#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:26:01 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1085 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100041.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_8100041 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 R050174 _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 R050174.rod _rod_data_source.block 3500000 _rod_database.code 8100041 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 145.5165 0.0000000E+00 145.9986 17.55908 146.4807 61.33936 146.9629 120.0659 147.4450 178.0981 147.9271 231.6333 148.4092 281.8188 148.8913 332.5396 149.3734 389.4106 149.8556 454.5591 150.3377 513.7163 150.8198 550.9580 151.3019 580.7402 151.7840 613.4990 152.2661 646.9497 152.7483 675.9824 153.2304 699.0000 153.7125 719.8076 154.1946 747.7734 154.6767 767.1519 155.1588 742.7739 155.6410 684.0444 156.1231 604.1519 156.6052 517.8652 157.0873 436.6304 157.5694 361.1045 158.0515 287.2881 158.5337 214.5649 159.0158 148.4800 159.4979 94.10107 159.9800 51.80273 160.4621 18.34912 160.9442 6.308105 161.4264 23.71582 161.9085 36.82520 162.3906 48.50146 162.8727 55.65576 163.3548 52.75391 163.8369 37.89014 164.3191 16.40527 164.8012 7.945313 165.2833 35.33838 165.7654 66.75098 166.2475 104.3130 166.7296 146.9058 167.2118 188.7515 167.6939 226.5254 168.1760 267.6611 168.6581 316.5205 169.1402 371.2466 169.6223 427.4209 170.1045 480.1870 170.5866 528.8013 171.0687 582.5601 171.5508 649.1064 172.0329 714.5103 172.5150 775.6460 172.9972 831.3574 173.4793 881.1445 173.9614 924.2261 174.4435 959.7505 174.9256 991.0137 175.4077 1016.163 175.8899 1039.535 176.3720 1064.278 176.8541 1090.407 177.3362 1115.090 177.8183 1134.715 178.3004 1148.251 178.7826 1157.395 179.2647 1156.974 179.7468 1155.423 180.2289 1159.565 180.7110 1171.164 181.1931 1187.287 181.6752 1203.624 182.1574 1219.109 182.6395 1238.100 183.1216 1261.926 183.6037 1289.290 184.0858 1317.866 184.5679 1346.557 185.0501 1378.159 185.5322 1416.592 186.0143 1459.783 186.4964 1513.381 186.9785 1584.991 187.4606 1668.634 187.9428 1748.508 188.4249 1816.125 188.9070 1884.932 189.3891 1970.943 189.8712 2074.249 190.3533 2185.025 190.8355 2298.704 191.3176 2415.373 191.7997 2532.107 192.2818 2648.182 192.7639 2765.520 193.2460 2885.136 193.7282 3007.513 194.2103 3132.771 194.6924 3260.998 195.1745 3393.199 195.6566 3527.474 196.1387 3661.891 196.6209 3799.771 197.1030 3945.099 197.5851 4098.548 198.0672 4253.152 198.5493 4399.902 199.0314 4536.143 199.5136 4673.018 199.9957 4809.872 200.4778 4949.072 200.9599 5092.124 201.4420 5239.805 201.9241 5391.729 202.4063 5549.425 202.8884 5720.659 203.3705 5889.075 203.8526 6042.341 204.3347 6192.141 204.8168 6349.057 205.2990 6515.236 205.7811 6685.410 206.2632 6849.484 206.7453 7001.404 207.2274 7154.125 207.7095 7316.282 208.1917 7475.432 208.6738 7619.284 209.1559 7743.741 209.6380 7853.862 210.1201 7959.978 210.6022 8075.357 211.0844 8164.542 211.5665 8223.133 212.0486 8255.373 212.5307 8266.297 213.0128 8257.955 213.4949 8229.058 213.9771 8173.940 214.4592 8095.387 214.9413 7990.618 215.4234 7853.864 215.9055 7691.760 216.3876 7511.722 216.8698 7314.851 217.3519 7105.038 217.8340 6884.050 218.3161 6652.644 218.7982 6416.157 219.2803 6173.042 219.7625 5926.881 220.2446 5682.792 220.7267 5440.655 221.2088 5205.832 221.6909 4983.367 222.1730 4772.363 222.6552 4573.382 223.1373 4386.320 223.6194 4210.848 224.1015 4043.219 224.5836 3882.638 225.0657 3730.845 225.5479 3589.854 226.0300 3459.331 226.5121 3332.042 226.9942 3201.078 227.4763 3068.718 227.9584 2942.963 228.4406 2827.245 228.9227 2717.968 229.4048 2610.227 229.8869 2503.741 230.3690 2403.345 230.8511 2314.681 231.3333 2237.912 231.8154 2162.376 232.2975 2085.176 232.7796 2010.750 233.2617 1940.880 233.7438 1875.725 234.2260 1815.166 234.7081 1760.598 235.1902 1712.483 235.6723 1663.470 236.1544 1608.372 236.6365 1555.923 237.1187 1511.818 237.6008 1474.911 238.0829 1439.763 238.5650 1400.587 239.0471 1356.294 239.5292 1316.010 240.0114 1280.210 240.4935 1248.312 240.9756 1222.970 241.4577 1202.067 241.9398 1179.852 242.4219 1149.941 242.9041 1111.180 243.3862 1074.955 243.8683 1044.951 244.3504 1014.328 244.8325 979.6443 245.3146 942.0657 245.7968 904.9722 246.2789 871.7751 246.7610 842.5693 247.2431 814.9526 247.7252 790.6128 248.2073 765.9797 248.6895 739.9021 249.1716 712.3499 249.6537 684.5107 250.1358 657.4988 250.6179 631.4409 251.1000 602.5569 251.5822 566.8201 252.0643 532.3572 252.5464 501.8821 253.0285 475.0430 253.5106 450.6833 253.9927 427.7849 254.4748 406.4692 254.9570 385.6904 255.4391 365.8418 255.9212 345.9043 256.4033 324.6938 256.8854 303.0869 257.3676 283.0559 257.8497 266.1084 258.3318 251.9797 258.8139 236.5217 259.2960 217.4951 259.7781 199.9241 260.2603 185.9434 260.7424 174.6924 261.2245 164.0280 261.7066 153.0643 262.1887 141.6471 262.6708 129.0470 263.1530 111.8485 263.6351 97.30811 264.1172 89.39465 264.5993 85.76892 265.0814 81.00293 265.5635 72.26465 266.0457 60.97925 266.5278 52.00781 267.0099 45.99609 267.4920 40.40564 267.9741 34.09143 268.4562 27.65479 268.9384 22.50403 269.4204 19.44934 269.9026 17.59155 270.3847 15.05469 270.8668 11.93677 271.3489 8.265503 271.8310 3.405762 272.3131 1.807007 272.7953 5.723755 273.2774 7.564941 273.7595 8.564697 274.2416 11.03381 274.7237 15.15686 275.2058 18.69861 275.6880 20.56030 276.1701 21.56458 276.6522 23.29736 277.1343 26.54187 277.6164 29.55823 278.0985 29.70923 278.5807 27.27649 279.0628 25.16016 279.5449 24.58264 280.0270 24.68762 280.5091 24.19788 280.9912 22.80566 281.4734 21.24646 281.9555 20.68311 282.4376 20.79797 282.9197 19.64929 283.4018 15.31177 283.8839 10.04736 284.3661 7.015137 284.8482 6.610596 285.3303 7.093506 285.8124 7.989624 286.2945 8.758545 286.7766 7.853271 287.2588 2.621216 287.7409 3.176392 288.2230 4.773926 288.7051 1.860596 289.1872 1.575073 289.6693 4.047485 290.1515 5.167114 290.6336 3.786011 291.1157 1.543457 291.5978 7.768677 292.0799 11.78906 292.5620 13.57336 293.0442 15.37830 293.5263 18.46240 294.0084 22.01355 294.4905 24.91028 294.9726 26.95215 295.4547 28.61621 295.9369 30.12061 296.4190 31.49683 296.9011 33.10193 297.3832 34.68335 297.8653 37.03491 298.3474 41.02759 298.8296 46.82971 299.3117 52.95569 299.7938 58.91687 300.2759 64.53125 300.7580 68.71533 301.2401 70.63635 301.7223 71.84399 302.2044 74.10510 302.6865 77.21826 303.1686 79.64661 303.6507 79.62280 304.1328 78.14526 304.6150 78.48706 305.0971 81.22205 305.5792 85.39246 306.0613 91.09119 306.5434 97.68616 307.0255 103.4579 307.5077 108.0151 307.9898 111.1473 308.4719 112.0463 308.9540 110.0792 309.4361 107.8608 309.9182 105.7172 310.4004 104.6121 310.8825 106.5457 311.3646 113.7103 311.8467 122.7029 312.3288 128.9033 312.8109 132.0605 313.2931 133.9668 313.7752 133.3009 314.2573 132.7301 314.7394 136.1069 315.2215 145.5250 315.7036 155.1974 316.1858 158.8780 316.6679 156.6206 317.1500 154.3086 317.6321 153.2979 318.1142 153.4880 318.5963 154.6628 319.0785 156.8353 319.5606 159.7468 320.0427 163.6212 320.5248 168.2628 321.0069 172.5595 321.4890 176.6051 321.9712 179.7584 322.4533 180.9706 322.9354 180.6066 323.4175 181.0818 323.8996 184.9911 324.3817 190.5048 324.8639 192.5539 325.3460 189.6714 325.8281 185.9805 326.3102 184.3463 326.7923 184.2484 327.2744 184.7123 327.7566 185.0146 328.2387 185.8717 328.7208 189.2413 329.2029 195.8124 329.6850 200.9062 330.1671 200.8596 330.6493 197.6996 331.1314 194.3324 331.6135 191.1705 332.0956 188.1034 332.5777 184.7303 333.0598 181.1323 333.5420 178.6790 334.0241 179.3411 334.5062 180.2502 334.9883 177.4147 335.4704 170.2220 335.9525 162.3386 336.4347 156.0189 336.9168 150.9683 337.3989 146.1412 337.8810 141.1523 338.3631 136.5670 338.8452 132.7670 339.3274 129.7566 339.8094 127.6963 340.2916 128.1550 340.7737 129.2644 341.2558 127.2264 341.7379 121.0190 342.2200 114.5761 342.7021 111.2508 343.1843 110.1876 343.6664 109.1147 344.1485 107.9351 344.6306 106.4603 345.1127 104.5691 345.5948 102.2670 346.0770 99.79016 346.5591 97.30536 347.0412 94.50977 347.5233 90.90845 348.0054 85.66187 348.4875 81.27423 348.9697 79.40802 349.4518 79.65521 349.9339 81.22266 350.4160 84.43042 350.8981 87.91400 351.3802 89.41248 351.8624 89.02393 352.3445 87.29126 352.8266 83.51801 353.3087 78.74091 353.7908 74.36810 354.2729 70.64355 354.7551 67.67242 355.2372 65.67480 355.7193 64.68134 356.2014 64.08527 356.6835 63.75830 357.1656 63.89069 357.6478 65.47076 358.1299 68.18225 358.6120 69.23816 359.0941 66.14886 359.5762 59.68201 360.0583 55.35309 360.5405 54.34161 361.0226 53.91229 361.5047 52.96442 361.9868 51.73517 362.4689 51.06464 362.9510 51.54004 363.4332 52.10742 363.9153 49.99200 364.3974 42.85663 364.8795 37.73547 365.3616 37.00061 365.8438 37.99683 366.3259 37.66046 366.8080 35.34479 367.2901 32.95502 367.7722 33.10968 368.2543 37.11938 368.7365 37.76208 369.2186 32.53229 369.7007 26.44708 370.1828 22.16742 370.6649 19.65289 371.1470 17.74280 371.6292 15.62531 372.1113 13.33087 372.5934 11.22223 373.0755 9.624695 373.5576 7.896362 374.0397 5.359802 374.5219 2.720764 375.0040 1.052795 375.4861 0.8064580 375.9682 1.580444 376.4503 2.602356 376.9324 5.219666 377.4146 5.791504 377.8967 2.314758 378.3788 1.610901 378.8609 3.115540 379.3430 1.992554 379.8251 0.2985230 380.3073 0.4618530 380.7894 3.000793 381.2715 3.746460 381.7536 9.3750000E-02 382.2357 2.779968 382.7178 2.648193 383.2000 0.4150390 383.6821 2.002441 384.1642 3.500854 384.6463 4.130554 385.1284 4.063721 385.6105 2.992249 386.0927 1.672241 386.5748 5.0170999E-02 387.0569 1.641663 387.5390 3.260742 388.0211 4.737305 388.5032 5.864136 388.9854 6.244751 389.4675 5.716736 389.9496 5.381714 390.4317 5.524841 390.9138 5.770935 391.3959 5.596252 391.8781 5.276001 392.3602 5.779663 392.8423 8.160889 393.3244 12.01965 393.8065 15.63098 394.2886 19.33667 394.7708 22.19940 395.2529 23.90247 395.7350 24.52856 396.2171 23.88605 396.6992 21.43384 397.1813 18.79022 397.6635 18.00165 398.1456 19.20697 398.6277 21.00696 399.1098 23.19104 399.5919 25.52686 400.0740 28.08960 400.5562 31.03430 401.0383 33.12872 401.5204 33.19702 402.0025 31.95850 402.4846 31.11353 402.9667 30.85089 403.4489 31.36853 403.9310 33.53870 404.4131 36.77661 404.8952 38.92505 405.3773 39.07263 405.8594 38.32422 406.3416 37.57367 406.8237 36.92255 407.3058 36.58942 407.7879 36.70984 408.2700 37.23657 408.7521 38.05328 409.2343 39.25311 409.7164 40.37701 410.1985 41.57190 410.6806 42.53748 411.1627 42.67230 411.6448 41.83014 412.1269 40.71808 412.6090 40.32141 413.0912 40.98877 413.5733 40.21442 414.0554 36.12488 414.5375 32.31787 415.0196 30.59601 415.5017 30.95587 415.9839 33.24030 416.4660 37.71014 416.9481 43.35974 417.4302 45.41425 417.9123 38.67572 418.3944 34.70258 418.8766 36.60181 419.3587 40.65656 419.8408 43.13184 420.3229 43.02838 420.8050 41.76501 421.2871 41.13635 421.7693 41.17194 422.2514 41.70142 422.7335 42.91650 423.2156 44.44324 423.6977 47.03375 424.1798 49.82294 424.6620 50.78259 425.1441 48.23859 425.6262 43.41797 426.1083 41.07953 426.5904 42.41949 427.0725 43.94763 427.5547 45.31207 428.0368 46.22998 428.5189 46.12982 429.0010 44.93744 429.4831 43.81268 429.9652 44.30237 430.4474 46.40881 430.9295 47.83179 431.4116 48.13055 431.8937 47.93890 432.3758 47.49237 432.8579 46.91888 433.3401 46.62689 433.8222 47.52289 434.3043 48.33954 434.7864 46.32196 435.2685 41.06888 435.7506 37.22580 436.2328 38.13919 436.7149 40.89764 437.1970 40.47144 437.6791 35.60849 438.1612 31.53470 438.6433 32.18387 439.1255 35.35532 439.6076 36.39587 440.0897 34.11731 440.5718 30.93256 441.0539 29.24570 441.5360 29.02878 442.0182 28.62436 442.5003 28.72626 442.9824 28.00702 443.4645 24.44830 443.9466 19.23065 444.4287 16.26950 444.9109 17.80719 445.3930 21.78839 445.8751 22.72778 446.3572 18.01630 446.8393 14.25546 447.3214 12.38293 447.8036 11.01120 448.2857 9.090790 448.7678 6.508728 449.2499 3.563477 449.7320 0.3367610 450.2141 3.252258 450.6963 4.702942 451.1784 1.992828 451.6605 0.3692930 452.1426 1.664001 452.6247 1.991730 453.1068 1.183990 453.5890 0.8791500 454.0711 3.175812 454.5532 3.394012 455.0353 0.4515380 455.5174 1.137970 455.9995 1.383331 456.4817 3.800903 456.9638 3.132721 457.4459 5.6945998E-02 457.9280 2.533447 458.4101 1.102661 458.8922 2.825073 459.3744 3.943054 459.8565 1.330597 460.3386 1.525909 460.8207 3.663940 461.3028 4.761383 461.7849 3.770477 462.2671 0.2340700 462.7492 3.248444 463.2313 1.067261 463.7134 4.405304 464.1955 7.162750 464.6776 5.656464 465.1598 2.800751 465.6419 0.7333680 466.1240 0.6249080 466.6061 1.126953 467.0882 0.1781010 467.5703 1.234344 468.0525 2.491516 468.5346 3.666931 469.0167 5.157196 469.4988 7.253845 469.9809 9.261139 470.4630 9.526581 470.9452 6.523407 471.4273 4.497559 471.9094 3.890289 472.3915 4.145844 472.8736 5.029205 473.3557 6.407745 473.8379 8.050415 474.3200 9.823517 474.8021 11.76080 475.2842 13.48465 475.7663 15.78214 476.2484 16.83475 476.7306 15.17322 477.2127 12.68259 477.6948 11.38068 478.1769 11.85922 478.6590 13.18100 479.1411 14.32419 479.6233 15.30521 480.1054 15.93918 480.5875 16.38678 481.0696 16.27426 481.5517 14.82629 482.0338 12.72418 482.5159 11.50476 482.9980 12.26810 483.4802 13.59186 483.9623 13.13306 484.4444 10.90530 484.9265 9.631683 485.4086 10.68225 485.8907 12.59824 486.3729 13.60550 486.8550 13.72015 487.3371 12.95721 487.8192 10.18793 488.3013 7.171936 488.7834 6.330139 489.2656 7.671722 489.7477 8.992401 490.2298 8.753174 490.7119 7.409119 491.1940 7.265686 491.6761 9.661682 492.1583 11.23227 492.6404 10.95309 493.1225 9.736725 493.6046 8.554779 494.0867 7.716339 494.5688 6.735229 495.0510 4.956665 495.5331 2.280060 496.0152 1.169495 496.4973 3.847382 496.9794 5.711761 497.4615 4.781219 497.9437 2.670135 498.4258 1.722412 498.9079 2.820831 499.3900 4.603546 499.8721 5.054321 500.3542 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0.8235470 526.8707 2.522125 527.3528 5.379883 527.8349 8.905426 528.3170 13.42148 528.7991 14.70297 529.2813 10.16528 529.7634 5.442322 530.2455 1.968048 530.7276 0.1196900 531.2097 0.8580320 531.6918 4.477264 532.1740 8.850952 532.6561 10.17734 533.1382 6.959412 533.6203 5.831238 534.1024 9.594482 534.5845 12.78381 535.0667 12.90695 535.5488 11.03644 536.0309 9.507751 536.5130 9.502197 536.9951 9.922119 537.4772 8.776855 537.9594 6.016449 538.4415 4.333008 538.9236 4.742767 539.4057 5.813202 539.8878 5.878571 540.3699 5.286591 540.8521 5.989014 541.3342 10.40338 541.8163 14.30341 542.2984 13.26187 542.7805 8.586670 543.2626 5.459717 543.7448 6.174316 544.2269 8.782471 544.7090 9.970886 545.1911 8.976349 545.6732 8.437500 546.1553 8.454987 546.6375 8.641510 547.1196 9.192169 547.6017 9.944763 548.0838 9.994232 548.5659 8.584290 549.0480 6.813446 549.5302 7.603912 550.0123 12.90216 550.4944 15.00766 550.9765 8.574493 551.4586 2.546112 551.9407 2.332489 552.4229 6.456390 552.9050 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