#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:27:00 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1100 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100045.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_8100045 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 R060017 _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 R060017.rod _rod_data_source.block 3500000 _rod_database.code 8100045 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 113.3126 0.0000000E+00 113.7947 7.026733 114.2769 20.96106 114.7590 39.13013 115.2411 59.00842 115.7232 78.68787 116.2053 98.45251 116.6874 119.3682 117.1696 136.8723 117.6517 149.1357 118.1338 157.4030 118.6159 161.8123 119.0980 164.9196 119.5801 174.8807 120.0623 179.9093 120.5444 169.6519 121.0265 150.4227 121.5086 125.1003 121.9907 98.65186 122.4728 72.42444 122.9550 48.02600 123.4371 28.57324 123.9192 15.96313 124.4013 7.838745 124.8834 0.4249270 125.3655 6.458740 125.8476 10.84082 126.3298 11.11145 126.8119 7.158569 127.2940 0.3927000 127.7761 10.05505 128.2582 22.72461 128.7404 37.33948 129.2225 53.85181 129.7046 71.55725 130.1867 89.51135 130.6688 108.2472 131.1509 126.1630 131.6331 143.5240 132.1152 160.0364 132.5973 175.3555 133.0794 189.3260 133.5615 202.3754 134.0436 215.7985 134.5258 229.0717 135.0079 243.0292 135.4900 257.6014 135.9721 272.8545 136.4542 288.8715 136.9363 305.6598 137.4185 323.3025 137.9006 342.5254 138.3827 363.0760 138.8648 385.0665 139.3469 408.9816 139.8290 434.5887 140.3112 460.8810 140.7933 486.8193 141.2754 512.7749 141.7575 540.6550 142.2396 572.4491 142.7217 605.3445 143.2039 635.8322 143.6860 663.3235 144.1681 690.4301 144.6502 719.6084 145.1323 749.9967 145.6144 779.9409 146.0966 809.8033 146.5787 838.7288 147.0608 864.2205 147.5429 885.8005 148.0250 903.6677 148.5071 918.6145 148.9893 930.7119 149.4714 940.4078 149.9535 948.4193 150.4356 954.9910 150.9177 956.3705 151.3998 950.4390 151.8820 940.4895 152.3641 927.9412 152.8462 912.7903 153.3283 894.1603 153.8104 871.0603 154.2925 842.1757 154.7747 811.8925 155.2568 778.5238 155.7389 743.1252 156.2210 706.3849 156.7031 669.2714 157.1852 632.5151 157.6673 597.3049 158.1495 563.7073 158.6316 533.2095 159.1137 505.3339 159.5958 480.6837 160.0779 460.0632 160.5600 443.5868 161.0422 430.4395 161.5243 419.2375 162.0064 409.6288 162.4885 402.2838 162.9706 397.3331 163.4527 394.7722 163.9349 394.7611 164.4170 397.6420 164.8991 402.8734 165.3812 409.1376 165.8633 416.3128 166.3454 424.5458 166.8276 433.8907 167.3097 444.3462 167.7918 456.1581 168.2739 470.3694 168.7560 485.3713 169.2381 499.2264 169.7203 511.5887 170.2024 523.2618 170.6845 535.2594 171.1666 550.0038 171.6487 563.8835 172.1308 577.6205 172.6130 589.5947 173.0951 598.1833 173.5772 602.7950 174.0593 604.4057 174.5414 604.8651 175.0235 605.1599 175.5057 601.8428 175.9878 594.3724 176.4699 583.6813 176.9520 570.2518 177.4341 554.2550 177.9162 535.9852 178.3984 516.0193 178.8805 493.6163 179.3626 470.2957 179.8447 446.0667 180.3268 420.9454 180.8089 394.6068 181.2911 366.9167 181.7732 338.1798 182.2553 309.6000 182.7374 279.7230 183.2195 251.0970 183.7016 224.5353 184.1838 200.0138 184.6659 177.3937 185.1480 156.6020 185.6301 137.3494 186.1122 118.7621 186.5943 99.50397 187.0765 82.09717 187.5586 67.79382 188.0407 56.28088 188.5228 46.39618 189.0049 37.67847 189.4870 30.03790 189.9692 22.10297 190.4513 12.60004 190.9334 3.837891 191.4155 2.652832 191.8976 6.879822 192.3797 9.896301 192.8619 11.95117 193.3440 13.23468 193.8261 14.37122 194.3082 15.50409 194.7903 16.39935 195.2724 16.97235 195.7546 17.31403 196.2367 16.69299 196.7188 13.91217 197.2009 9.957092 197.6830 5.987915 198.1651 2.295593 198.6473 1.181091 199.1294 4.314148 199.6115 6.634338 200.0936 9.888245 200.5757 14.96930 201.0578 21.31262 201.5400 28.40131 202.0221 36.19147 202.5042 44.41644 202.9863 52.29736 203.4684 59.39520 203.9505 66.85431 204.4327 75.42902 204.9148 84.44446 205.3969 92.84119 205.8790 99.82257 206.3611 105.8761 206.8432 113.6368 207.3254 124.8719 207.8075 135.8585 208.2896 145.8663 208.7717 155.0750 209.2538 163.8591 209.7359 172.4250 210.2181 180.7490 210.7002 188.5262 211.1823 195.1346 211.6644 201.8248 212.1465 208.7696 212.6286 215.9653 213.1108 223.5826 213.5929 231.8961 214.0750 240.7429 214.5571 247.3691 215.0392 250.0157 215.5213 252.5623 216.0035 256.2439 216.4856 260.6764 216.9677 264.8408 217.4498 268.0089 217.9319 270.2605 218.4140 272.8914 218.8962 276.0049 219.3783 279.3171 219.8604 282.8396 220.3425 286.4832 220.8246 289.9803 221.3067 293.0683 221.7889 295.9055 222.2710 299.4268 222.7531 304.5047 223.2352 309.3202 223.7173 312.8781 224.1994 315.3286 224.6816 317.4815 225.1637 319.8727 225.6458 322.2827 226.1279 324.0423 226.6100 325.4373 227.0921 325.9373 227.5743 325.2393 228.0564 323.3620 228.5385 320.2121 229.0206 315.1881 229.5027 309.0020 229.9848 303.5036 230.4670 298.9765 230.9491 294.8557 231.4312 290.5353 231.9133 285.9919 232.3954 282.0189 232.8775 279.6026 233.3597 277.7263 233.8418 275.0338 234.3239 271.0553 234.8060 266.7103 235.2881 262.8720 235.7702 259.5689 236.2524 256.5380 236.7345 253.7753 237.2166 251.2367 237.6987 248.9623 238.1808 246.9722 238.6629 245.2112 239.1451 243.5450 239.6272 241.8783 240.1093 240.7638 240.5914 241.5293 241.0735 242.3063 241.5556 241.6907 242.0378 239.3112 242.5199 236.0076 243.0020 232.8600 243.4841 230.1173 243.9662 226.7149 244.4483 221.7589 244.9305 216.5172 245.4126 211.9543 245.8947 208.2389 246.3768 204.4343 246.8589 199.1579 247.3410 191.9354 247.8232 184.6346 248.3053 176.8262 248.7874 169.1291 249.2695 162.2200 249.7516 156.2032 250.2337 150.1940 250.7159 142.8724 251.1980 133.6932 251.6801 124.8696 252.1622 116.3177 252.6443 108.1766 253.1264 100.6761 253.6086 93.76636 254.0907 87.09637 254.5728 80.26602 255.0549 72.98041 255.5370 66.69547 256.0191 62.10144 256.5013 57.74704 256.9834 52.63565 257.4655 46.76346 257.9476 40.98355 258.4297 36.22903 258.9118 32.60602 259.3940 29.57831 259.8761 27.52280 260.3582 25.59940 260.8403 23.28851 261.3224 20.65659 261.8045 18.12656 262.2867 16.04703 262.7688 14.41760 263.2509 13.28421 263.7330 13.21680 264.2151 13.02042 264.6972 12.09598 265.1794 10.53891 265.6615 8.718719 266.1436 6.893219 266.6257 5.030121 267.1078 3.729919 267.5899 3.421967 268.0721 3.103455 268.5542 2.077209 269.0363 0.5943910 269.5184 0.4771120 270.0005 0.4379270 270.4826 0.6004640 270.9648 1.032013 271.4469 0.3358150 271.9290 0.2838130 272.4111 0.2022400 272.8932 0.3211670 273.3753 0.5625920 273.8575 3.7108999E-02 274.3396 1.034821 274.8217 1.485809 275.3038 0.8280940 275.7859 0.2565610 276.2680 0.2969210 276.7502 0.6816860 277.2323 0.8047490 277.7144 0.3180080 278.1965 0.4870300 278.6786 0.6454930 279.1607 0.4241640 279.6429 0.9730380 280.1250 0.1555630 280.6071 1.451767 281.0892 2.843658 281.5713 3.668304 282.0534 4.089813 282.5356 4.347977 283.0177 4.376617 283.4998 4.494751 283.9819 4.780396 284.4640 5.206161 284.9461 5.776596 285.4283 6.518753 285.9104 7.278839 286.3925 7.864670 286.8746 8.299759 287.3567 8.489090 287.8388 8.073227 288.3210 7.528366 288.8031 7.529694 289.2852 8.219009 289.7673 9.166946 290.2494 9.907166 290.7315 10.45769 291.2137 11.21156 291.6958 12.51631 292.1779 13.90085 292.6600 14.76791 293.1421 15.04956 293.6242 15.30678 294.1064 16.10851 294.5885 17.30891 295.0706 18.12419 295.5527 17.87233 296.0348 17.62253 296.5169 18.66180 296.9991 20.93901 297.4812 22.70416 297.9633 22.52997 298.4454 21.06142 298.9275 20.46028 299.4096 21.26978 299.8918 22.41840 300.3739 23.18950 300.8560 23.63341 301.3381 24.11172 301.8202 24.84311 302.3023 25.65802 302.7845 26.27635 303.2666 26.78828 303.7487 26.91829 304.2308 26.07100 304.7129 24.61877 305.1950 23.97289 305.6772 24.87816 306.1593 26.37767 306.6414 26.98349 307.1235 26.60558 307.6056 26.41765 308.0877 27.16476 308.5699 28.45518 309.0520 29.33452 309.5341 29.49051 310.0162 29.41592 310.4983 29.69208 310.9804 30.26009 311.4626 30.75150 311.9447 30.94832 312.4268 31.02992 312.9089 31.28741 313.3910 31.77827 313.8731 32.33452 314.3553 32.76518 314.8374 33.10703 315.3195 33.53943 315.8016 34.19406 316.2837 34.92413 316.7658 35.56711 317.2480 36.12860 317.7301 36.69226 318.2122 37.24091 318.6943 37.83099 319.1764 38.62003 319.6585 39.86215 320.1407 41.02763 320.6228 41.59967 321.1049 41.65927 321.5870 41.82309 322.0691 42.45273 322.5512 43.20297 323.0334 43.40869 323.5155 42.87137 323.9976 42.59740 324.4797 43.28346 324.9618 44.59723 325.4439 45.64629 325.9261 46.16673 326.4082 46.41527 326.8903 46.67271 327.3724 46.92157 327.8545 47.24808 328.3366 47.89813 328.8188 48.64667 329.3009 48.97885 329.7830 48.69856 330.2651 48.23184 330.7472 48.10278 331.2293 48.24390 331.7115 48.14040 332.1936 47.34883 332.6757 46.46629 333.1578 46.40947 333.6399 47.21095 334.1220 47.50237 334.6042 46.09373 335.0863 43.45058 335.5684 41.52875 336.0505 40.76384 336.5326 40.33934 337.0147 39.92297 337.4969 39.45671 337.9790 38.63516 338.4611 37.18333 338.9432 35.41248 339.4253 34.01576 339.9074 33.10751 340.3896 32.22597 340.8717 31.19281 341.3538 30.06053 341.8359 28.95282 342.3180 27.91815 342.8001 26.84471 343.2823 25.39725 343.7644 23.46947 344.2465 22.16571 344.7286 22.23473 345.2107 22.75302 345.6928 22.73174 346.1750 22.03104 346.6571 20.96669 347.1392 19.76982 347.6213 18.42758 348.1034 17.09113 348.5855 15.44312 349.0677 14.05814 349.5498 13.47627 350.0319 13.55896 350.5140 13.63272 350.9961 13.29718 351.4782 12.63130 351.9604 12.02615 352.4425 11.35959 352.9246 10.88293 353.4067 10.81517 353.8888 10.96214 354.3709 10.99257 354.8531 10.78455 355.3352 10.40239 355.8173 9.931610 356.2994 9.224503 356.7815 8.758667 357.2636 8.817474 357.7458 9.012909 358.2279 8.914154 358.7100 8.465469 359.1921 7.992844 359.6742 7.885864 360.1563 8.247177 360.6385 8.334869 361.1206 8.086075 361.6027 7.652313 362.0848 6.952347 362.5669 6.105560 363.0490 5.458755 363.5312 5.299637 364.0133 5.533554 364.4954 5.358978 364.9775 4.368088 365.4596 3.471176 365.9417 2.746246 366.4239 2.259384 366.9060 2.169510 367.3881 2.534454 367.8702 3.097153 368.3523 3.336044 368.8344 3.106277 369.3166 2.750687 369.7987 2.263168 370.2808 1.662308 370.7629 0.8319850 371.2450 0.1654360 371.7271 1.012802 372.2093 1.325974 372.6914 1.001999 373.1735 0.8289030 373.6556 0.8242030 374.1377 0.9423980 374.6198 1.279556 375.1020 1.724838 375.5841 2.052475 376.0662 2.105942 376.5483 1.951782 377.0304 1.906693 377.5125 2.087387 377.9947 2.210388 378.4768 2.284790 378.9589 2.258713 379.4410 1.975220 379.9231 1.403564 380.4052 0.8703000 380.8874 1.002548 381.3695 2.152664 381.8516 2.802917 382.3337 2.435425 382.8158 1.876450 383.2979 1.493057 383.7801 1.309860 384.2622 1.187912 384.7443 0.9624180 385.2264 0.6619570 385.7085 0.7137450 386.1906 1.638504 386.6728 2.138779 387.1549 1.476501 387.6370 0.1714940 388.1191 0.9969940 388.6012 1.693115 389.0833 2.108368 389.5655 2.592072 390.0476 3.189575 390.5297 3.645172 391.0118 3.702377 391.4939 3.687210 391.9760 3.836105 392.4582 4.181030 392.9403 4.674057 393.4224 5.327682 393.9045 6.115891 394.3866 6.872879 394.8687 7.541885 395.3509 8.233688 395.8330 9.066925 396.3151 10.00055 396.7972 10.90315 397.2793 11.60362 397.7614 12.30046 398.2436 13.47008 398.7257 15.17380 399.2078 16.45567 399.6899 16.54243 400.1720 15.90352 400.6541 15.58829 401.1363 15.64374 401.6184 16.01688 402.1005 16.88922 402.5826 18.07050 403.0647 19.00093 403.5468 19.46072 404.0290 19.74431 404.5111 20.26239 404.9932 21.01669 405.4753 21.83929 405.9574 22.70242 406.4395 23.61287 406.9217 24.66063 407.4038 25.82672 407.8859 26.84471 408.3680 27.50406 408.8501 27.81226 409.3322 27.97421 409.8144 27.61786 410.2965 27.54546 410.7786 28.33253 411.2607 29.54570 411.7428 30.32182 412.2249 30.28271 412.7071 29.97701 413.1892 30.51433 413.6713 32.71643 414.1534 34.30183 414.6355 34.90683 415.1176 35.19695 415.5998 35.45280 416.0819 35.81548 416.5640 36.54767 417.0461 37.97932 417.5282 40.12799 418.0103 41.64531 418.4925 41.86562 418.9746 42.13553 419.4567 42.98837 419.9388 43.99557 420.4209 44.35782 420.9030 43.69560 421.3852 42.79468 421.8673 43.47046 422.3494 46.68839 422.8315 48.99663 423.3136 49.16589 423.7957 49.09470 424.2779 50.03632 424.7600 51.96814 425.2421 53.95197 425.7242 55.18710 426.2063 55.75188 426.6884 56.32164 427.1706 56.88234 427.6527 57.40636 428.1348 57.98921 428.6169 58.52420 429.0990 58.80788 429.5811 58.72845 430.0633 58.48950 430.5454 58.19592 431.0275 57.83093 431.5096 58.05791 431.9917 59.51089 432.4738 61.10907 432.9560 61.92963 433.4381 62.00380 433.9202 61.35799 434.4023 59.48158 434.8844 57.03249 435.3665 55.20778 435.8487 54.15515 436.3308 53.46320 436.8129 52.94351 437.2950 52.53966 437.7771 52.06895 438.2592 51.63367 438.7414 51.00102 439.2235 50.04367 439.7056 48.78491 440.1877 47.19965 440.6698 45.22589 441.1519 43.10379 441.6341 41.15817 442.1162 39.33002 442.5983 37.87611 443.0804 37.15698 443.5625 36.55107 444.0446 35.60718 444.5268 34.32750 445.0089 32.88116 445.4910 31.34062 445.9731 29.72784 446.4552 28.37111 446.9373 27.39107 447.4195 26.44179 447.9016 25.43684 448.3837 24.48517 448.8658 23.75743 449.3479 23.27629 449.8300 22.82184 450.3122 22.01913 450.7943 20.65982 451.2764 19.72844 451.7585 20.00827 452.2406 19.99091 452.7227 18.75494 453.2049 16.77393 453.6870 15.17451 454.1691 14.65253 454.6512 14.81169 455.1333 14.68657 455.6154 14.23207 456.0976 13.61273 456.5797 12.83147 457.0618 11.93727 457.5439 10.78810 458.0260 9.380478 458.5081 8.304962 458.9903 8.247574 459.4724 8.929031 459.9545 9.320663 460.4366 9.268631 460.9187 9.015961 461.4008 8.719666 461.8830 8.372009 462.3651 7.915726 462.8472 7.166824 463.3293 6.466507 463.8114 6.106140 464.2935 6.028671 464.7756 6.022171 465.2578 6.021805 465.7399 5.991638 466.2220 5.868546 466.7041 5.629883 467.1862 5.407333 467.6683 5.290863 468.1505 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