#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 16:00:27 +0300 (Thu, 24 May 2018) $ #$Revision: 861 $ #$URL: svn://172.16.1.111/rod/cif/8/10/00/8100024.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_8100024 loop_ _publ_author_name 'Nagl, A.' _publ_section_title ; The crystal structure of a thallium sulfosalt, Tl8Pb4Sb21As19S68 Locality: Jas Roux, France ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 85 _journal_page_last 106 _journal_volume 150 _journal_year 1979 _chemical_compound_source R140106 _chemical_formula_sum 'As19 Pb4 S68 Sb21 Tl8' _chemical_name_mineral Chabourneite _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 83.98 _cell_angle_beta 89.06 _cell_angle_gamma 83.20 _cell_length_a 16.320 _cell_length_b 21.3180 _cell_length_c 8.543 _cell_volume 2934.986 _exptl_crystal_density_diffrn 4.880 _cod_original_formula_sum 'Tl8 Pb4 Sb21 As19 S68' _cod_database_code 9011429 _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 R140106.rod _rod_data_source.block 3500000 _rod_database.code 8100024 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 9011429 COD http://www.crystallography.net/cod/9011429.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 111.9606 0.0000000E+00 112.4427 7.2692998E-02 112.9248 2.6427999E-02 113.4069 2.377869 113.8890 5.695679 114.3712 9.040894 114.8533 12.37103 115.3354 15.41864 115.8175 17.96497 116.2996 19.98584 116.7817 21.96906 117.2639 24.42969 117.7460 26.89667 118.2281 28.88794 118.7102 29.71124 119.1923 30.11951 119.6744 30.63251 120.1566 31.26093 120.6387 31.92358 121.1208 32.43121 121.6029 32.93744 122.0850 33.74915 122.5671 35.58264 123.0493 37.54559 123.5314 39.02545 124.0135 40.35150 124.4956 41.19409 124.9777 40.24554 125.4598 37.48242 125.9420 34.75568 126.4241 33.22485 126.9062 32.83038 127.3883 32.75012 127.8704 32.36987 128.3525 31.53418 128.8347 29.90845 129.3168 27.52344 129.7989 25.07703 130.2810 23.36261 130.7631 22.13159 131.2452 20.28601 131.7274 17.34265 132.2095 13.71368 132.6916 10.37500 133.1737 7.294312 133.6558 4.674805 134.1379 2.777527 134.6201 1.604614 135.1022 0.6033940 135.5843 0.4439700 136.0664 1.476624 136.5485 2.008667 137.0306 1.991699 137.5128 1.597351 137.9949 0.8715210 138.4770 0.3104860 138.9591 1.307251 139.4412 1.853638 139.9233 1.652466 140.4055 1.241028 140.8876 0.4832760 141.3697 0.3718260 141.8518 0.9594730 142.3339 1.368713 142.8160 1.333496 143.2982 0.6842040 143.7803 0.7622680 144.2624 2.204956 144.7445 3.625366 145.2266 5.053589 145.7087 6.450684 146.1909 7.747620 146.6730 9.154907 147.1551 10.83923 147.6372 13.36371 148.1193 15.17834 148.6014 15.81940 149.0836 15.69452 149.5657 16.26483 150.0478 18.21429 150.5299 20.28497 151.0120 21.94489 151.4941 22.49829 151.9763 23.42346 152.4584 25.46271 152.9405 28.17169 153.4226 29.40790 153.9047 27.37238 154.3868 24.88177 154.8690 23.46887 155.3511 24.70209 155.8332 25.60358 156.3153 25.76477 156.7974 25.06897 157.2795 23.98297 157.7617 22.66675 158.2438 21.01648 158.7259 18.97675 159.2080 15.73822 159.6901 12.76605 160.1722 10.39728 160.6544 8.565796 161.1365 7.148682 161.6186 6.719055 162.1007 6.597961 162.5828 6.135437 163.0649 4.577637 163.5471 3.077271 164.0292 2.278625 164.5113 2.198792 164.9934 2.055603 165.4755 1.052185 165.9576 0.1441650 166.4398 0.7020260 166.9219 0.1162110 167.4040 1.371826 167.8861 2.532715 168.3682 3.584351 168.8503 4.445313 169.3325 4.685242 169.8146 4.620300 170.2967 5.081055 170.7788 6.864441 171.2609 9.074890 171.7430 10.74139 172.2252 11.73083 172.7073 12.96057 173.1894 15.80432 173.6715 19.51172 174.1536 22.29663 174.6357 22.47406 175.1179 21.66644 175.6000 21.90741 176.0821 23.47015 176.5642 25.41901 177.0463 26.82410 177.5284 27.86475 178.0106 29.06226 178.4927 30.99591 178.9748 33.21277 179.4569 34.81903 179.9390 35.65253 180.4211 36.26660 180.9033 37.26355 181.3854 38.61877 181.8675 40.15625 182.3496 41.80017 182.8317 43.55396 183.3138 45.51483 183.7960 47.65686 184.2781 50.04401 184.7602 52.69000 185.2423 55.62128 185.7244 58.84222 186.2065 62.67017 186.6887 66.87000 187.1708 70.62195 187.6529 73.77527 188.1350 76.54785 188.6171 79.67621 189.0992 83.14221 189.5814 85.30261 190.0635 84.81116 190.5456 81.92261 191.0277 78.55212 191.5098 75.09045 191.9919 70.96503 192.4741 64.52777 192.9562 55.69379 193.4383 46.83588 193.9204 39.73035 194.4025 34.31012 194.8846 29.00238 195.3668 23.56561 195.8489 18.25702 196.3310 13.56287 196.8131 9.427002 197.2952 6.075195 197.7773 3.909302 198.2595 2.973450 198.7416 1.761475 199.2237 6.4331003E-02 199.7058 2.142822 200.1879 3.422058 200.6700 3.780273 201.1522 3.759644 201.6343 3.666931 202.1164 3.541321 202.5985 3.395813 203.0806 3.184082 203.5627 2.979126 204.0449 3.073730 204.5270 3.555481 205.0091 4.064941 205.4912 4.345398 205.9733 4.363831 206.4554 4.390442 206.9376 4.515381 207.4197 4.654602 207.9018 4.491882 208.3839 4.010864 208.8660 3.254883 209.3481 2.280762 209.8303 1.108582 210.3124 0.4735720 210.7945 2.676147 211.2766 5.281250 211.7587 7.543579 212.2408 9.588013 212.7230 11.03979 213.2051 11.50378 213.6872 10.61493 214.1693 10.00952 214.6514 10.05219 215.1335 10.49054 215.6157 10.08063 216.0978 8.406677 216.5799 6.605896 217.0620 5.410645 217.5441 4.977112 218.0262 4.657166 218.5084 4.333618 218.9905 4.069702 219.4726 4.212769 219.9547 4.908691 220.4368 5.779907 220.9189 6.516846 221.4011 6.887268 221.8832 7.863892 222.3653 9.946228 222.8474 12.72015 223.3295 14.29248 223.8116 14.10168 224.2938 13.50153 224.7759 13.23279 225.2580 13.10168 225.7401 13.79291 226.2222 15.77600 226.7043 18.61316 227.1865 20.40344 227.6686 20.23230 228.1507 20.31177 228.6328 22.13336 229.1149 26.96362 229.5970 30.50830 230.0792 32.12384 230.5613 32.26935 231.0434 32.54059 231.5255 32.50134 232.0076 33.23700 232.4897 35.47711 232.9719 40.04114 233.4540 44.28625 233.9361 48.10773 234.4182 51.57098 234.9003 54.89062 235.3824 57.80652 235.8646 60.95483 236.3467 64.81982 236.8288 70.30737 237.3109 74.37012 237.7930 76.14630 238.2751 76.56372 238.7573 78.44891 239.2394 82.45776 239.7215 86.96588 240.2036 91.44409 240.6857 96.47974 241.1678 100.0167 241.6500 101.3157 242.1321 101.3059 242.6142 102.3347 243.0963 104.4981 243.5784 107.5753 244.0605 111.6158 244.5427 117.2731 245.0248 122.2643 245.5069 126.3925 245.9890 129.9586 246.4711 133.4356 246.9532 136.3700 247.4354 140.0304 247.9175 144.8526 248.3996 150.9493 248.8817 158.0240 249.3638 166.5396 249.8459 175.7906 250.3281 184.4380 250.8102 192.1703 251.2923 199.9055 251.7744 208.2004 252.2565 217.3419 252.7386 225.7436 253.2208 234.2433 253.7029 241.3812 254.1850 244.8544 254.6671 243.7525 255.1492 240.6949 255.6313 236.2775 256.1135 230.4098 256.5956 223.7990 257.0777 216.3307 257.5598 208.2322 258.0419 199.5582 258.5240 189.4394 259.0062 181.0333 259.4883 175.5909 259.9704 173.4381 260.4525 170.6146 260.9346 166.7424 261.4167 162.7239 261.8989 159.7310 262.3810 158.2981 262.8631 156.4742 263.3452 153.4805 263.8273 149.3144 264.3094 147.0117 264.7916 147.0575 265.2737 148.1360 265.7558 149.0024 266.2379 149.5283 266.7200 150.3383 267.2021 151.6021 267.6843 153.2825 268.1664 154.9403 268.6485 156.3340 269.1306 158.1228 269.6127 161.0538 270.0948 165.4468 270.5770 169.3497 271.0591 172.0049 271.5412 173.8994 272.0233 177.8692 272.5054 184.5570 272.9875 191.3840 273.4697 196.2435 273.9518 198.8021 274.4339 201.7697 274.9160 205.3921 275.3981 209.6578 275.8802 214.7577 276.3624 220.7736 276.8445 227.0717 277.3266 233.5624 277.8087 240.3408 278.2908 245.8312 278.7729 249.5813 279.2551 252.3704 279.7372 255.8519 280.2193 260.1143 280.7014 264.6031 281.1835 269.2683 281.6656 274.0993 282.1478 278.0458 282.6299 280.6903 283.1120 283.1955 283.5941 287.8284 284.0762 294.7147 284.5583 301.5606 285.0405 307.3117 285.5226 312.0773 286.0047 316.8417 286.4868 321.6077 286.9689 326.4236 287.4510 331.2457 287.9332 336.0588 288.4153 340.9977 288.8974 345.9304 289.3795 350.9975 289.8616 356.7715 290.3438 363.3963 290.8259 369.7087 291.3080 374.2183 291.7901 377.1382 292.2722 380.0078 292.7543 383.4626 293.2365 387.0886 293.7186 389.7061 294.2007 391.2774 294.6828 392.8488 295.1649 395.8464 295.6470 399.6833 296.1292 402.5009 296.6113 403.7449 297.0934 403.6858 297.5755 402.5327 298.0576 400.3631 298.5397 397.8856 299.0219 395.3259 299.5040 392.7637 299.9861 390.4656 300.4682 388.7581 300.9503 386.9159 301.4324 384.1507 301.9146 380.5152 302.3967 376.0008 302.8788 370.3940 303.3609 364.0128 303.8430 357.3763 304.3251 350.5242 304.8073 343.5662 305.2894 336.5015 305.7715 329.3651 306.2536 322.0123 306.7357 314.9641 307.2178 307.4401 307.7000 298.4261 308.1821 287.6862 308.6642 276.9550 309.1463 267.7709 309.6284 259.3962 310.1105 250.5312 310.5927 240.0225 311.0748 229.4008 311.5569 219.8082 312.0390 211.2527 312.5211 202.5251 313.0032 192.7075 313.4854 182.4437 313.9675 172.5804 314.4496 163.0416 314.9317 154.1856 315.4138 146.2632 315.8959 139.2721 316.3781 132.6493 316.8602 126.5173 317.3423 120.5397 317.8244 114.4445 318.3065 107.6738 318.7886 101.4406 319.2708 96.48309 319.7529 92.47552 320.2350 88.45178 320.7171 84.57227 321.1992 80.29321 321.6813 75.15393 322.1635 68.33704 322.6456 62.43823 323.1277 58.15472 323.6098 55.05713 324.0919 52.41772 324.5740 50.99854 325.0562 49.27332 325.5383 46.65747 326.0204 42.84460 326.5025 39.23157 326.9846 35.50922 327.4667 32.23395 327.9489 29.93781 328.4310 30.11707 328.9131 29.50446 329.3952 27.27063 329.8773 23.39642 330.3594 20.20587 330.8416 17.71906 331.3237 15.91693 331.8058 14.91113 332.2879 15.55048 332.7700 15.63379 333.2521 14.68768 333.7343 12.87628 334.2164 11.64508 334.6985 11.48444 335.1806 11.28204 335.6627 10.26764 336.1448 7.876892 336.6270 6.496765 337.1091 6.620544 337.5912 7.530151 338.0733 7.613525 338.5554 6.597534 339.0375 5.574341 339.5197 5.125061 340.0018 5.354309 340.4839 4.965729 340.9660 3.735229 341.4481 2.293945 341.9302 1.768311 342.4124 2.253357 342.8945 2.377380 343.3766 1.533508 343.8587 1.0956000E-02 344.3408 1.003113 344.8229 1.493439 345.3051 1.554504 345.7872 1.023987 346.2693 1.4740000E-02 346.7514 0.6915280 347.2335 0.9013980 347.7156 0.7860720 348.1978 0.6912840 348.6799 0.6039430 349.1620 0.3494260 349.6441 0.4278870 350.1262 1.436829 350.6083 1.885590 351.0905 1.563477 351.5726 1.122253 352.0547 1.423981 352.5368 2.257629 353.0189 2.991486 353.5010 3.565826 353.9832 3.784637 354.4653 2.987885 354.9474 1.084259 355.4295 0.2861630 355.9116 1.036041 356.3937 3.554352 356.8759 4.993896 357.3580 3.398804 357.8401 1.430298 358.3222 1.057190 358.8043 2.028961 359.2864 2.881683 359.7686 2.752655 360.2507 2.238220 360.7328 1.825653 361.2149 1.652039 361.6970 1.549774 362.1791 1.542694 362.6613 1.565887 363.1434 1.466888 363.6255 0.9481510 364.1076 0.5063780 364.5897 0.3871460 365.0718 0.6638180 365.5540 1.070709 366.0361 1.792908 366.5182 2.543701 367.0003 2.977142 367.4824 2.913086 367.9645 2.654938 368.4467 2.261139 368.9288 1.730072 369.4109 0.9988400 369.8930 0.4140630 370.3751 1.675995 370.8572 2.147522 371.3394 0.8339230 371.8215 0.4742740 372.3036 1.836151 372.7857 4.280029 373.2678 5.450592 373.7499 4.792389 374.2321 3.831573 374.7142 3.179932 375.1963 2.757843 375.6784 3.037567 376.1605 4.326233 376.6426 5.917114 377.1248 6.557159 377.6069 6.046967 378.0890 5.827179 378.5711 6.668213 379.0532 8.300873 379.5353 8.546417 380.0175 7.197845 380.4996 5.497711 380.9817 4.655182 381.4638 4.575562 381.9459 4.392456 382.4280 3.865540 382.9102 3.239014 383.3923 3.092163 383.8744 3.368866 384.3565 3.578125 384.8386 3.030396 385.3207 2.243439 385.8029 2.554077 386.2850 4.292084 386.7671 6.042725 387.2492 6.138519 387.7313 5.128967 388.2134 4.268097 388.6956 4.740265 389.1777 5.238770 389.6598 4.102478 390.1419 1.451416 390.6240 0.5556340 391.1061 0.1405330 391.5883 1.396484 392.0704 2.690399 392.5525 3.194244 393.0346 3.640381 393.5167 4.636292 393.9988 5.877319 394.4810 6.514099 394.9631 5.441162 395.4452 4.320160 395.9273 4.148285 396.4094 5.518768 396.8915 6.296967 397.3737 5.172791 397.8558 3.543762 398.3379 3.132019 398.8200 5.518433 399.3021 7.626465 399.7842 8.863403 400.2664 9.226776 400.7485 9.348480 401.2306 8.962799 401.7127 8.583252 402.1948 8.520599 402.6769 9.004730 403.1591 9.376190 403.6412 9.642822 404.1233 9.813171 404.6054 9.757050 405.0875 9.345215 405.5696 9.078766 406.0518 9.217651 406.5339 9.779358 407.0160 10.30350 407.4981 10.80365 407.9802 11.10159 408.4623 11.00797 408.9445 10.57236 409.4266 9.959442 409.9087 8.908539 410.3908 7.862488 410.8729 8.343262 411.3550 10.30972 411.8372 12.02063 412.3193 12.06094 412.8014 11.06064 413.2835 10.19992 413.7656 9.401550 414.2477 8.848541 414.7299 9.341461 415.2120 10.57587 415.6941 11.37408 416.1762 10.24942 416.6583 8.786346 417.1404 8.618225 417.6226 9.788086 418.1047 11.08960 418.5868 11.96512 419.0689 12.52744 419.5510 12.89478 420.0331 12.93707 420.5153 12.98044 420.9974 13.23517 421.4795 13.62878 421.9616 13.88910 422.4437 13.85391 422.9258 13.70721 423.4080 13.59885 423.8901 13.66150 424.3722 13.25714 424.8543 11.80435 425.3364 10.19498 425.8185 9.299347 426.3007 9.637238 426.7828 9.964325 427.2649 10.11765 427.7470 10.16632 428.2291 10.27414 428.7112 10.45676 429.1934 10.49548 429.6755 10.23032 430.1576 9.583527 430.6397 9.494263 431.1218 10.04178 431.6039 10.91568 432.0861 11.70203 432.5682 12.39798 433.0503 13.10837 433.5324 14.04443 434.0145 15.04132 434.4966 15.35056 434.9788 14.94360 435.4609 14.30820 435.9430 13.58218 436.4251 12.96533 436.9072 12.99814 437.3893 13.83127 437.8715 15.13345 438.3536 16.94852 438.8357 18.99628 439.3178 20.48318 439.7999 19.98465 440.2820 19.35544 440.7642 20.68839 441.2463 24.11865 441.7284 27.13394 442.2105 28.27960 442.6926 28.36832 443.1747 28.16370 443.6569 27.29138 444.1390 26.94467 444.6211 27.59161 445.1032 29.01422 445.5853 30.63275 446.0674 32.68051 446.5496 34.65598 447.0317 36.42105 447.5138 38.03238 447.9959 39.06146 448.4780 39.26849 448.9601 39.16949 449.4423 39.19720 449.9244 39.40427 450.4065 39.52789 450.8886 39.61273 451.3707 39.59262 451.8528 39.06973 452.3350 37.87534 452.8171 36.58365 453.2992 35.58084 453.7813 34.88251 454.2634 33.69162 454.7455 31.80243 455.2277 29.87268 455.7098 28.94281 456.1919 28.87561 456.6740 28.61926 457.1561 27.83450 457.6382 26.58578 458.1204 24.74597 458.6025 22.40665 459.0846 20.35541 459.5667 19.20676 460.0488 18.62259 460.5309 18.20261 461.0131 17.91843 461.4952 17.66168 461.9773 17.47330 462.4594 17.24023 462.9415 16.79282 463.4236 15.26257 463.9058 14.26620 464.3879 15.17819 464.8700 17.68311 465.3521 18.93668 465.8342 16.79355 466.3163 14.26889 466.7985 13.07590 467.2806 14.29208 467.7627 15.09393 468.2448 14.98608 468.7269 14.63535 469.2090 15.05054 469.6912 16.90463 470.1733 18.25491 470.6554 18.48926 471.1375 17.73315 471.6196 17.50925 472.1017 17.97903 472.5839 18.56018 473.0660 18.82373 473.5481 18.75552 474.0302 18.81543 474.5123 19.02316 474.9944 19.42194 475.4766 20.19556 475.9587 21.28024 476.4408 22.26752 476.9229 23.19711 477.4050 23.80957 477.8871 23.39404 478.3693 22.07217 478.8514 20.85590 479.3335 20.34735 479.8156 20.41873 480.2977 21.04904 480.7798 22.42767 481.2620 23.60284 481.7441 24.05606 482.2262 23.95068 482.7083 23.51163 483.1904 22.01273 483.6725 20.95154 484.1547 21.46866 484.6368 23.36877 485.1189 23.97928 485.6010 21.02927 486.0831 18.18323 486.5652 17.41312 487.0474 20.18964 487.5295 21.88449 488.0116 22.30743 488.4937 21.76886 488.9758 20.47470 489.4579 17.95782 489.9401 16.12891 490.4222 15.54242 490.9043 15.98053 491.3864 16.58063 491.8685 17.42236 492.3506 17.93423 492.8328 17.45856 493.3149 16.22754 493.7970 15.39804 494.2791 15.11313 494.7612 14.94235 495.2433 14.22556 495.7255 13.22757 496.2076 12.63858 496.6897 13.15402 497.1718 13.75925 497.6539 13.42950 498.1360 12.33698 498.6182 11.12582 499.1003 9.836731 499.5824 8.759155 500.0645 8.129272 500.5466 7.992859 501.0287 8.157288 501.5109 8.993866 501.9930 9.885681 502.4751 10.20172 502.9572 8.895905 503.4393 8.279327 503.9214 8.946350 504.4036 10.38556 504.8857 11.08298 505.3678 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