#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:26:13 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1088 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100042.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_8100042 loop_ _publ_author_name 'Chevrier, G.' 'Giester, G.' 'Heger, G.' 'Jarosch, D.' 'Wildner, M.' 'Zemann, J.' _publ_section_title ; Neutron single-crystal refinement of cerussite, PbCO3, and comparison with other aragonite-type carbonates Locality: Pribram, Czech Republic ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 67 _journal_page_last 74 _journal_volume 199 _journal_year 1992 _chemical_compound_source R050298 _chemical_formula_sum 'C O3 Pb' _chemical_name_mineral Cerussite _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2n 2a' _symmetry_space_group_name_H-M 'P m c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.179 _cell_length_b 8.492 _cell_length_c 6.141 _cell_volume 270.082 _exptl_crystal_density_diffrn 6.572 _cod_original_formula_sum 'Pb C O3' _cod_database_code 9008411 _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 helium-neon _raman_measurement_device.excitation_laser_wavelength 780 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 12 _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 R050298.rod _rod_data_source.block 3500000 _rod_database.code 8100042 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 9008411 COD http://www.crystallography.net/cod/9008411.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 114.7008 0.0000000E+00 115.1829 5.344971 115.6650 0.1594240 116.1471 2.640839 116.6293 10.72971 117.1114 16.19739 117.5935 16.73654 118.0756 15.30737 118.5577 18.59949 119.0398 16.93219 119.5220 12.35812 120.0041 11.78317 120.4862 13.06158 120.9683 11.24573 121.4504 4.560272 121.9325 2.211792 122.4147 5.453094 122.8968 5.042847 123.3789 2.688873 123.8610 3.408447 124.3431 10.15109 124.8252 13.88184 125.3074 12.06796 125.7895 8.340057 126.2716 10.84885 126.7537 23.50958 127.2358 35.65189 127.7179 44.06619 128.2001 49.98965 128.6822 54.97876 129.1643 59.74310 129.6464 64.38995 130.1285 70.07339 130.6106 78.06570 131.0928 85.98959 131.5749 92.18848 132.0570 97.68863 132.5391 105.3013 133.0212 118.1382 133.5033 138.0394 133.9855 149.7695 134.4676 150.6342 134.9497 147.4636 135.4318 141.3325 135.9139 133.4120 136.3960 128.0851 136.8782 130.8502 137.3603 143.4448 137.8424 156.9305 138.3245 175.0348 138.8066 192.1592 139.2887 199.3399 139.7709 192.6486 140.2530 183.5909 140.7351 187.3504 141.2172 202.4133 141.6993 219.8817 142.1814 235.3614 142.6636 249.9681 143.1457 268.5734 143.6278 295.1171 144.1099 322.5712 144.5920 345.6427 145.0741 364.1401 145.5563 379.9870 146.0384 393.4464 146.5205 403.8492 147.0026 417.3856 147.4847 436.8905 147.9668 458.8784 148.4490 482.7877 148.9311 508.1107 149.4132 533.1584 149.8953 555.7147 150.3774 577.1021 150.8595 592.6689 151.3417 601.5110 151.8238 606.0153 152.3059 607.4322 152.7880 606.3435 153.2701 603.3450 153.7522 600.0052 154.2344 603.7595 154.7165 597.7734 155.1986 577.4233 155.6807 548.1162 156.1628 514.4808 156.6449 478.1521 157.1271 441.8136 157.6092 417.5470 158.0913 412.5323 158.5734 408.6570 159.0555 400.9134 159.5376 390.4747 160.0198 380.4760 160.5019 372.6907 160.9840 366.6895 161.4661 360.4676 161.9482 352.8844 162.4303 346.2287 162.9125 341.4749 163.3946 338.6431 163.8767 338.7855 164.3588 344.0444 164.8409 352.4724 165.3230 360.8551 165.8052 368.9771 166.2873 376.5485 166.7694 381.5721 167.2515 381.9781 167.7336 387.2161 168.2157 408.3826 168.6979 435.0668 169.1800 454.2860 169.6621 457.6173 170.1442 452.0807 170.6263 458.1721 171.1084 483.3946 171.5906 509.0179 172.0727 532.5364 172.5548 551.7495 173.0369 563.7376 173.5190 565.5193 174.0011 558.6622 174.4833 555.6079 174.9654 563.1183 175.4475 567.7549 175.9296 567.3281 176.4117 561.8839 176.8938 552.1053 177.3760 538.4121 177.8581 520.7810 178.3402 499.7592 178.8223 468.7347 179.3044 441.1326 179.7865 424.9290 180.2687 417.0793 180.7508 407.9377 181.2329 388.6830 181.7150 357.8376 182.1971 333.2100 182.6792 320.2515 183.1614 308.0717 183.6435 288.9884 184.1256 263.3332 184.6077 238.4401 185.0898 221.3267 185.5719 212.7283 186.0540 202.2301 186.5362 188.2329 187.0183 173.0787 187.5004 158.6315 187.9825 145.0114 188.4646 132.5363 188.9467 121.7008 189.4289 112.3346 189.9110 103.7540 190.3931 96.01624 190.8752 88.93994 191.3573 81.85553 191.8394 74.23166 192.3216 68.04807 192.8037 65.77319 193.2858 66.10266 193.7679 66.21448 194.2500 63.92270 194.7321 60.35217 195.2143 59.57596 195.6964 64.12778 196.1785 67.59750 196.6606 65.53793 197.1427 59.88437 197.6248 54.93250 198.1070 53.98688 198.5891 56.55212 199.0712 57.48093 199.5533 54.43127 200.0354 52.31815 200.5175 53.89529 200.9997 57.95782 201.4818 61.51425 201.9639 61.60269 202.4460 58.02887 202.9281 58.06415 203.4102 66.61322 203.8924 74.54556 204.3745 78.65765 204.8566 79.72473 205.3387 80.24231 205.8208 82.35025 206.3029 86.19720 206.7851 90.57199 207.2672 95.80643 207.7493 100.9484 208.2314 105.7823 208.7135 110.3173 209.1956 115.0114 209.6778 119.7341 210.1599 124.0421 210.6420 128.4269 211.1241 134.4669 211.6062 139.6935 212.0883 141.6016 212.5705 140.7197 213.0526 140.5770 213.5347 145.0183 214.0168 154.9558 214.4989 160.6713 214.9810 161.5313 215.4632 158.8910 215.9453 151.8748 216.4274 141.2283 216.9095 131.7327 217.3916 127.7593 217.8737 128.9999 218.3559 127.5720 218.8380 122.5952 219.3201 116.2396 219.8022 109.0563 220.2843 100.9534 220.7664 94.85327 221.2486 94.52660 221.7307 98.55505 222.2128 100.8973 222.6949 100.2920 223.1770 97.88226 223.6591 94.00186 224.1413 88.18889 224.6234 83.82907 225.1055 85.63947 225.5876 90.64725 226.0697 93.30006 226.5518 90.87206 227.0340 85.82297 227.5161 81.68683 227.9982 78.60876 228.4803 76.05017 228.9624 74.10043 229.4445 72.38062 229.9267 70.20062 230.4088 66.66521 230.8909 63.14552 231.3730 62.86305 231.8551 67.48077 232.3372 71.02170 232.8194 69.79852 233.3015 66.60532 233.7836 64.43033 234.2657 64.26793 234.7478 66.10428 235.2299 70.37029 235.7121 78.66656 236.1942 86.28714 236.6763 92.32880 237.1584 96.89218 237.6405 99.73782 238.1227 100.5563 238.6048 100.3836 239.0869 102.1730 239.5690 108.2610 240.0511 112.1435 240.5332 111.2742 241.0154 108.5446 241.4975 106.9034 241.9796 107.6311 242.4617 109.6809 242.9438 110.3599 243.4259 108.3663 243.9081 106.9586 244.3902 107.7893 244.8723 108.7222 245.3544 107.5305 245.8365 103.3641 246.3186 97.37289 246.8007 91.93521 247.2829 85.54341 247.7650 82.34790 248.2471 86.42120 248.7292 91.57425 249.2113 91.49203 249.6934 84.17410 250.1756 73.14238 250.6577 65.27702 251.1398 63.60808 251.6219 61.01744 252.1040 56.68071 252.5861 51.93260 253.0683 48.29016 253.5504 46.13660 254.0325 44.16133 254.5146 40.01596 254.9967 30.60240 255.4788 25.04610 255.9610 27.44493 256.4431 31.33583 256.9252 30.55881 257.4073 23.81279 257.8894 14.88727 258.3716 8.705353 258.8537 6.144897 259.3358 4.835335 259.8179 6.239876 260.3000 7.994568 260.7821 7.695450 261.2643 5.014435 261.7464 1.971558 262.2285 0.9125370 262.7106 2.468208 263.1927 2.886734 263.6748 0.6556320 264.1570 1.810501 264.6391 1.740150 265.1212 0.9778060 265.6033 3.040497 266.0854 0.6948850 266.5675 6.255180 267.0497 10.13910 267.5318 8.023994 268.0139 4.680984 268.4960 4.134529 268.9781 6.511238 269.4602 9.036110 269.9424 9.496094 270.4245 8.171074 270.9066 7.681084 271.3887 9.050156 271.8708 10.53406 272.3529 10.41426 272.8351 8.844292 273.3172 7.976135 273.7993 10.09191 274.2814 13.56158 274.7635 13.40650 275.2456 6.223602 275.7278 0.9300460 276.2099 2.448929 276.6920 1.047943 277.1741 4.509270 277.6562 5.722443 278.1383 5.203896 278.6204 4.411728 279.1025 3.194054 279.5847 1.982300 280.0668 1.226349 280.5489 0.8176570 281.0310 1.8821999E-02 281.5131 2.024170 281.9952 4.078102 282.4774 4.481628 282.9595 2.947273 283.4416 1.484276 283.9237 1.419296 284.4058 2.472336 284.8879 3.408066 285.3701 3.769081 285.8522 4.166794 286.3343 5.502228 286.8164 7.714470 287.2985 9.391525 287.7806 9.020515 288.2628 7.431095 288.7449 7.702370 289.2270 11.37936 289.7091 14.88328 290.1912 14.63940 290.6733 11.61455 291.1555 9.214191 291.6376 9.812599 292.1197 12.09271 292.6018 12.60642 293.0839 10.32054 293.5660 8.388901 294.0482 9.025082 294.5303 11.42506 295.0124 14.41029 295.4945 18.50235 295.9766 22.37684 296.4587 23.22884 296.9409 20.23356 297.4230 17.07619 297.9051 15.89878 298.3872 15.57694 298.8693 14.75336 299.3514 12.78002 299.8336 10.61573 300.3157 9.538898 300.7978 9.673164 301.2799 10.15883 301.7620 10.39193 302.2441 10.99704 302.7263 12.80487 303.2084 16.15112 303.6905 19.70855 304.1726 22.36023 304.6547 24.09394 305.1368 24.75842 305.6190 23.46225 306.1011 21.71483 306.5832 20.53088 307.0653 19.99414 307.5474 19.99220 308.0295 20.56320 308.5117 21.67695 308.9938 23.07654 309.4759 25.95964 309.9580 27.49892 310.4401 24.88214 310.9222 19.16602 311.4044 14.36881 311.8865 13.43061 312.3686 15.61780 312.8507 17.79961 313.3328 20.13879 313.8149 22.07029 314.2971 23.46464 314.7792 24.30275 315.2613 24.42183 315.7434 23.18308 316.2255 21.52152 316.7076 21.80797 317.1898 24.84932 317.6719 27.62850 318.1540 28.87528 318.6361 29.13411 319.1182 28.74891 319.6003 27.62733 320.0825 26.41519 320.5646 26.09826 321.0467 26.81797 321.5288 27.49178 322.0109 27.56329 322.4930 27.53395 322.9752 28.05815 323.4573 29.16191 323.9394 29.78392 324.4215 28.05713 324.9036 24.20424 325.3857 21.53774 325.8679 20.91497 326.3500 21.37919 326.8321 22.49976 327.3142 24.08353 327.7963 25.35508 328.2784 25.93438 328.7606 25.81051 329.2427 24.84291 329.7248 22.32304 330.2069 20.28016 330.6890 20.34337 331.1711 21.71875 331.6533 22.70442 332.1354 22.89791 332.6175 22.23652 333.0996 19.69862 333.5817 13.85352 334.0638 10.38182 334.5460 15.73282 335.0281 23.61577 335.5102 26.71780 335.9923 22.08352 336.4744 15.02308 336.9565 11.64288 337.4387 12.14054 337.9208 13.15752 338.4029 14.09204 338.8850 14.71494 339.3671 14.62465 339.8492 13.67694 340.3314 12.99298 340.8135 13.92616 341.2956 16.02193 341.7777 16.73052 342.2598 14.86682 342.7419 12.66331 343.2241 12.03270 343.7062 12.74132 344.1883 13.76067 344.6704 15.23441 345.1525 16.56037 345.6346 16.00712 346.1168 12.80459 346.5989 9.905964 347.0810 10.23825 347.5631 12.31020 348.0452 13.58009 348.5273 12.97410 349.0095 11.65840 349.4916 10.90355 349.9737 10.73369 350.4558 10.77582 350.9379 11.00559 351.4200 11.24262 351.9022 11.10516 352.3843 10.29705 352.8664 9.940510 353.3485 11.24194 353.8306 13.73732 354.3127 15.50212 354.7949 15.77078 355.2770 15.47704 355.7591 16.15864 356.2412 17.83406 356.7233 18.39459 357.2054 16.23717 357.6876 12.74899 358.1697 9.904982 358.6518 7.904572 359.1339 7.062355 359.6160 8.538330 360.0981 11.70868 360.5803 13.12071 361.0624 10.52351 361.5445 7.397655 362.0266 6.471714 362.5087 7.648180 362.9908 10.03229 363.4730 13.96815 363.9551 18.21198 364.4372 19.11679 364.9193 14.87074 365.4014 10.70271 365.8835 8.471294 366.3657 7.834070 366.8478 8.372061 367.3299 10.16417 367.8120 12.19024 368.2941 12.72633 368.7762 11.45943 369.2584 10.17111 369.7405 8.656939 370.2226 7.681147 370.7047 8.048218 371.1868 9.777521 371.6689 11.41309 372.1511 11.50552 372.6332 9.958515 373.1153 8.917145 373.5974 8.612923 374.0795 8.507389 374.5616 8.549301 375.0438 8.611134 375.5259 8.287066 376.0080 7.266104 376.4901 5.893557 376.9722 5.436192 377.4543 7.449736 377.9365 8.357731 378.4186 6.809740 378.9007 4.461449 379.3828 3.002649 379.8649 2.919630 380.3470 3.663296 380.8292 4.474007 381.3113 5.331511 381.7934 6.363422 382.2755 8.932995 382.7576 10.48000 383.2397 8.516975 383.7219 3.968784 384.2040 8.7674998E-02 384.6861 0.4441410 385.1682 2.124981 385.6503 3.826147 386.1324 3.292669 386.6146 3.381781 387.0967 5.405577 387.5788 8.010647 388.0609 9.523449 388.5430 9.247471 389.0251 7.774281 389.5073 6.202194 389.9894 4.363571 390.4715 2.776493 390.9536 0.7745610 391.4357 0.5294380 391.9178 9.1091000E-02 392.4000 2.010464 392.8821 4.671986 393.3642 7.189474 393.8463 9.616726 394.3284 9.913618 394.8105 5.650864 395.2927 2.033115 395.7748 1.380203 396.2569 2.439606 396.7390 2.970245 397.2211 1.710024 397.7032 0.4118100 398.1854 1.175192 398.6675 5.5500001E-02 399.1496 0.8593350 399.6317 0.5069120 400.1138 6.2999999E-05 400.5959 0.2025950 401.0780 1.263527 401.5602 2.699783 402.0423 4.380714 402.5244 6.219448 403.0065 7.204426 403.4886 7.003588 403.9707 6.169769 404.4529 4.713133 404.9350 2.952143 405.4171 1.867615 405.8992 2.370073 406.3813 3.542311 406.8634 3.945137 407.3456 3.519735 407.8277 2.856033 408.3098 1.903811 408.7919 1.063879 409.2740 1.122036 409.7561 2.578344 410.2383 3.717175 410.7204 2.890879 411.2025 0.8956170 411.6846 0.2223320 412.1667 1.768589 412.6488 3.959770 413.1310 4.745613 413.6131 4.180901 414.0952 3.980700 414.5773 5.103798 415.0594 6.268654 415.5415 6.130371 416.0237 4.731707 416.5058 3.091740 416.9879 1.696999 417.4700 0.6859470 417.9521 0.7452160 418.4342 3.222719 418.9164 4.944008 419.3985 4.608082 419.8806 3.119917 420.3627 1.737522 420.8448 0.8670330 421.3269 0.2394330 421.8091 0.6064320 422.2912 2.079008 422.7733 2.452148 423.2554 0.9101430 423.7375 0.9022220 424.2196 2.293436 424.7018 3.196684 425.1839 3.858002 425.6660 4.526966 426.1481 5.026703 426.6302 4.109451 427.1123 1.222836 427.5945 4.201843 428.0766 2.293047 428.5587 1.445311 429.0408 4.007526 429.5229 4.464878 430.0050 3.841545 430.4872 3.391560 430.9693 3.006491 431.4514 3.251936 431.9335 5.748207 432.4156 7.432121 432.8977 6.221895 433.3799 3.127644 433.8620 0.8622300 434.3441 1.491587 434.8262 3.805405 435.3083 4.020058 435.7904 1.122442 436.2726 1.092583 436.7547 0.6455230 437.2368 0.7588100 437.7189 1.722553 438.2010 1.978176 438.6831 1.996035 439.1653 2.145317 439.6474 2.394064 440.1295 2.563526 440.6116 2.588188 441.0937 2.608049 441.5758 2.933193 442.0580 3.375969 442.5401 3.297119 443.0222 2.046114 443.5043 0.5529020 443.9864 0.5185150 444.4685 1.107321 444.9507 0.5841830 445.4328 1.882050 445.9149 5.084791 446.3970 6.081568 446.8791 4.171627 447.3612 2.548111 447.8434 2.300999 448.3255 2.687765 448.8076 2.728348 449.2897 2.271744 449.7718 1.974115 450.2539 2.576645 450.7361 4.157604 451.2182 4.610382 451.7003 2.908693 452.1824 1.367493 452.6645 0.6808360 453.1466 0.7628880 453.6288 1.709261 454.1109 3.560942 454.5930 5.471992 455.0751 5.613579 455.5572 2.106905 456.0393 0.5288980 456.5215 2.459101 457.0036 4.707094 457.4857 5.420319 457.9678 4.684652 458.4499 3.577995 458.9320 2.867796 459.4142 2.499187 459.8963 2.157270 460.3784 1.933428 460.8605 1.580769 461.3426 0.4463710 461.8247 0.5613650 462.3069 0.2573170 462.7890 1.644655 463.2711 3.693012 463.7532 4.219917 464.2353 3.349516 464.7174 2.808275 465.1996 2.929449 465.6817 3.234324 466.1638 2.998709 466.6459 2.576857 467.1280 2.828451 467.6101 4.784283 468.0923 6.882605 468.5744 7.012291 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495.5729 7.321795 496.0550 10.62377 496.5371 11.18317 497.0193 6.516932 497.5014 2.439371 497.9835 0.4110490 498.4656 0.1465030 498.9477 1.720221 499.4298 4.995859 499.9120 8.402102 500.3941 9.554501 500.8762 7.848446 501.3583 6.316000 501.8404 4.964191 502.3225 3.739838 502.8047 2.658699 503.2868 1.754827 503.7689 1.019663 504.2510 0.4096620 504.7331 0.1498200 505.2152 0.8977790 505.6974 2.916145 506.1795 4.344021 506.6616 4.778286 507.1437 4.501413 507.6258 3.363583 508.1079 1.579102 508.5901 0.2358440 509.0722 0.1642250 509.5543 0.6792700 510.0364 0.7324050 510.5185 0.3254090 511.0006 1.5299000E-02 511.4828 8.8900002E-03 511.9649 0.3208690 512.4470 1.436075 512.9291 3.784168 513.4112 5.417837 513.8933 5.555267 514.3754 4.900084 514.8575 3.999523 515.3397 2.985090 515.8218 2.023727 516.3039 1.224400 516.7860 0.5860690 517.2681 0.1291850 517.7502 0.3454800 518.2324 0.4104460 518.7145 5.7259998E-03 519.1966 0.9096640 519.6787 2.573681 520.1608 4.902220 520.6429 7.145016 521.1251 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