78.79407 170.5449 74.76672 171.0270 67.76941 171.5091 59.73279 171.9912 51.86267 172.4734 45.13794 172.9555 39.37585 173.4376 34.65466 173.9197 30.55383 174.4018 27.36841 174.8839 26.10547 175.3661 28.98608 175.8482 33.62659 176.3303 36.79724 176.8124 37.46655 177.2945 37.75464 177.7766 40.39355 178.2588 44.71753 178.7409 48.48499 179.2230 50.61340 179.7051 51.00549 180.1872 49.31946 180.6693 44.67944 181.1515 39.23010 181.6336 36.33350 182.1157 35.69385 182.5978 35.26306 183.0799 33.16687 183.5620 29.95020 184.0442 27.76184 184.5263 27.75830 185.0084 27.81201 185.4905 22.71790 185.9726 12.77258 186.4547 3.532471 186.9369 0.2504880 187.4190 1.519287 187.9011 2.342407 188.3832 2.078613 188.8653 0.2753910 189.3474 5.188477 189.8296 14.61047 190.3117 23.79382 190.7938 29.30188 191.2759 31.41711 191.7580 32.11218 192.2401 31.27051 192.7223 29.70789 193.2044 30.40820 193.6865 33.78467 194.1686 37.23938 194.6507 38.00500 195.1328 36.23169 195.6150 34.59961 196.0971 33.31665 196.5792 32.67786 197.0613 34.70142 197.5434 40.02759 198.0255 44.85107 198.5077 44.35315 198.9898 38.37280 199.4719 33.08972 199.9540 30.14636 200.4361 29.06128 200.9182 27.30432 201.4004 24.52356 201.8825 21.91760 202.3646 21.14111 202.8467 22.41565 203.3288 22.87695 203.8109 21.82050 204.2931 19.32672 204.7752 15.93506 205.2573 11.40588 205.7394 6.548706 206.2215 2.076965 206.7036 2.123596 207.1858 5.630981 207.6679 8.242554 208.1500 10.00214 208.6321 11.33472 209.1142 11.70453 209.5963 12.60535 210.0785 16.22858 210.5606 23.71674 211.0427 29.74170 211.5248 32.66235 212.0069 32.57153 212.4890 32.92560 212.9712 33.54083 213.4533 34.79724 213.9354 37.31494 214.4175 41.29712 214.8996 45.89636 215.3817 51.16718 215.8639 57.14038 216.3460 62.16370 216.8281 66.15765 217.3102 69.26331 217.7923 71.73956 218.2744 73.67151 218.7565 74.53473 219.2387 73.77808 219.7208 71.24500 220.2029 71.10516 220.6850 74.89758 221.1671 79.31622 221.6492 80.42188 222.1314 76.25635 222.6135 73.20392 223.0956 73.54993 223.5777 77.44653 224.0598 78.62042 224.5419 75.26392 225.0241 71.09601 225.5062 70.37860 225.9883 75.66785 226.4704 79.03882 226.9525 78.00751 227.4346 72.16168 227.9168 69.39502 228.3989 71.03943 228.8810 74.36963 229.3631 76.60999 229.8452 77.01086 230.3273 77.73340 230.8095 79.40833 231.2916 82.08893 231.7737 83.85504 232.2558 84.07709 232.7379 84.06879 233.2200 85.33496 233.7022 88.76788 234.1843 91.70282 234.6664 93.42767 235.1485 93.96771 235.6306 95.09882 236.1127 96.77948 236.5949 98.99072 237.0770 101.8678 237.5591 106.2043 238.0412 109.6753 238.5233 111.8259 239.0054 112.6413 239.4876 112.7459 239.9697 111.0233 240.4518 109.7661 240.9339 111.1769 241.4160 116.7089 241.8981 122.0645 242.3803 126.6865 242.8624 130.5602 243.3445 133.6419 243.8266 135.6694 244.3087 137.2260 244.7908 138.7542 245.2730 140.4093 245.7551 141.7225 246.2372 142.3123 246.7193 142.2658 247.2014 143.0729 247.6835 144.7425 248.1657 146.5751 248.6478 148.5001 249.1299 151.6411 249.6120 153.0806 250.0941 152.0146 250.5762 148.8611 251.0584 146.4221 251.5405 144.7176 252.0226 143.3842 252.5047 142.5177 252.9868 142.7284 253.4689 142.5023 253.9511 141.7994 254.4332 140.5095 254.9153 137.8167 255.3974 132.3633 255.8795 127.1133 256.3616 124.4707 256.8438 125.7702 257.3259 127.4642 257.8080 129.5599 258.2901 131.5663 258.7722 131.9550 259.2543 130.0715 259.7365 127.7808 260.2186 125.9406 260.7007 124.6030 261.1828 123.1500 261.6649 121.5905 262.1470 120.0842 262.6292 118.9460 263.1113 118.5440 263.5934 118.0165 264.0755 116.7697 264.5576 114.4316 265.0397 112.4189 265.5219 110.5655 266.0040 109.0527 266.4861 108.4621 266.9682 109.1298 267.4503 109.7754 267.9324 110.1180 268.4146 110.4593 268.8967 109.4723 269.3788 106.1724 269.8609 102.2738 270.3430 101.7833 270.8251 105.8499 271.3073 109.5282 271.7894 110.6755 272.2715 109.1140 272.7536 107.4489 273.2357 105.4261 273.7178 103.7481 274.2000 103.6086 274.6821 105.2834 275.1642 107.1238 275.6463 108.7267 276.1284 110.0837 276.6105 110.5385 277.0927 109.7798 277.5748 108.6660 278.0569 108.4016 278.5390 109.1535 279.0211 110.1152 279.5032 111.4490 279.9854 112.8615 280.4675 111.8289 280.9496 107.8268 281.4317 103.4286 281.9138 101.5882 282.3959 102.3435 282.8781 102.5186 283.3602 100.9341 283.8423 98.36078 284.3244 98.00491 284.8065 100.1130 285.2886 102.2642 285.7708 102.3010 286.2529 100.4019 286.7350 98.19907 287.2171 95.60245 287.6992 93.12231 288.1813 92.84714 288.6635 94.91840 289.1456 96.80243 289.6277 96.06335 290.1098 93.08359 290.5919 90.83908 291.0740 90.20798 291.5562 89.98627 292.0383 87.14331 292.5204 81.78577 293.0025 77.10382 293.4846 75.53726 293.9667 76.39236 294.4489 77.42041 294.9310 78.54556 295.4131 79.32101 295.8952 79.17075 296.3773 78.07547 296.8594 76.01266 297.3416 72.07062 297.8237 67.19839 298.3058 63.61331 298.7879 61.61765 299.2700 61.00238 299.7521 62.52448 300.2343 65.35645 300.7164 66.84576 301.1985 64.49722 301.6806 60.49683 302.1627 58.31064 302.6448 58.05655 303.1270 58.62689 303.6091 59.27219 304.0912 59.90948 304.5733 60.41260 305.0554 61.04205 305.5375 61.38678 306.0197 60.82965 306.5018 59.46310 306.9839 58.07602 307.4660 57.43307 307.9481 57.01321 308.4302 55.97867 308.9124 53.33621 309.3945 50.79010 309.8766 49.96155 310.3587 50.62650 310.8408 51.50851 311.3229 51.43271 311.8051 51.32718 312.2872 52.34607 312.7693 55.70242 313.2514 58.38974 313.7335 58.33859 314.2156 56.18796 314.6978 53.74771 315.1799 50.76663 315.6620 48.53992 316.1441 48.37915 316.6262 51.10974 317.1083 53.62460 317.5905 54.49600 318.0726 54.33829 318.5547 54.20248 319.0368 54.97562 319.5189 55.40524 320.0010 54.35699 320.4832 51.14523 320.9653 49.47397 321.4474 52.32617 321.9295 56.59683 322.4116 58.65210 322.8937 55.67984 323.3759 52.37134 323.8580 49.68372 324.3401 47.69318 324.8222 47.16223 325.3043 50.54242 325.7864 54.15482 326.2686 55.17325 326.7507 49.92938 327.2328 45.82211 327.7149 44.27493 328.1970 45.07352 328.6791 45.52457 329.1613 45.68253 329.6434 45.39084 330.1255 44.49622 330.6076 41.43747 331.0897 40.08786 331.5718 41.86417 332.0540 45.36127 332.5361 46.43484 333.0182 43.19916 333.5003 40.04227 333.9824 38.88367 334.4645 40.67761 334.9467 41.51974 335.4288 41.20166 335.9109 40.07324 336.3930 38.49091 336.8751 35.89905 337.3572 34.17990 337.8394 34.25748 338.3215 36.24091 338.8036 36.93539 339.2857 35.88071 339.7678 34.34476 340.2499 34.07681 340.7320 35.51389 341.2141 35.39178 341.6963 32.28616 342.1784 27.12387 342.6605 24.47665 343.1426 24.71127 343.6247 25.79510 344.1068 26.46567 344.5890 26.68716 345.0711 25.75980 345.5532 23.07587 346.0353 19.90588 346.5174 19.26547 346.9995 21.11902 347.4817 23.07928 347.9638 23.80087 348.4459 23.46439 348.9280 22.55090 349.4101 20.97787 349.8922 19.33652 350.3744 18.56863 350.8565 18.45270 351.3386 18.12875 351.8207 16.94595 352.3028 15.38849 352.7849 14.24677 353.2671 13.53189 353.7492 12.99780 354.2313 13.14178 354.7134 13.22418 355.1955 11.82550 355.6776 6.925018 356.1598 1.834717 356.6419 2.4110000E-03 357.1240 0.9377750 357.6061 1.993195 358.0882 1.939270 358.5703 1.044250 359.0525 0.6395570 359.5346 3.687561 360.0167 6.334045 360.4988 7.593140 360.9809 7.687866 361.4630 7.093445 361.9452 5.421173 362.4273 3.561127 362.9094 1.768188 363.3915 0.1443180 363.8736 0.9253540 364.3557 0.9608760 364.8379 3.848969 365.3200 5.785583 365.8021 5.380341 366.2842 4.910706 366.7663 4.832855 367.2484 5.155884 367.7306 6.214539 368.2127 8.774323 368.6948 11.61172 369.1769 13.93384 369.6590 16.09869 370.1411 17.24243 370.6233 16.79041 371.1054 15.19415 371.5875 14.14175 372.0696 13.68634 372.5517 13.76230 373.0338 14.57358 373.5160 16.91122 373.9981 17.56210 374.4802 15.70859 374.9623 12.79510 375.4444 11.23752 375.9265 11.45450 376.4087 11.82468 376.8908 11.94672 377.3729 11.81998 377.8550 11.45093 378.3371 10.87430 378.8192 10.02155 379.3014 8.781647 379.7835 7.113068 380.2656 5.326416 380.7477 3.358704 381.2298 1.466797 381.7119 0.4740910 382.1941 0.4197080 382.6762 0.1981200 383.1583 0.9839480 383.6404 2.967102 384.1225 4.971191 384.6046 6.816010 385.0868 8.924988 385.5689 12.51151 386.0510 17.04980 386.5331 20.59406 387.0152 20.90714 387.4973 20.27219 387.9795 22.20099 388.4616 26.72745 388.9437 31.91031 389.4258 36.52072 389.9079 40.81244 390.3900 44.99655 390.8722 48.81186 391.3543 52.91544 391.8364 57.98364 392.3185 63.75641 392.8006 69.42654 393.2827 74.09897 393.7649 78.83777 394.2470 84.29138 394.7291 90.57474 395.2112 97.52585 395.6933 105.1689 396.1754 113.4301 396.6576 122.1857 397.1397 131.8033 397.6218 141.5051 398.1039 150.9366 398.5860 160.0287 399.0681 169.5769 399.5503 181.2260 400.0324 192.4239 400.5145 201.1442 400.9966 204.4210 401.4787 209.5008 401.9608 217.1183 402.4430 226.9164 402.9251 237.8751 403.4072 251.9413 403.8893 264.2213 404.3714 271.3387 404.8535 270.8278 405.3357 276.0302 405.8178 288.3401 406.2999 304.3639 406.7820 319.6241 407.2641 334.1352 407.7462 347.6287 408.2284 359.3600 408.7105 369.8928 409.1926 383.8726 409.6747 401.7267 410.1568 419.8617 410.6389 434.2406 411.1211 445.7025 411.6032 459.9338 412.0853 478.3683 412.5674 499.1241 413.0495 519.1677 413.5316 539.2422 414.0138 562.4360 414.4959 591.5803 414.9780 625.1944 415.4601 659.0193 415.9422 692.7386 416.4243 732.3132 416.9065 781.2162 417.3886 839.5182 417.8707 906.3815 418.3528 982.1962 418.8349 1066.701 419.3170 1163.223 419.7992 1270.948 420.2813 1380.054 420.7634 1490.972 421.2455 1601.099 421.7276 1708.515 422.2097 1813.546 422.6919 1916.191 423.1740 2014.317 423.6561 2111.086 424.1382 2213.685 424.6203 2316.379 425.1024 2429.056 425.5846 2553.120 426.0667 2687.649 426.5488 2839.864 427.0309 3007.966 427.5130 3197.222 427.9951 3410.592 428.4773 3643.258 428.9594 3910.638 429.4415 4213.854 429.9236 4550.681 430.4057 4922.841 430.8878 5329.637 431.3700 5768.057 431.8521 6240.218 432.3342 6746.298 432.8163 7271.505 433.2984 7818.551 433.7805 8375.367 434.2627 8927.587 434.7448 9476.389 435.2269 10032.20 435.7090 10609.35 436.1911 11193.50 436.6732 11775.71 437.1554 12350.85 437.6375 12855.06 438.1196 13277.62 438.6017 13592.27 439.0838 13740.17 439.5659 13700.95 440.0480 13569.75 440.5302 13349.48 441.0123 13103.44 441.4944 12937.99 441.9765 12857.74 442.4586 12903.77 442.9407 13101.73 443.4229 13448.88 443.9050 13933.36 444.3871 14588.67 444.8692 15348.98 445.3513 16176.45 445.8334 17097.11 446.3156 18029.98 446.7977 19008.01 447.2798 19976.59 447.7619 20835.54 448.2440 21707.59 448.7261 22322.12 449.2083 22653.18 449.6904 22711.88 450.1725 22315.54 450.6546 21388.62 451.1367 20110.24 451.6188 18562.17 452.1010 16629.66 452.5831 14768.94 453.0652 12959.11 453.5473 11265.56 454.0294 9798.114 454.5115 8558.329 454.9937 7497.442 455.4758 6597.970 455.9579 5855.049 456.4400 5230.746 456.9221 4723.425 457.4042 4300.086 457.8864 3932.377 458.3685 3619.615 458.8506 3350.655 459.3327 3131.504 459.8148 2945.164 460.2969 2778.307 460.7791 2627.952 461.2612 2489.633 461.7433 2364.084 462.2254 2246.824 462.7075 2136.684 463.1896 2032.734 463.6718 1932.833 464.1539 1838.136 464.6360 1746.509 465.1181 1657.448 465.6002 1569.620 466.0823 1485.344 466.5645 1405.676 467.0466 1330.616 467.5287 1259.988 468.0108 1192.562 468.4929 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