#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:29:08 +0300 (Thu, 26 Apr 2018) $ #$Revision: 485 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000040.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_1000040 loop_ _publ_author_name 'Lebas, G.' 'le Bihan, M. T.' _publ_section_title ; Etude chimique et structurale d'un sulfure naturel: la zinckenite Locality: Oruro, Bolivia ; _journal_name_full 'Bulletin de Mineralogie' _journal_page_first 351 _journal_page_last 360 _journal_volume 99 _journal_year 1976 _chemical_compound_source R060186 _chemical_formula_sum 'Pb1.6 S7 Sb3.4' _chemical_name_mineral Zinkenite _space_group_IT_number 173 _symmetry_space_group_name_Hall 'P 6c' _symmetry_space_group_name_H-M 'P 63' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 22.12 _cell_length_b 22.12 _cell_length_c 4.32 _cell_volume 1830.563 _exptl_crystal_density_diffrn 5.279 _cod_original_formula_sum 'Sb3.4 Pb1.6 S7' _cod_database_code 9012083 _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 R060186.rod _rod_data_source.block 3500000 _rod_database.code 1000040 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 9012083 COD http://www.crystallography.net/cod/9012083.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 125.2914 0.0000000E+00 125.7735 13.75098 126.2557 31.08130 126.7378 49.90417 127.2199 66.41565 127.7020 80.00232 128.1841 91.14069 128.6662 98.34033 129.1483 101.7648 129.6305 105.6111 130.1126 109.2437 130.5947 109.2382 131.0768 103.6306 131.5589 93.03711 132.0410 77.50354 132.5232 61.20312 133.0053 46.80701 133.4874 35.49603 133.9695 26.42261 134.4516 18.40607 134.9337 10.94037 135.4159 5.587036 135.8980 3.458618 136.3801 2.036011 136.8622 1.068420 137.3443 0.4700320 137.8264 0.1652220 138.3086 0.1386110 138.7907 0.4163210 139.2728 0.8461300 139.7549 2.462402 140.2370 3.093994 140.7191 1.945679 141.2013 0.1607670 141.6834 2.097290 142.1655 3.363525 142.6476 3.937134 143.1297 3.840942 143.6118 3.237183 144.0939 1.007446 144.5761 5.484619 145.0582 14.85388 145.5403 24.85571 146.0224 33.45361 146.5045 40.37915 146.9866 46.25427 147.4688 52.09766 147.9509 59.22986 148.4330 67.90942 148.9151 78.30164 149.3972 89.35425 149.8793 99.61255 150.3615 110.4619 150.8436 124.1381 151.3257 141.9116 151.8078 162.7168 152.2899 184.1050 152.7720 207.2762 153.2542 229.2170 153.7363 249.6719 154.2184 268.3474 154.7005 285.4191 155.1826 301.8884 155.6647 317.1222 156.1469 323.9456 156.6290 318.6233 157.1111 307.0813 157.5932 289.7041 158.0753 267.2467 158.5574 240.5784 159.0396 209.8757 159.5217 174.4744 160.0038 141.1361 160.4859 109.9406 160.9680 80.35071 161.4501 51.48132 161.9323 23.81848 162.4144 0.9594730 162.8965 20.99207 163.3786 35.57043 163.8607 46.95105 164.3428 55.12720 164.8250 60.47961 165.3071 63.00317 165.7892 62.75708 166.2713 60.30054 166.7534 56.14990 167.2355 50.28064 167.7177 42.41003 168.1998 31.81152 168.6819 19.35229 169.1640 6.113647 169.6461 7.697266 170.1282 22.16833 170.6104 37.04077 171.0925 52.21106 171.5746 68.92859 172.0567 87.91602 172.5388 108.7974 173.0209 130.6222 173.5031 153.7379 173.9852 176.9982 174.4673 199.5591 174.9494 221.4537 175.4315 243.6475 175.9136 266.2297 176.3958 289.2996 176.8779 314.2970 177.3600 343.2472 177.8421 372.8173 178.3242 400.6562 178.8063 426.9257 179.2885 453.2087 179.7706 481.3801 180.2527 511.8524 180.7348 542.7496 181.2169 573.4463 181.6990 604.9434 182.1812 638.0708 182.6633 672.9030 183.1454 706.8182 183.6275 739.0415 184.1096 767.6692 184.5917 798.6821 185.0738 833.2837 185.5560 868.9988 186.0381 904.0677 186.5202 938.0266 187.0023 971.4645 187.4844 1005.204 187.9665 1041.299 188.4487 1074.237 188.9308 1104.521 189.4129 1131.406 189.8950 1154.382 190.3771 1173.154 190.8592 1187.525 191.3414 1196.871 191.8235 1201.457 192.3056 1200.251 192.7877 1191.911 193.2698 1178.062 193.7519 1160.250 194.2341 1138.616 194.7162 1114.536 195.1983 1090.642 195.6804 1067.650 196.1625 1043.010 196.6446 1014.567 197.1268 983.8479 197.6089 954.0398 198.0910 925.8442 198.5731 899.4745 199.0552 875.0146 199.5373 852.2185 200.0195 831.1832 200.5016 813.0071 200.9837 797.0151 201.4658 779.6370 201.9479 758.5713 202.4300 736.8743 202.9122 718.3829 203.3943 703.3999 203.8764 688.7156 204.3585 671.7505 204.8406 652.5059 205.3227 633.0583 205.8048 613.3645 206.2870 594.1348 206.7691 576.4958 207.2512 560.5518 207.7333 544.3247 208.2154 525.1912 208.6975 502.3762 209.1797 481.2634 209.6618 463.9447 210.1439 447.7839 210.6260 431.4291 211.1081 414.6665 211.5902 398.2944 212.0724 383.4395 212.5545 370.6669 213.0366 357.9774 213.5187 343.8462 214.0008 330.7219 214.4829 319.9575 214.9651 311.9056 215.4472 306.0460 215.9293 301.5820 216.4114 297.9728 216.8935 297.2727 217.3756 300.5569 217.8578 305.3950 218.3399 309.8384 218.8220 313.5797 219.3041 318.0673 219.7862 325.4933 220.2683 336.9178 220.7505 349.3749 221.2326 363.5162 221.7147 378.1796 222.1968 392.0203 222.6789 404.9454 223.1610 418.6724 223.6432 435.8496 224.1253 458.9015 224.6074 480.8984 225.0895 500.0466 225.5716 519.2656 226.0537 541.2671 226.5358 566.6888 227.0180 593.7737 227.5001 620.0358 227.9822 644.6118 228.4643 670.7896 228.9464 698.7417 229.4285 728.3730 229.9107 760.0146 230.3928 793.7930 230.8749 827.5854 231.3570 857.8496 231.8391 884.1162 232.3212 911.9678 232.8034 944.0950 233.2855 977.4998 233.7676 1008.543 234.2497 1036.551 234.7318 1062.382 235.2139 1087.711 235.6961 1112.458 236.1782 1132.673 236.6603 1146.997 237.1424 1156.274 237.6245 1162.007 238.1066 1164.563 238.5888 1162.818 239.0709 1155.303 239.5530 1142.824 240.0351 1125.469 240.5172 1102.778 240.9993 1075.244 241.4815 1043.520 241.9636 1006.700 242.4457 967.5417 242.9278 926.8621 243.4099 885.3524 243.8920 844.5729 244.3742 805.9924 244.8563 768.5938 245.3384 729.4861 245.8205 687.2107 246.3026 646.7661 246.7847 610.3042 247.2668 577.4851 247.7490 548.2454 248.2311 522.9473 248.7132 501.1057 249.1953 481.1177 249.6774 463.2969 250.1595 447.0040 250.6417 430.4667 251.1238 415.4622 251.6059 404.6559 252.0880 399.6790 252.5701 399.1034 253.0522 399.2920 253.5344 399.8685 254.0165 402.1670 254.4986 405.9448 254.9807 411.5568 255.4628 419.4565 255.9449 429.8594 256.4271 442.5570 256.9092 457.1365 257.3913 473.4506 257.8734 492.2058 258.3555 513.3569 258.8376 536.5323 259.3198 561.1949 259.8019 587.0555 260.2840 615.0443 260.7661 647.1892 261.2482 684.4784 261.7303 724.5369 262.2125 767.3655 262.6946 812.3240 263.1767 858.4567 263.6588 905.7262 264.1409 954.8032 264.6230 1007.552 265.1052 1066.040 265.5873 1124.422 266.0694 1181.012 266.5515 1238.129 267.0336 1296.585 267.5157 1356.778 267.9979 1419.824 268.4800 1487.121 268.9621 1559.309 269.4442 1634.527 269.9263 1712.436 270.4084 1792.972 270.8906 1874.730 271.3727 1958.061 271.8548 2045.350 272.3369 2139.849 272.8190 2242.259 273.3011 2348.308 273.7833 2458.238 274.2654 2570.615 274.7475 2684.716 275.2296 2800.396 275.7117 2916.877 276.1938 3033.233 276.6760 3149.238 277.1581 3267.582 277.6402 3394.421 278.1223 3517.702 278.6044 3634.598 279.0865 3743.957 279.5686 3844.595 280.0508 3936.556 280.5329 4019.918 281.0150 4081.861 281.4971 4127.831 281.9792 4152.126 282.4613 4153.075 282.9435 4130.612 283.4256 4084.175 283.9077 4012.834 284.3898 3917.159 284.8719 3806.352 285.3540 3673.569 285.8362 3535.397 286.3183 3392.723 286.8004 3247.934 287.2825 3103.562 287.7646 2960.004 288.2467 2819.936 288.7289 2690.935 289.2110 2569.370 289.6931 2462.501 290.1752 2374.461 290.6573 2301.762 291.1394 2240.503 291.6216 2189.149 292.1037 2148.447 292.5858 2120.168 293.0679 2106.510 293.5500 2101.508 294.0321 2106.833 294.5143 2119.641 294.9964 2137.523 295.4785 2159.854 295.9606 2185.636 296.4427 2213.848 296.9248 2245.517 297.4070 2276.833 297.8891 2306.704 298.3712 2336.763 298.8533 2368.311 299.3354 2401.488 299.8175 2436.225 300.2997 2472.585 300.7818 2510.861 301.2639 2549.350 301.7460 2588.975 302.2281 2627.829 302.7102 2664.258 303.1924 2698.442 303.6745 2732.990 304.1566 2770.424 304.6387 2810.391 305.1208 2847.631 305.6029 2880.816 306.0851 2913.008 306.5672 2944.235 307.0493 2975.429 307.5314 3009.746 308.0135 3049.685 308.4956 3093.535 308.9778 3133.314 309.4599 3172.793 309.9420 3204.789 310.4241 3233.367 310.9062 3252.402 311.3883 3251.613 311.8705 3228.282 312.3526 3178.792 312.8347 3092.574 313.3168 2972.385 313.7989 2818.618 314.2810 2620.104 314.7632 2391.935 315.2453 2145.380 315.7274 1883.060 316.2095 1620.575 316.6916 1375.775 317.1737 1146.953 317.6559 944.9810 318.1380 773.7029 318.6201 627.9887 319.1022 505.9143 319.5843 406.0519 320.0664 323.5253 320.5485 254.7535 321.0306 201.7044 321.5128 156.7896 321.9949 122.2671 322.4770 93.36160 322.9591 67.33801 323.4412 44.26120 323.9233 24.96466 324.4055 10.57056 324.8876 0.5514220 325.3697 8.443756 325.8518 16.45450 326.3339 23.65793 326.8160 30.34146 327.2982 36.29745 327.7803 41.11545 328.2624 44.53732 328.7445 46.88028 329.2266 48.98761 329.7087 51.14725 330.1909 52.64459 330.6730 52.89105 331.1551 52.53641 331.6372 52.49811 332.1193 53.05356 332.6014 53.67102 333.0836 53.62622 333.5657 52.73578 334.0478 51.51599 334.5299 49.94318 335.0120 48.05554 335.4941 45.73917 335.9763 43.02512 336.4584 40.37085 336.9405 38.24728 337.4226 36.73795 337.9047 34.70386 338.3868 32.03922 338.8690 29.05759 339.3511 25.61584 339.8332 21.94733 340.3153 18.70508 340.7974 16.37393 341.2795 14.76436 341.7617 12.60178 342.2438 9.719711 342.7259 6.573105 343.2080 3.041245 343.6901 0.6407780 344.1722 4.102615 344.6544 7.191330 345.1365 10.10652 345.6186 13.27010 346.1007 16.99699 346.5828 20.50700 347.0649 23.60269 347.5471 26.60202 348.0292 29.86848 348.5113 33.43651 348.9934 36.94415 349.4755 39.94568 349.9576 42.27513 350.4398 44.76706 350.9219 47.34901 351.4040 50.11166 351.8861 53.22462 352.3682 56.59650 352.8503 59.96645 353.3325 63.14575 353.8146 66.13939 354.2967 69.02301 354.7788 71.79257 355.2609 74.46085 355.7430 77.02875 356.2252 79.49536 356.7073 81.86411 357.1894 84.14113 357.6715 86.31052 358.1536 88.30154 358.6357 89.92654 359.1179 91.65450 359.5999 93.52293 360.0821 95.47317 360.5642 97.58204 361.0463 99.80390 361.5284 101.8794 362.0105 103.4678 362.4926 104.4941 362.9748 105.2947 363.4569 105.4769 363.9390 105.8171 364.4211 106.7550 364.9032 108.1504 365.3853 109.6156 365.8675 110.8570 366.3496 111.8970 366.8317 112.9542 367.3138 113.9926 367.7959 115.1106 368.2780 116.5410 368.7602 117.9881 369.2423 118.9987 369.7244 119.3657 370.2065 119.4930 370.6886 120.2258 371.1707 121.8692 371.6529 123.3645 372.1350 124.3872 372.6171 125.3425 373.0992 126.4714 373.5813 127.8178 374.0634 129.2669 374.5456 130.8299 375.0277 132.5345 375.5098 133.7495 375.9919 133.7811 376.4740 134.0818 376.9561 135.6121 377.4383 137.9131 377.9204 139.8789 378.4025 140.6434 378.8846 140.7697 379.3667 141.9463 379.8488 144.6228 380.3310 147.1900 380.8131 148.9191 381.2952 150.2457 381.7773 151.6139 382.2594 153.1701 382.7415 154.5876 383.2237 155.1215 383.7058 154.6917 384.1879 154.2496 384.6700 154.2950 385.1521 154.1477 385.6342 153.2323 386.1164 151.6285 386.5985 149.5855 387.0806 147.1173 387.5627 144.3195 388.0448 141.4169 388.5269 138.4596 389.0091 135.6837 389.4912 133.7088 389.9733 131.9689 390.4554 129.1902 390.9375 124.4841 391.4196 119.3659 391.9018 115.2240 392.3839 111.9848 392.8660 108.8100 393.3481 105.3169 393.8302 101.7696 394.3123 98.65865 394.7945 96.06856 395.2766 93.42704 395.7587 90.63102 396.2408 87.70535 396.7229 84.53696 397.2050 81.08073 397.6872 77.80264 398.1693 75.24297 398.6514 73.41760 399.1335 71.32790 399.6156 68.75288 400.0977 66.15559 400.5798 63.82568 401.0620 61.78378 401.5441 59.92796 402.0262 58.16753 402.5083 56.48846 402.9904 54.98630 403.4725 53.73315 403.9547 52.57538 404.4368 51.37263 404.9189 50.23763 405.4010 49.41562 405.8831 48.97623 406.3652 48.62555 406.8474 47.88190 407.3295 46.45066 407.8116 45.39323 408.2937 45.11988 408.7758 44.82956 409.2579 43.96999 409.7401 42.66809 410.2222 41.44359 410.7043 40.67566 411.1864 40.30040 411.6685 39.85114 412.1506 39.10922 412.6328 38.56473 413.1149 38.55862 413.5970 38.64998 414.0791 38.24980 414.5612 37.17946 415.0433 35.94081 415.5255 35.33588 416.0076 35.52809 416.4897 35.76999 416.9718 36.27986 417.4539 36.60889 417.9360 36.35069 418.4182 35.67522 418.9003 35.16389 419.3824 35.28275 419.8645 35.88839 420.3466 36.41187 420.8287 36.94448 421.3109 37.16551 421.7930 36.79630 422.2751 36.14095 422.7572 35.46653 423.2393 34.80544 423.7214 34.32262 424.2036 34.26501 424.6857 34.61768 425.1678 34.99629 425.6499 35.39276 426.1320 35.69646 426.6141 35.79263 427.0963 35.69693 427.5784 35.56095 428.0605 35.52225 428.5426 35.46140 429.0247 35.15561 429.5068 34.57841 429.9890 33.94873 430.4711 33.37128 430.9532 32.86024 431.4353 32.42470 431.9174 32.10904 432.3995 31.80775 432.8817 31.62486 433.3638 31.39940 433.8459 30.66976 434.3280 29.23756 434.8101 27.67074 435.2922 26.78040 435.7744 26.76505 436.2565 26.64994 436.7386 26.36849 437.2207 26.00491 437.7028 25.58337 438.1849 25.12914 438.6671 24.71553 439.1492 24.40544 439.6313 24.16101 440.1134 23.76400 440.5955 23.07493 441.0776 22.40552 441.5598 21.90282 442.0418 21.38216 442.5240 20.56600 443.0061 19.42445 443.4882 18.28886 443.9703 17.65755 444.4524 17.72930 444.9345 17.37573 445.4167 16.19777 445.8988 14.98497 446.3809 13.94161 446.8630 13.08175 447.3451 12.38428 447.8272 11.84895 448.3094 11.44334 448.7915 11.10625 449.2736 10.87433 449.7557 10.60123 450.2378 10.13628 450.7199 9.698853 451.2021 9.544540 451.6842 9.668854 452.1663 9.660110 452.6484 9.045059 453.1305 7.989746 453.6126 7.294357 454.0948 7.178726 454.5769 7.010651 455.0590 6.064331 455.5411 4.803375 456.0232 4.103821 456.5053 4.463150 456.9875 5.020691 457.4696 4.990616 457.9517 4.505905 458.4338 4.199554 458.9159 4.311111 459.3980 4.627930 459.8802 4.854889 460.3623 4.992691 460.8444 5.087357 461.3265 5.089905 461.8086 5.088882 462.2907 5.146942 462.7729 5.272751 463.2550 5.482285 463.7371 5.808105 464.2192 6.216003 464.7013 6.525375 465.1834 6.568176 465.6656 6.727127 466.1477 7.261383 466.6298 7.844528 467.1119 7.932053 467.5940 7.485260 468.0761 7.215576 468.5583 8.126373 469.0404 10.57652 469.5225 11.93910 470.0046 11.28450 470.4867 10.48131 470.9688 10.04774 471.4510 9.851303 471.9331 9.573654 472.4152 9.040359 472.8973 8.467499 473.3794 8.312408 473.8615 8.683929 474.3437 9.035736 474.8258 9.182602 475.3079 9.364334 475.7900 9.861633 476.2721 10.57852 476.7542 11.03108 477.2364 10.62241 477.7185 9.807877 478.2006 9.734650 478.6827 10.54361 479.1648 11.23402 479.6469 11.20787 480.1291 10.78906 480.6112 10.53561 481.0933 10.44238 481.5754 10.57460 482.0575 11.31026 482.5396 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