#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:15:27 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1034 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100034.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_8100034 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 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 R050298.rod _rod_data_source.block 3500000 _rod_database.code 8100034 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 114.0488 0.0000000E+00 114.5309 7.944946 115.0130 0.4558110 115.4951 3.427612 115.9772 1.206360 116.4594 5.004395 116.9415 18.43323 117.4236 47.19928 117.9057 80.46906 118.3878 106.6268 118.8699 115.5350 119.3521 120.4860 119.8342 129.2968 120.3163 142.5934 120.7984 156.2845 121.2805 167.0120 121.7626 176.3586 122.2448 187.1066 122.7269 204.0206 123.2090 221.1672 123.6911 232.5289 124.1732 236.9445 124.6553 237.5449 125.1375 232.4359 125.6196 224.5686 126.1017 223.3447 126.5838 237.8354 127.0659 262.1852 127.5480 286.6554 128.0302 310.8359 128.5123 332.9742 128.9944 347.2782 129.4765 354.8719 129.9586 366.4604 130.4407 393.3412 130.9229 431.7380 131.4050 467.0908 131.8871 496.8890 132.3692 520.8147 132.8513 535.7114 133.3334 538.4695 133.8156 530.4525 134.2977 519.3330 134.7798 510.7850 135.2619 500.5048 135.7440 485.0647 136.2261 467.3300 136.7083 463.1249 137.1904 476.5522 137.6725 490.4709 138.1546 483.5874 138.6367 450.7869 139.1188 426.2576 139.6010 419.7955 140.0831 431.3452 140.5652 443.3942 141.0473 457.1337 141.5294 469.9760 142.0115 477.0918 142.4937 474.2567 142.9758 475.7052 143.4579 487.1102 143.9400 511.6222 144.4221 529.3713 144.9042 534.4662 145.3864 536.1632 145.8685 550.4264 146.3506 583.2256 146.8327 620.3561 147.3148 659.0247 147.7969 704.3475 148.2791 739.1810 148.7612 759.6075 149.2433 770.0532 149.7254 780.8759 150.2075 795.6815 150.6896 807.7500 151.1718 814.7449 151.6539 817.9618 152.1360 814.5701 152.6181 803.1715 153.1002 785.0277 153.5823 763.8926 154.0645 738.2880 154.5466 710.8071 155.0287 682.8638 155.5108 659.9641 155.9929 629.5674 156.4750 583.9161 156.9572 527.3695 157.4393 478.8038 157.9214 445.4020 158.4035 418.6776 158.8856 393.2146 159.3677 363.4037 159.8499 339.0286 160.3320 327.1832 160.8141 325.4596 161.2962 319.2710 161.7783 293.7086 162.2604 266.1605 162.7426 250.9508 163.2247 263.8070 163.7068 279.7655 164.1889 285.1136 164.6710 280.8506 165.1531 282.8507 165.6353 305.4418 166.1174 336.1091 166.5995 361.3936 167.0816 367.3129 167.5637 373.0967 168.0458 393.5913 168.5280 428.7612 169.0101 463.3582 169.4922 485.1237 169.9743 500.4921 170.4564 518.3229 170.9385 544.0106 171.4207 572.6263 171.9028 599.4916 172.3849 628.1085 172.8670 649.8917 173.3491 654.3267 173.8312 647.4600 174.3134 640.7965 174.7955 640.8035 175.2776 643.3251 175.7597 645.8687 176.2418 649.1431 176.7239 645.3956 177.2061 623.7755 177.6882 588.6722 178.1703 552.5779 178.6524 516.2677 179.1345 483.6652 179.6166 465.5537 180.0988 464.9027 180.5809 464.8901 181.0630 444.7563 181.5451 407.9781 182.0272 369.4478 182.5093 335.7217 182.9915 305.5046 183.4736 275.5479 183.9557 244.5607 184.4378 216.5457 184.9199 198.7625 185.4020 190.1354 185.8842 180.3909 186.3663 161.6206 186.8484 136.7398 187.3305 117.0724 187.8126 103.4404 188.2947 94.61243 188.7769 90.32568 189.2590 90.33984 189.7411 89.59851 190.2232 82.97485 190.7053 72.02881 191.1874 67.29370 191.6696 70.85059 192.1517 78.39807 192.6338 81.03503 193.1159 78.51233 193.5980 77.79657 194.0801 84.49744 194.5623 97.95825 195.0444 109.0544 195.5265 116.5823 196.0086 121.8384 196.4907 127.3413 196.9728 133.1002 197.4550 138.9536 197.9371 143.6646 198.4192 147.1378 198.9013 155.2606 199.3834 169.4166 199.8655 187.5211 200.3477 205.1808 200.8298 222.4410 201.3119 238.9008 201.7940 253.7769 202.2761 266.7249 202.7582 281.9565 203.2404 300.7280 203.7225 321.4132 204.2046 339.1451 204.6867 352.8836 205.1688 367.1150 205.6509 384.4854 206.1331 405.1393 206.6152 426.6168 207.0973 449.2291 207.5794 473.0618 208.0615 497.9034 208.5436 524.5737 209.0258 550.0447 209.5079 572.1182 209.9900 590.1072 210.4721 604.3610 210.9542 614.3215 211.4363 621.9194 211.9185 632.4647 212.4006 647.3976 212.8827 661.0676 213.3648 670.0466 213.8469 673.7700 214.3290 676.6289 214.8112 679.7537 215.2933 681.5760 215.7754 676.8060 216.2575 664.0330 216.7396 646.8561 217.2217 626.4205 217.7038 600.1568 218.1860 580.2020 218.6681 570.5086 219.1502 567.8322 219.6323 559.0207 220.1144 541.1804 220.5965 521.0737 221.0787 502.9520 221.5608 487.7288 222.0429 472.5176 222.5250 456.5321 223.0071 440.6085 223.4892 429.1800 223.9714 425.3865 224.4535 421.0005 224.9356 410.1266 225.4177 387.1505 225.8998 371.4448 226.3819 367.1763 226.8641 370.4839 227.3462 368.2743 227.8283 359.1064 228.3104 347.0322 228.7925 333.8224 229.2746 318.1682 229.7568 303.2598 230.2389 288.7178 230.7210 274.9972 231.2031 263.9549 231.6852 255.5922 232.1673 250.2595 232.6495 248.8853 233.1316 255.6451 233.6137 255.9030 234.0958 246.9863 234.5779 232.1091 235.0600 220.0726 235.5422 210.6232 236.0243 204.2109 236.5064 201.2625 236.9885 203.1887 237.4706 205.3909 237.9527 207.4974 238.4349 210.0991 238.9170 215.0917 239.3991 225.4899 239.8812 233.5020 240.3633 235.4155 240.8454 228.1800 241.3276 222.7361 241.8097 220.7784 242.2918 220.1129 242.7739 215.0955 243.2560 200.1688 243.7381 189.4237 244.2203 190.0266 244.7024 209.4732 245.1845 218.8141 245.6666 214.2484 246.1487 201.3797 246.6308 190.7610 247.1130 183.9804 247.5951 176.8559 248.0772 167.7039 248.5593 155.4290 249.0414 144.8633 249.5235 136.7928 250.0057 130.0100 250.4878 122.1871 250.9699 112.6152 251.4520 103.1394 251.9341 94.50760 252.4162 86.80414 252.8984 79.21115 253.3805 71.38150 253.8626 63.83286 254.3447 57.66147 254.8268 53.03937 255.3089 49.19534 255.7911 46.90030 256.2732 46.85507 256.7553 41.74127 257.2374 28.47079 257.7195 13.12659 258.2017 3.148895 258.6838 0.3104860 259.1659 1.168518 259.6480 0.9177250 260.1301 6.282806 260.6122 6.238556 261.0944 1.688965 261.5765 11.92838 262.0586 18.88828 262.5407 22.27332 263.0228 22.98950 263.5049 19.75845 263.9871 12.90836 264.4692 11.27057 264.9513 16.74261 265.4334 24.38025 265.9155 30.60486 266.3976 36.09027 266.8798 36.91391 267.3619 30.27112 267.8440 17.63486 268.3261 11.85959 268.8082 15.18698 269.2903 20.64993 269.7725 22.24857 270.2546 18.72104 270.7367 17.09035 271.2188 19.23849 271.7009 23.81592 272.1830 25.14476 272.6652 22.67149 273.1473 18.34578 273.6294 12.66850 274.1115 5.016129 274.5936 5.2551001E-02 275.0757 2.034622 275.5579 1.230347 276.0400 2.553436 276.5221 10.42422 277.0042 16.79539 277.4863 17.54465 277.9684 12.17654 278.4506 7.977737 278.9327 5.504501 279.4148 4.296402 279.8969 3.563019 280.3790 3.369781 280.8611 3.241669 281.3433 3.383301 281.8254 3.786499 282.3075 2.206619 282.7896 1.805954 283.2717 6.944077 283.7538 11.65062 284.2360 15.97409 284.7181 18.75502 285.2002 18.37161 285.6823 15.37076 286.1644 15.16353 286.6465 18.27873 287.1287 22.36629 287.6108 24.83751 288.0929 25.70407 288.5750 24.97318 289.0571 20.83417 289.5392 15.01726 290.0214 15.33101 290.5035 22.27917 290.9856 31.13075 291.4677 37.56683 291.9498 41.75705 292.4319 44.58958 292.9141 45.90048 293.3962 46.27823 293.8783 47.41302 294.3604 49.32790 294.8425 50.50674 295.3246 48.27925 295.8068 43.98001 296.2889 42.44829 296.7710 45.97369 297.2531 51.39536 297.7352 53.45367 298.2173 52.41449 298.6995 50.48166 299.1816 48.40764 299.6637 46.68761 300.1458 46.61080 300.6279 48.78836 301.1100 51.82677 301.5922 54.06764 302.0743 55.67292 302.5564 57.31537 303.0385 60.03790 303.5206 62.82990 304.0027 63.86953 304.4849 62.51013 304.9670 61.12228 305.4491 62.60456 305.9312 65.89859 306.4133 68.44940 306.8954 67.78149 307.3776 66.39311 307.8597 67.30045 308.3418 70.91153 308.8239 74.18052 309.3060 74.53567 309.7881 73.10969 310.2703 71.74222 310.7524 70.61635 311.2345 70.20407 311.7166 71.38464 312.1987 74.08081 312.6808 76.29259 313.1630 76.63348 313.6451 75.98992 314.1272 75.28700 314.6093 74.02094 315.0914 73.57328 315.5735 74.55167 316.0557 76.92091 316.5378 80.50825 317.0199 88.34324 317.5020 95.59818 317.9841 98.39398 318.4662 92.10136 318.9484 86.77487 319.4305 86.00783 319.9126 88.47012 320.3947 90.77899 320.8768 93.00051 321.3589 94.42738 321.8411 94.58072 322.3232 92.40248 322.8053 90.08949 323.2874 88.04667 323.7695 86.01273 324.2516 83.58937 324.7338 80.56802 325.2159 78.33228 325.6980 77.56770 326.1801 77.94592 326.6622 78.43733 327.1443 79.89494 327.6265 81.10740 328.1086 80.92902 328.5907 78.45647 329.0728 75.04565 329.5549 69.93327 330.0370 63.28899 330.5192 59.43863 331.0013 60.03958 331.4834 62.31369 331.9655 64.56799 332.4476 67.22932 332.9297 68.36531 333.4119 66.55246 333.8940 62.61531 334.3761 61.24516 334.8582 64.95067 335.3403 67.87065 335.8224 66.76456 336.3046 59.46746 336.7867 54.13453 337.2688 51.04323 337.7509 49.71457 338.2330 49.40480 338.7151 50.46088 339.1973 51.44203 339.6794 52.11937 340.1615 52.68106 340.6436 51.25895 341.1257 47.10046 341.6078 42.61171 342.0899 41.14146 342.5721 42.81371 343.0542 45.14191 343.5363 48.10184 344.0184 51.11784 344.5005 50.61216 344.9826 46.17757 345.4648 41.31524 345.9469 39.47273 346.4290 40.22636 346.9111 40.69630 347.3932 40.29630 347.8753 39.42927 348.3575 38.63517 348.8396 37.90281 349.3217 37.09665 349.8038 35.39452 350.2859 33.57263 350.7680 33.79875 351.2502 36.59803 351.7323 40.33910 352.2144 43.71521 352.6965 46.61523 353.1786 48.57581 353.6607 49.47974 354.1429 49.25336 354.6250 47.00817 355.1071 42.63802 355.5892 39.38445 356.0713 41.56024 356.5534 46.05629 357.0356 48.28083 357.5177 44.81839 357.9998 40.00292 358.4819 36.53263 358.9640 34.34415 359.4461 33.12745 359.9283 33.21014 360.4104 33.92496 360.8925 34.70221 361.3746 35.22454 361.8567 36.07705 362.3388 37.67676 362.8210 39.75276 363.3031 41.76485 363.7852 44.57932 364.2673 46.47123 364.7494 46.28170 365.2315 43.20749 365.7137 40.56068 366.1958 39.63552 366.6779 39.29268 367.1600 38.16816 367.6421 35.29554 368.1242 32.44750 368.6064 29.77794 369.0885 27.26982 369.5706 25.62752 370.0527 25.03770 370.5348 25.17083 371.0169 25.94112 371.4991 28.63696 371.9812 29.68445 372.4633 28.12002 372.9454 24.76437 373.4275 22.58093 373.9096 22.15508 374.3918 21.88681 374.8739 20.85232 375.3560 18.52987 375.8381 17.75468 376.3202 18.98134 376.8023 21.08627 377.2845 22.45293 377.7666 23.02905 378.2487 23.17838 378.7308 22.95153 379.2129 22.37347 379.6950 21.37651 380.1772 19.76375 380.6593 18.64922 381.1414 19.64857 381.6235 22.45569 382.1056 24.37949 382.5877 25.03881 383.0699 24.26708 383.5520 20.73519 384.0341 14.75043 384.5162 9.727539 384.9983 7.661797 385.4804 8.123981 385.9626 10.94428 386.4447 16.63502 386.9268 21.75080 387.4089 22.09558 387.8910 19.18281 388.3731 16.36887 388.8553 14.74976 389.3374 13.98633 389.8195 13.92317 390.3016 14.51179 390.7837 15.17274 391.2658 15.97572 391.7480 16.45807 392.2301 16.06127 392.7122 13.66064 393.1943 11.74914 393.6764 11.93696 394.1585 13.56937 394.6407 14.86373 395.1228 15.90074 395.6049 15.96116 396.0870 14.44197 396.5691 10.78323 397.0512 7.207542 397.5334 2.998657 398.0155 0.5516890 398.4976 1.794910 398.9797 1.691647 399.4618 5.031403 399.9439 7.522972 400.4261 9.177879 400.9082 9.936600 401.3903 8.974632 401.8724 7.904984 402.3545 7.761398 402.8366 8.964813 403.3188 10.32520 403.8009 12.35255 404.2830 14.24758 404.7651 13.27911 405.2472 8.119507 405.7293 3.924973 406.2115 3.386681 406.6936 6.652931 407.1757 8.109451 407.6578 7.366135 408.1399 5.858887 408.6220 5.318542 409.1042 5.729553 409.5863 5.776413 410.0684 4.738258 410.5505 3.500015 411.0326 4.530762 411.5147 7.837471 411.9969 10.50637 412.4790 9.487686 412.9611 6.341995 413.4432 5.072937 413.9253 6.541626 414.4074 8.701675 414.8896 9.665878 415.3717 9.611420 415.8538 8.911011 416.3359 7.271538 416.8180 5.391479 417.3001 3.466759 417.7823 1.585396 418.2644 1.062775 418.7465 4.093613 419.2286 8.206543 419.7107 10.92951 420.1928 10.82001 420.6750 10.36055 421.1571 10.81074 421.6392 11.64634 422.1213 11.49767 422.6034 8.869263 423.0855 6.160027 423.5677 4.315353 424.0498 3.560608 424.5319 3.180687 425.0140 3.404518 425.4961 3.839355 425.9782 4.095802 426.4604 4.175865 426.9425 4.017807 427.4246 3.016815 427.9067 1.559708 428.3888 2.836914 428.8709 8.845238 429.3531 14.07551 429.8352 14.89678 430.3173 10.09279 430.7994 7.063980 431.2815 6.440865 431.7636 6.963890 432.2458 6.458855 432.7279 4.826729 433.2100 3.762695 433.6921 4.011528 434.1742 5.285522 434.6563 6.691177 435.1385 8.260521 435.6206 9.485779 436.1027 10.09420 436.5848 10.02881 437.0669 8.933243 437.5490 6.377495 438.0312 3.676682 438.5133 1.982841 438.9954 1.304688 439.4775 1.650833 439.9596 4.779419 440.4417 7.800674 440.9239 7.530312 441.4060 3.781586 441.8881 0.1697920 442.3702 1.693977 442.8523 2.150398 443.3344 1.473419 443.8166 2.566299 444.2987 5.054169 444.7808 2.641541 445.2629 2.743141 445.7450 5.432915 446.2271 1.127853 446.7093 3.373657 447.1914 5.245377 447.6735 3.234581 448.1556 2.465065 448.6377 4.071877 449.1198 6.163849 449.6020 6.778664 450.0841 5.282104 450.5662 3.697876 451.0483 2.232567 451.5304 0.9291840 452.0125 0.3320770 452.4947 1.796211 452.9768 2.522984 453.4589 1.646049 453.9410 0.8955990 454.4231 2.690979 454.9052 3.615372 455.3874 4.071617 455.8695 4.460144 456.3516 4.804527 456.8337 5.359924 457.3158 6.451538 457.7979 7.565964 458.2801 7.938744 458.7622 7.474228 459.2443 6.044464 459.7264 2.020317 460.2085 2.169907 460.6906 2.612072 461.1728 2.046379 461.6549 6.651222 462.1370 7.019096 462.6191 5.041069 463.1012 3.468834 463.5833 3.431526 464.0655 3.910610 464.5476 4.872284 465.0297 6.172710 465.5118 6.800175 465.9939 6.582623 466.4760 5.530979 466.9582 3.540932 467.4403 2.216637 467.9224 4.448017 468.4045 0.2306710 468.8866 7.405972 469.3687 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