#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:44:55 +0300 (Thu, 26 Apr 2018) $ #$Revision: 555 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000101.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_1000101 loop_ _publ_author_name 'Kolitsch, U.' 'Giester, G.' _publ_section_title ; Elyite, Pb4Cu(SO4)O2(OH)4.H2O: Crystal structure and new data ; _journal_name_full 'American Mineralogist' _journal_page_first 1816 _journal_page_last 1821 _journal_volume 85 _journal_year 2000 _chemical_compound_source R090024 _chemical_formula_sum 'Cu H5 O11 Pb4 S' _chemical_name_mineral Elyite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 100.45 _cell_angle_gamma 90 _cell_length_a 14.233 _cell_length_b 11.532 _cell_length_c 14.611 _cell_volume 2358.399 _exptl_crystal_density_diffrn 6.227 _cod_original_formula_sum 'Pb4 Cu S O11 H5' _cod_database_code 9002509 _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 R090024.rod _rod_data_source.block 3500000 _rod_database.code 1000101 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 9002509 COD http://www.crystallography.net/cod/9002509.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 205.6744 0.0000000E+00 206.1565 0.9462590 206.6386 1.700211 207.1207 2.039780 207.6028 2.206467 208.0849 1.724319 208.5671 1.133804 209.0492 0.6561580 209.5313 1.121323 210.0134 2.380402 210.4955 3.095139 210.9776 1.868149 211.4598 2.1454001E-02 211.9419 0.2323300 212.4240 2.780136 212.9061 4.856506 213.3882 4.551819 213.8703 2.832687 214.3525 1.335587 214.8346 1.035110 215.3167 1.609070 215.7988 1.835648 216.2809 1.611481 216.7630 1.527283 217.2451 2.421051 217.7273 1.774811 218.2094 1.585403 218.6915 2.412384 219.1736 3.513107 219.6557 4.169754 220.1378 3.910172 220.6200 3.458069 221.1021 2.888138 221.5842 2.307693 222.0663 1.866776 222.5484 1.677048 223.0305 1.716568 223.5127 1.774811 223.9948 1.941498 224.4769 2.026093 224.9590 1.924789 225.4411 1.720856 225.9232 1.622177 226.4054 1.825851 226.8875 2.247360 227.3696 1.860733 227.8517 0.9036560 228.3338 2.842682 228.8159 2.674515 229.2981 1.223679 229.7802 4.0955000E-02 230.2623 0.1780400 230.7444 1.457840 231.2265 1.854523 231.7086 0.2864380 232.1908 0.9118500 232.6729 0.7920230 233.1550 0.1153410 233.6371 0.6856990 234.1192 0.1856230 234.6013 1.189636 235.0835 1.965469 235.5656 1.617218 236.0477 1.373169 236.5298 1.651810 237.0119 2.308533 237.4940 3.038193 237.9762 3.702042 238.4583 4.273666 238.9404 4.626678 239.4225 4.766983 239.9046 4.736298 240.3867 4.264679 240.8689 3.602341 241.3510 3.437210 241.8331 4.229553 242.3152 5.620010 242.7973 6.513474 243.2794 6.678864 243.7616 6.811188 244.2437 7.199127 244.7258 7.784927 245.2079 8.406830 245.6900 9.020493 246.1721 9.600601 246.6543 10.10304 247.1364 10.48880 247.6185 10.91014 248.1006 11.46483 248.5827 12.12334 249.0648 12.77989 249.5470 13.37497 250.0291 13.99286 250.5112 14.75388 250.9933 15.67450 251.4754 16.62480 251.9576 17.46736 252.4397 18.25801 252.9218 19.35400 253.4039 21.16113 253.8860 22.87668 254.3681 23.47105 254.8503 22.94994 255.3324 22.60004 255.8145 23.23430 256.2966 24.72514 256.7787 26.51407 257.2608 28.87833 257.7430 31.00850 258.2251 32.05444 258.7072 32.18408 259.1893 32.50848 259.6714 33.80202 260.1535 35.92114 260.6357 38.17261 261.1178 40.90436 261.5999 43.15359 262.0820 43.94389 262.5641 43.74667 263.0462 44.01096 263.5284 46.04723 264.0105 49.47874 264.4926 52.23619 264.9747 54.03748 265.4568 55.48026 265.9389 56.69168 266.4211 57.81355 266.9032 59.13016 267.3853 60.89345 267.8674 62.98537 268.3495 64.88712 268.8316 66.39752 269.3138 68.00848 269.7959 70.07481 270.2780 72.36130 270.7601 74.42809 271.2422 75.95767 271.7243 77.21329 272.2065 79.12079 272.6886 82.26053 273.1707 85.07544 273.6528 86.98730 274.1349 88.45352 274.6170 89.99347 275.0992 91.85896 275.5813 93.84317 276.0634 95.38823 276.5455 96.21280 277.0276 97.20514 277.5097 98.93968 277.9919 100.6710 278.4740 101.5919 278.9561 101.4249 279.4382 100.7445 279.9203 100.7023 280.4024 101.8542 280.8846 102.4530 281.3667 102.2272 281.8488 101.5502 282.3309 100.6606 282.8130 99.62759 283.2951 98.40765 283.7773 96.84625 284.2594 94.60245 284.7415 92.88962 285.2236 92.25462 285.7057 91.61481 286.1878 90.19202 286.6700 88.11963 287.1521 86.08838 287.6342 84.76346 288.1163 84.19257 288.5984 83.77467 289.0805 83.57053 289.5627 83.64095 290.0448 84.08258 290.5269 84.74451 291.0090 85.21701 291.4911 85.09335 291.9732 84.35808 292.4554 83.60628 292.9375 82.51907 293.4196 81.72194 293.9017 81.64526 294.3838 82.03081 294.8659 82.36655 295.3481 82.32217 295.8302 81.89003 296.3123 80.95351 296.7944 78.28337 297.2765 76.42529 297.7586 76.46426 298.2408 77.52170 298.7229 78.29988 299.2050 78.07794 299.6871 77.07851 300.1692 76.15671 300.6513 75.82236 301.1335 74.91621 301.6156 72.64795 302.0977 70.05658 302.5798 68.41406 303.0619 68.20807 303.5440 68.68484 304.0262 68.24542 304.5083 66.32428 304.9904 64.23450 305.4725 61.57054 305.9546 59.02005 306.4367 57.14677 306.9189 56.07719 307.4010 55.51715 307.8831 55.07866 308.3652 54.79803 308.8473 54.55466 309.3294 54.51195 309.8116 54.36852 310.2937 53.86966 310.7758 53.05063 311.2579 52.17255 311.7400 51.49901 312.2221 51.05119 312.7043 50.62369 313.1864 50.57210 313.6685 50.19740 314.1506 48.88789 314.6327 46.99280 315.1148 45.35994 315.5970 44.62994 316.0791 44.73962 316.5612 44.82187 317.0433 45.13531 317.5254 45.13504 318.0075 44.31207 318.4897 43.18210 318.9718 42.65176 319.4539 43.22101 319.9360 44.38177 320.4181 44.48180 320.9002 42.06401 321.3824 40.38559 321.8645 39.94556 322.3466 40.11722 322.8287 40.47388 323.3108 40.82358 323.7929 40.95563 324.2751 40.50713 324.7572 38.80606 325.2393 37.62405 325.7214 37.46921 326.2035 37.57211 326.6856 37.25372 327.1678 36.35852 327.6499 35.28033 328.1320 34.73155 328.6141 35.03821 329.0962 34.63983 329.5783 32.91536 330.0605 31.09090 330.5426 29.46790 331.0247 28.16168 331.5068 27.38591 331.9889 27.41884 332.4710 28.19594 332.9532 28.15117 333.4353 26.17365 333.9174 24.44960 334.3995 23.65787 334.8816 23.32819 335.3637 22.66975 335.8459 21.29504 336.3280 19.70599 336.8101 19.14345 337.2922 20.46619 337.7743 21.24513 338.2564 21.10658 338.7386 20.67691 339.2206 20.48427 339.7028 20.61006 340.1849 20.72331 340.6670 20.34035 341.1491 19.15002 341.6312 18.09760 342.1133 17.51195 342.5955 16.94402 343.0776 15.84273 343.5597 14.26712 344.0418 12.92003 344.5239 12.60562 345.0060 13.41553 345.4882 13.62854 345.9703 12.46671 346.4524 11.43349 346.9345 10.95802 347.4166 10.89891 347.8987 10.93059 348.3809 10.83722 348.8630 10.71474 349.3451 10.98207 349.8272 11.94807 350.3093 12.84395 350.7914 13.88927 351.2736 14.63290 351.7557 14.48686 352.2378 13.25787 352.7199 11.51410 353.2020 10.13850 353.6841 9.121429 354.1663 8.521744 354.6484 8.760880 355.1305 9.087753 355.6126 8.953644 356.0947 8.386215 356.5768 7.923141 357.0590 8.233414 357.5411 9.362869 358.0232 10.06096 358.5053 10.15808 358.9874 9.962463 359.4695 9.445297 359.9517 8.756622 360.4338 8.179794 360.9159 7.896378 361.3980 7.830658 361.8801 7.759857 362.3622 7.708939 362.8444 7.596024 363.3265 7.297714 363.8086 6.968277 364.2907 6.846008 364.7728 7.052505 365.2549 7.188065 365.7371 6.527603 366.2192 4.921387 366.7013 3.893005 367.1834 4.369400 367.6655 5.091217 368.1476 5.032547 368.6298 4.191437 369.1119 3.401443 369.5940 3.424591 370.0761 4.060104 370.5582 4.273148 371.0403 3.693497 371.5225 3.216034 372.0046 3.644379 372.4867 4.630997 372.9688 5.382828 373.4509 5.503204 373.9330 5.281372 374.4152 5.115631 374.8973 5.012024 375.3794 4.930298 375.8615 5.001419 376.3436 5.000580 376.8257 4.567703 377.3079 3.547180 377.7900 2.393417 378.2721 1.028275 378.7542 0.3147280 379.2363 0.3202820 379.7184 2.091003 380.2006 1.332600 380.6827 1.646325 381.1648 1.485077 381.6469 0.9830320 382.1290 1.178329 382.6111 0.3957060 383.0933 0.6904750 383.5754 2.363129 384.0575 3.708054 384.5396 3.045944 385.0217 0.6867980 385.5038 0.6239170 385.9860 5.3860000E-03 386.4681 0.9691010 386.9502 1.373428 387.4323 1.305191 387.9144 1.084793 388.3965 0.8126220 388.8787 0.5622250 389.3608 0.5759120 389.8429 1.071701 390.3250 1.333649 390.8071 1.056015 391.2892 0.5368650 391.7714 3.3570000E-03 392.2535 0.4907380 392.7356 0.6121980 393.2177 0.1438450 393.6998 2.140411 394.1819 3.100601 394.6641 2.032227 395.1462 0.9199220 395.6283 1.061646 396.1104 2.158096 396.5925 3.121246 397.0746 3.257660 397.5568 2.665939 398.0389 1.879547 398.5210 0.1424260 399.0031 0.8584590 399.4852 0.1791230 399.9673 0.9844970 400.4495 1.226227 400.9316 0.1394650 401.4137 1.485413 401.8958 2.435196 402.3779 2.436081 402.8600 2.483459 403.3422 2.769211 403.8243 2.925476 404.3064 2.445587 404.7885 1.616791 405.2706 1.309280 405.7527 2.305344 406.2349 4.392563 406.7170 5.828400 407.1991 6.258774 407.6812 6.480835 408.1633 6.530502 408.6454 6.561401 409.1276 6.749710 409.6097 7.160873 410.0918 7.686615 410.5739 8.199127 411.0560 8.713135 411.5381 9.126083 412.0203 9.303726 412.5024 9.472137 412.9845 9.780441 413.4666 10.20848 413.9487 10.62460 414.4308 10.90921 414.9130 11.10408 415.3951 11.29424 415.8772 11.32002 416.3593 11.73901 416.8414 13.39278 417.3235 15.47520 417.8057 16.79970 418.2878 16.76736 418.7699 16.54080 419.2520 17.45840 419.7341 19.37099 420.2162 20.80823 420.6984 21.19716 421.1805 21.08244 421.6626 21.15590 422.1447 21.41895 422.6268 21.61205 423.1089 21.64035 423.5911 21.54561 424.0732 21.30002 424.5553 20.89883 425.0374 20.64211 425.5195 20.78867 426.0016 21.30130 426.4838 21.78741 426.9659 22.16409 427.4480 22.60146 427.9301 23.18140 428.4122 23.87842 428.8943 24.73686 429.3765 25.81651 429.8586 26.77312 430.3407 26.93982 430.8228 25.64516 431.3049 25.04695 431.7870 25.79193 432.2692 26.76907 432.7513 27.27063 433.2334 27.22104 433.7155 26.77168 434.1976 25.97580 434.6797 24.88393 435.1619 24.23558 435.6440 24.68010 436.1261 24.82147 436.6082 24.16130 437.0903 23.18568 437.5724 22.52884 438.0546 22.38051 438.5367 22.34769 439.0188 21.64668 439.5009 19.70518 439.9830 18.74905 440.4651 20.09482 440.9473 21.35504 441.4294 21.11200 441.9115 19.77592 442.3936 18.81314 442.8757 19.44095 443.3578 20.97145 443.8400 21.17276 444.3221 19.38370 444.8042 17.77786 445.2863 17.37567 445.7684 17.42870 446.2505 17.22565 446.7327 16.59749 447.2148 16.07124 447.6969 16.43512 448.1790 17.43257 448.6611 17.41472 449.1432 15.67479 449.6254 13.81711 450.1075 13.33136 450.5896 13.83778 451.0717 14.28430 451.5538 14.62404 452.0359 14.53670 452.5181 13.37265 453.0002 11.35182 453.4823 9.958450 453.9644 9.967804 454.4465 10.82307 454.9286 11.41580 455.4108 11.94873 455.8929 11.94350 456.3750 10.66541 456.8571 9.152771 457.3392 8.800644 457.8214 9.651123 458.3035 10.39799 458.7856 9.832092 459.2677 7.907120 459.7498 6.687088 460.2319 6.592209 460.7141 6.593887 461.1962 6.466629 461.6783 6.239975 462.1604 5.962341 462.6425 5.655640 463.1246 5.350540 463.6068 5.065475 464.0889 4.675064 464.5710 4.655167 465.0531 5.543228 465.5352 6.281036 466.0173 6.254715 466.4995 5.643341 466.9816 4.996475 467.4637 4.651489 467.9458 4.548737 468.4279 4.536209 468.9100 4.707367 469.3922 4.725052 469.8743 4.117279 470.3564 3.543564 470.8385 3.688293 471.3206 4.636871 471.8027 5.567841 472.2849 5.572739 472.7670 4.994904 473.2491 5.311813 473.7312 6.990311 474.2133 8.588440 474.6954 8.941681 475.1776 8.436646 475.6597 7.869003 476.1418 6.934525 476.6239 6.496094 477.1060 7.698776 477.5881 9.933807 478.0703 11.27682 478.5524 10.94441 479.0345 10.02290 479.5166 10.17827 479.9987 11.80359 480.4808 12.63844 480.9630 11.76314 481.4451 10.73094 481.9272 10.59595 482.4093 11.25764 482.8914 12.16940 483.3735 13.04408 483.8557 13.82025 484.3378 14.27992 484.8199 14.21439 485.3020 14.10365 485.7841 13.82613 486.2662 13.61748 486.7484 13.68124 487.2305 14.01564 487.7126 14.39275 488.1947 14.55577 488.6768 14.56937 489.1589 15.10126 489.6411 16.68839 490.1232 17.97342 490.6053 18.56209 491.0874 18.65184 491.5695 18.39651 492.0516 17.82291 492.5338 17.14333 493.0159 16.55612 493.4980 16.05238 493.9801 15.57491 494.4622 15.04398 494.9443 14.61557 495.4265 14.35834 495.9086 14.29895 496.3907 14.60095 496.8728 15.74481 497.3549 16.87131 497.8370 17.25360 498.3192 17.03374 498.8013 16.44762 499.2834 15.46271 499.7655 14.60867 500.2476 14.92539 500.7297 16.96051 501.2119 18.33585 501.6940 18.58047 502.1761 18.38853 502.6582 18.17526 503.1403 17.96214 503.6224 17.58305 504.1045 16.89667 504.5866 16.08386 505.0688 15.81963 505.5509 16.65363 506.0330 17.18678 506.5151 17.26819 506.9972 17.18755 507.4793 17.05664 507.9615 16.91261 508.4436 16.85309 508.9257 17.12148 509.4078 17.63380 509.8899 17.28564 510.3720 15.38490 510.8542 14.13785 511.3363 14.92090 511.8184 16.46480 512.3005 17.62646 512.7827 18.20326 513.2648 18.39178 513.7469 18.27448 514.2290 17.88658 514.7111 17.24567 515.1932 16.27847 515.6754 15.42790 516.1575 15.16904 516.6396 15.32756 517.1217 15.07379 517.6038 13.85214 518.0859 12.86847 518.5681 12.91696 519.0502 13.50035 519.5323 13.69592 520.0144 13.24776 520.4965 12.59584 520.9786 12.26610 521.4608 12.30559 521.9429 12.44324 522.4250 12.78972 522.9071 13.00261 523.3892 13.12221 523.8713 13.05849 524.3535 12.50284 524.8356 11.30225 525.3177 10.05530 525.7998 9.889587 526.2819 11.10751 526.7640 11.88321 527.2462 11.80043 527.7283 11.55751 528.2104 11.50243 528.6925 11.55019 529.1746 11.49690 529.6567 11.30295 530.1389 10.89423 530.6210 9.958878 531.1031 8.550461 531.5852 7.669785 532.0673 7.795944 532.5494 8.259674 533.0316 8.201019 533.5137 7.660400 533.9958 7.241730 534.4779 7.516495 534.9600 7.586517 535.4421 6.220032 535.9243 3.950928 536.4064 2.677216 536.8885 3.381653 537.3706 5.211334 537.8527 6.396942 538.3348 6.870865 538.8170 6.758423 539.2991 5.537598 539.7812 4.248520 540.2633 3.503265 540.7454 3.207138 541.2275 2.954910 541.7097 2.510239 542.1918 1.919266 542.6739 1.229416 543.1560 0.2833860 543.6381 0.2601170 544.1202 0.2349700 544.6024 0.7676090 545.0845 0.5287630 545.5666 0.3357850 546.0487 0.9034730 546.5308 0.4621120 547.0129 0.4506070 547.4951 1.073547 547.9772 1.408524 548.4593 1.411179 548.9414 0.9666440 549.4235 0.2940370 549.9056 0.2229770 550.3878 0.5748600 550.8699 0.8847810 551.3520 1.325684 551.8341 1.614426 552.3162 1.360870 552.7983 0.7073670 553.2805 0.2317050 553.7626 0.2956090 554.2447 0.6538540 554.7268 0.5498960 555.2089 0.6328740 555.6910 0.6453153 556.1732 0.3553310 556.6553 0.4839020 557.1374 0.4550020 557.6195 0.2782750 558.1016 0.9501950 558.5837 1.032852 559.0659 0.8166660 559.5480 1.076859 560.0301 1.938812 560.5122 2.515350 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