#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:59:17 +0300 (Thu, 26 Apr 2018) $ #$Revision: 574 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000118.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_1000118 loop_ _publ_author_name 'Yang, H.' 'Downs, R. T.' 'Evans, S. H.' 'Feinglos, M. N.' 'Tait, K. T.' _publ_section_title ; Crystal structure of uchucchacuaite, AgMnPb3Sb5S12, and its relationship with ramdohrite and fizelyite Note: Sample ID R100213 ; _journal_name_full 'American Mineralogist' _journal_page_first 1186 _journal_page_last 1189 _journal_paper_doi 10.2138/am.2011.3809 _journal_volume 96 _journal_year 2011 _chemical_compound_source 'Uchuc-Chacua, Lima, Peru' _chemical_formula_sum 'Ag1.049 Mn0.901 Pb3 S12 Sb5.049' _chemical_name_mineral Uchucchacuaite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 90.059 _cell_angle_gamma 90 _cell_length_a 19.3645 _cell_length_b 12.7287 _cell_length_c 8.7571 _cell_volume 2158.492 _exptl_crystal_density_diffrn 5.489 _cod_original_formula_sum 'Pb3 Mn.901 Ag1.049 Sb5.049 S12' _cod_database_code 9016727 _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 R100213.rod _rod_data_source.block 3500000 _rod_database.code 1000118 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 9016727 COD http://www.crystallography.net/cod/9016727.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 160.9945 0.0000000E+00 161.4766 1.865112 161.9587 5.869385 162.4408 10.17419 162.9229 12.83582 163.4050 17.27197 163.8871 21.80371 164.3693 20.36438 164.8514 18.39404 165.3335 18.15979 165.8156 15.31580 166.2977 13.53406 166.7798 17.59375 167.2620 24.97729 167.7441 29.08423 168.2262 25.74500 168.7083 22.77173 169.1904 25.10156 169.6725 26.59973 170.1547 28.60059 170.6368 29.49329 171.1189 28.95605 171.6010 27.00513 172.0831 23.58362 172.5652 18.28845 173.0474 13.94275 173.5295 10.60364 174.0116 8.343262 174.4937 8.330322 174.9758 10.56970 175.4579 10.63281 175.9401 3.989380 176.4222 4.622681 176.9043 9.956665 177.3864 10.49414 177.8685 8.958008 178.3506 8.904053 178.8328 10.97009 179.3149 12.19727 179.7970 10.88843 180.2791 8.623047 180.7612 6.662476 181.2433 5.404785 181.7255 4.747925 182.2076 4.758545 182.6897 6.889160 183.1718 6.852905 183.6539 1.755371 184.1360 4.767578 184.6181 8.509766 185.1003 7.279053 185.5824 2.934570 186.0645 2.076416 186.5466 7.770508 187.0287 13.56921 187.5108 18.69080 187.9930 23.36389 188.4751 27.92993 188.9572 32.53516 189.4393 37.19409 189.9214 41.88989 190.4035 45.91638 190.8857 50.67896 191.3678 56.41614 191.8499 63.04651 192.3320 70.63440 192.8141 79.37634 193.2962 88.99451 193.7784 97.38953 194.2605 103.6791 194.7426 109.9985 195.2247 116.7101 195.7068 123.9835 196.1889 132.2854 196.6711 141.9927 197.1532 152.9907 197.6353 164.2864 198.1174 174.6951 198.5995 186.4343 199.0816 201.6628 199.5638 219.9266 200.0459 237.8291 200.5280 253.0698 201.0101 266.7306 201.4922 281.6667 201.9743 298.0802 202.4565 315.8042 202.9386 335.3492 203.4207 356.8328 203.9028 377.7179 204.3849 394.5981 204.8670 410.7698 205.3492 431.2268 205.8313 458.8663 206.3134 488.5243 206.7955 513.5042 207.2776 533.0082 207.7597 551.5188 208.2419 570.3167 208.7240 589.4836 209.2061 608.8594 209.6882 628.1321 210.1703 648.1343 210.6524 670.7639 211.1346 697.0913 211.6167 722.9067 212.0988 747.2654 212.5809 770.2642 213.0630 792.0009 213.5451 812.3264 214.0273 831.5918 214.5094 850.6650 214.9915 870.6096 215.4736 888.1777 215.9557 901.9556 216.4378 913.9226 216.9200 926.2986 217.4021 940.0293 217.8842 954.2565 218.3663 966.2405 218.8484 972.1831 219.3305 979.4778 219.8127 990.3210 220.2948 1002.227 220.7769 1012.969 221.2590 1021.527 221.7411 1027.846 222.2232 1031.695 222.7054 1028.130 223.1875 1028.026 223.6696 1035.211 224.1517 1045.005 224.6338 1052.058 225.1159 1053.957 225.5980 1052.118 226.0802 1050.798 226.5623 1051.148 227.0444 1050.501 227.5265 1048.363 228.0086 1045.269 228.4907 1041.865 228.9729 1038.426 229.4550 1034.902 229.9371 1031.293 230.4192 1029.148 230.9013 1024.546 231.3834 1014.667 231.8656 1002.496 232.3477 993.0219 232.8298 988.5200 233.3119 986.0265 233.7940 978.4014 234.2761 963.1202 234.7583 949.6133 235.2404 941.1959 235.7225 936.2290 236.2046 931.7855 236.6867 926.9646 237.1688 921.8933 237.6510 917.0376 238.1331 912.8340 238.6152 907.2256 239.0973 897.7004 239.5794 886.3145 240.0615 877.5525 240.5437 872.6682 241.0258 870.5315 241.5079 869.9076 241.9900 870.6274 242.4721 872.1038 242.9542 874.1887 243.4364 876.8685 243.9185 879.9548 244.4006 883.0942 244.8827 887.3337 245.3648 893.8538 245.8469 902.4041 246.3290 911.6011 246.8112 920.7638 247.2933 930.0232 247.7754 940.1687 248.2575 951.9182 248.7396 963.4424 249.2217 972.6045 249.7039 980.1731 250.1860 988.7950 250.6681 999.5615 251.1502 1012.426 251.6323 1027.894 252.1144 1047.775 252.5966 1067.200 253.0787 1082.310 253.5608 1094.781 254.0429 1108.643 254.5250 1127.193 255.0071 1148.892 255.4893 1167.617 255.9714 1181.172 256.4535 1195.138 256.9356 1212.525 257.4177 1231.847 257.8998 1250.912 258.3820 1268.719 258.8641 1285.228 259.3462 1300.244 259.8283 1313.476 260.3104 1325.469 260.7925 1336.851 261.2747 1347.325 261.7568 1356.401 262.2389 1363.798 262.7210 1369.820 263.2031 1375.340 263.6852 1380.008 264.1674 1384.743 264.6495 1389.328 265.1316 1394.252 265.6137 1399.868 266.0958 1406.290 266.5779 1413.774 267.0601 1423.338 267.5422 1437.421 268.0243 1449.044 268.5064 1457.430 268.9885 1463.297 269.4706 1466.919 269.9528 1468.447 270.4349 1468.490 270.9170 1467.857 271.3991 1465.015 271.8812 1464.745 272.3633 1468.543 272.8455 1473.811 273.3276 1479.642 273.8097 1485.393 274.2918 1489.431 274.7739 1489.091 275.2560 1482.700 275.7382 1475.078 276.2202 1466.781 276.7024 1457.147 277.1845 1445.335 277.6666 1431.403 278.1487 1416.433 278.6308 1401.729 279.1129 1387.664 279.5951 1372.587 280.0772 1355.550 280.5593 1338.445 281.0414 1322.515 281.5235 1307.573 282.0056 1292.467 282.4878 1276.130 282.9699 1258.321 283.4520 1240.097 283.9341 1222.395 284.4162 1203.410 284.8983 1182.815 285.3805 1160.364 285.8626 1135.722 286.3447 1108.569 286.8268 1079.044 287.3089 1047.068 287.7910 1012.635 288.2732 976.1549 288.7553 937.6633 289.2374 897.3201 289.7195 855.8732 290.2016 813.7931 290.6837 770.9720 291.1659 725.2734 291.6480 672.6069 292.1301 622.1841 292.6122 576.2538 293.0943 533.2673 293.5764 491.1178 294.0586 448.6134 294.5407 406.2943 295.0228 365.4108 295.5049 322.9032 295.9870 285.8817 296.4691 257.6007 296.9513 233.6509 297.4334 209.6746 297.9155 184.3414 298.3976 158.1975 298.8797 131.9554 299.3618 102.7944 299.8440 79.65039 300.3261 65.39685 300.8082 55.38867 301.2903 45.98242 301.7724 36.51624 302.2545 28.16333 302.7367 22.29626 303.2188 19.62024 303.7009 16.65198 304.1830 12.10449 304.6651 8.216187 305.1472 6.646973 305.6294 7.404663 306.1115 9.297607 306.5936 11.17932 307.0757 12.84229 307.5578 15.69165 308.0399 19.46130 308.5221 24.23877 309.0042 31.42102 309.4863 40.04321 309.9684 47.32434 310.4505 51.23315 310.9326 52.25659 311.4148 54.46069 311.8969 57.47668 312.3790 61.70239 312.8611 67.69727 313.3432 75.22021 313.8253 83.57642 314.3075 92.29980 314.7896 101.3577 315.2717 111.1782 315.7538 123.0370 316.2359 134.2086 316.7180 143.1088 317.2001 151.7229 317.6823 162.0535 318.1644 174.7130 318.6465 189.3861 319.1286 205.6991 319.6107 223.9822 320.0928 243.8774 320.5750 264.4823 321.0571 286.7626 321.5392 312.1161 322.0213 340.6624 322.5034 371.2263 322.9855 402.4236 323.4677 434.3907 323.9498 464.9816 324.4319 493.5406 324.9140 522.0384 325.3961 552.6382 325.8782 584.0739 326.3604 613.1431 326.8425 637.5905 327.3246 657.7094 327.8067 676.7212 328.2888 694.3165 328.7709 711.3425 329.2531 728.0895 329.7352 744.4707 330.2173 760.1984 330.6994 775.0712 331.1815 789.2293 331.6636 803.1917 332.1458 814.3544 332.6279 828.7502 333.1100 848.1309 333.5921 870.1064 334.0742 892.3931 334.5563 914.1846 335.0385 936.3701 335.5206 960.2379 336.0027 986.6329 336.4848 1012.768 336.9669 1040.821 337.4490 1067.243 337.9312 1089.857 338.4133 1108.569 338.8954 1124.261 339.3775 1137.687 339.8596 1148.808 340.3417 1157.989 340.8239 1168.908 341.3060 1174.574 341.7881 1173.595 342.2702 1165.282 342.7523 1149.079 343.2344 1124.824 343.7166 1092.403 344.1987 1051.310 344.6808 996.3935 345.1629 937.5203 345.6450 873.4641 346.1271 807.0607 346.6093 740.8164 347.0914 676.2203 347.5735 612.9371 348.0556 551.4844 348.5377 489.7114 349.0198 433.7509 349.5020 383.6972 349.9841 338.3683 350.4662 297.9973 350.9483 262.3516 351.4304 230.3936 351.9125 201.3541 352.3947 175.3216 352.8768 152.0688 353.3589 133.3544 353.8410 115.6971 354.3231 97.26703 354.8052 78.99542 355.2874 62.97797 355.7695 50.92596 356.2516 42.21191 356.7337 32.67822 357.2158 19.76248 357.6979 9.716949 358.1800 5.227570 358.6621 3.269867 359.1443 0.4589840 359.6264 4.540131 360.1085 10.13910 360.5906 13.47729 361.0727 13.77081 361.5548 13.83823 362.0370 12.94730 362.5191 12.65396 363.0012 14.51303 363.4833 18.38196 363.9654 22.20309 364.4475 23.92719 364.9297 23.45847 365.4118 22.46225 365.8939 19.69199 366.3760 17.81274 366.8581 18.51498 367.3402 20.82794 367.8224 22.78815 368.3045 23.25037 368.7866 22.53571 369.2687 21.32422 369.7508 18.87619 370.2329 17.60736 370.7151 19.85443 371.1972 22.85944 371.6793 23.76218 372.1614 21.54565 372.6435 18.35617 373.1256 16.88016 373.6078 17.24600 374.0899 17.27539 374.5720 16.38864 375.0541 15.11310 375.5362 13.60928 376.0183 11.99265 376.5005 10.82669 376.9826 11.33936 377.4647 12.73148 377.9468 11.62582 378.4289 6.575623 378.9110 1.788605 379.3932 1.120972 379.8753 2.650970 380.3574 2.628845 380.8395 1.253662 381.3216 6.139709 381.8037 8.141083 382.2859 7.186371 382.7680 6.793640 383.2501 8.749817 383.7322 12.03207 384.2143 14.88190 384.6964 17.18118 385.1786 19.39122 385.6607 22.09117 386.1428 24.92204 386.6249 26.69151 387.1070 26.82314 387.5891 26.71407 388.0713 28.15755 388.5534 30.99382 389.0355 33.73055 389.5176 36.58858 389.9997 38.88814 390.4818 39.32076 390.9640 37.99274 391.4461 37.32825 391.9282 39.00583 392.4103 42.77773 392.8924 46.78326 393.3745 52.15733 393.8567 56.51501 394.3388 58.28949 394.8209 58.45328 395.3030 58.79994 395.7851 59.94684 396.2672 61.73488 396.7494 64.00375 397.2315 67.42198 397.7136 69.64047 398.1957 68.59917 398.6778 67.62540 399.1599 70.17264 399.6420 76.12276 400.1241 82.25169 400.6063 85.70897 401.0884 86.42667 401.5705 86.82664 402.0526 85.93323 402.5347 85.83080 403.0168 87.62088 403.4990 90.53310 403.9811 93.31021 404.4632 95.34674 404.9453 96.97617 405.4274 99.07585 405.9095 102.5870 406.3917 104.9231 406.8738 105.2695 407.3559 105.0851 407.8380 105.3382 408.3201 106.1712 408.8022 107.1940 409.2844 108.0009 409.7665 108.5748 410.2486 109.2368 410.7307 109.1740 411.2128 110.1678 411.6949 113.7610 412.1771 118.5385 412.6592 122.2327 413.1413 123.6596 413.6234 123.6298 414.1055 123.7177 414.5876 123.7668 415.0698 124.4011 415.5519 126.8537 416.0340 129.2178 416.5161 129.4812 416.9982 127.6016 417.4803 126.4180 417.9625 129.3425 418.4446 135.6103 418.9267 139.5726 419.4088 140.1046 419.8909 139.6402 420.3730 139.5034 420.8552 139.4013 421.3373 138.8619 421.8194 137.6810 422.3015 136.2274 422.7836 135.0375 423.2657 134.1397 423.7479 133.0354 424.2300 131.0520 424.7121 128.8727 425.1942 127.6620 425.6763 127.5656 426.1584 127.8344 426.6406 128.9938 427.1227 130.1657 427.6048 129.3700 428.0869 126.0358 428.5690 122.5960 429.0511 121.7151 429.5333 123.5405 430.0154 124.0913 430.4975 123.3298 430.9796 121.3276 431.4617 116.6591 431.9438 110.6709 432.4260 107.0092 432.9081 107.6279 433.3902 110.6696 433.8723 111.6942 434.3544 108.6995 434.8365 106.7804 435.3187 107.2056 435.8008 108.0910 436.2829 108.2111 436.7650 107.2851 437.2471 105.2747 437.7292 102.0785 438.2114 97.73793 438.6935 94.52992 439.1756 93.38256 439.6577 92.25063 440.1398 89.77153 440.6219 87.19510 441.1040 86.80374 441.5862 89.54788 442.0683 93.29765 442.5504 93.82550 443.0325 89.64557 443.5146 86.80484 443.9967 87.31490 444.4789 87.99075 444.9610 86.91541 445.4431 84.37248 445.9252 81.97636 446.4073 80.82033 446.8894 80.74756 447.3716 81.49696 447.8537 83.85080 448.3358 84.95418 448.8179 81.98619 449.3000 77.75665 449.7821 75.45790 450.2643 76.05063 450.7464 77.35818 451.2285 77.54602 451.7106 76.81578 452.1927 76.29688 452.6748 76.28072 453.1570 76.32037 453.6391 75.85529 454.1212 75.02380 454.6033 74.44324 455.0854 74.85510 455.5675 75.14549 456.0497 73.97551 456.5318 71.57692 457.0139 69.40414 457.4960 68.13281 457.9781 67.67471 458.4602 67.93045 458.9424 69.10939 459.4245 70.34467 459.9066 72.58002 460.3887 74.17398 460.8708 72.74109 461.3529 68.30005 461.8351 63.61874 462.3172 61.25737 462.7993 61.28825 463.2814 61.72896 463.7635 63.36922 464.2456 64.48779 464.7278 64.82693 465.2099 64.32024 465.6920 62.41716 466.1741 58.98030 466.6562 55.55901 467.1383 55.18254 467.6205 59.44307 468.1026 61.77666 468.5847 60.44574 469.0668 58.49753 469.5489 57.12552 470.0310 56.27727 470.5132 55.49071 470.9953 54.57306 471.4774 53.42258 471.9595 51.58958 472.4416 48.74168 472.9237 46.46654 473.4059 45.86148 473.8880 45.79907 474.3701 45.16255 474.8522 43.79800 475.3343 42.66553 475.8164 42.54076 476.2986 43.13057 476.7807 44.04712 477.2628 45.50496 477.7449 45.67973 478.2270 41.93340 478.7091 35.63989 479.1913 32.60281 479.6734 36.39053 480.1555 39.84131 480.6376 37.94057 481.1197 33.17336 481.6018 31.15506 482.0839 33.83447 482.5660 38.14995 483.0482 39.97719 483.5303 38.78484 484.0124 36.53117 484.4945 31.12813 484.9766 26.69455 485.4587 26.09895 485.9409 28.25665 486.4230 30.47102 486.9051 31.29860 487.3872 30.91238 487.8693 29.53925 488.3514 25.95729 488.8336 23.64433 489.3157 23.62666 489.7978 24.11349 490.2799 24.22694 490.7620 23.78322 491.2441 22.70143 491.7263 20.51872 492.2084 17.63770 492.6905 16.17630 493.1726 16.60034 493.6547 17.34276 494.1368 18.05130 494.6190 18.61049 495.1011 18.71420 495.5832 18.20955 496.0653 18.04803 496.5474 19.72289 497.0295 22.33714 497.5117 22.76685 497.9938 20.08249 498.4759 17.18288 498.9580 16.49417 499.4401 17.69579 499.9222 18.80357 500.4044 20.47533 500.8865 21.23489 501.3686 19.37822 501.8507 16.18509 502.3328 14.38754 502.8149 14.93924 503.2971 16.55768 503.7792 17.46332 504.2613 17.47932 504.7434 17.36537 505.2255 17.54413 505.7076 17.20015 506.1898 14.82381 506.6719 11.75624 507.1540 11.01758 507.6361 14.34047 508.1182 19.60799 508.6003 21.82668 509.0825 20.00470 509.5646 17.78630 510.0467 14.49294 510.5288 11.77100 511.0109 10.85892 511.4930 11.41403 511.9752 12.06190 512.4573 12.21727 512.9394 11.75212 513.4215 10.02936 513.9036 6.757477 514.3857 4.410431 514.8679 4.269562 515.3500 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