#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:43:55 +0300 (Thu, 26 Apr 2018) $ #$Revision: 539 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000089.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_1000089 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 R070760 ; _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 'Inakuraishi mine, Shakotan peninsula, Shiribeshi, Hokkaido Island, Japan' _chemical_formula_sum 'Ag1.041 Mn0.919 Pb3 S12 Sb5.041' _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 90.017 _cell_angle_gamma 90 _cell_length_a 19.3462 _cell_length_b 12.7251 _cell_length_c 8.7472 _cell_volume 2153.406 _exptl_crystal_density_diffrn 5.499 _cod_original_formula_sum 'Pb3 Mn.919 Ag1.041 Sb5.041 S12' _cod_database_code 9015631 _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 R070760.rod _rod_data_source.block 3500000 _rod_database.code 1000089 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 9015631 COD http://www.crystallography.net/cod/9015631.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 150.6358 0.0000000E+00 151.1179 86.56055 151.6000 256.7031 152.0821 499.5723 152.5643 698.0293 153.0464 811.4473 153.5285 891.1230 154.0106 977.7227 154.4927 1086.266 154.9748 1222.291 155.4570 1333.820 155.9391 1370.932 156.4212 1423.455 156.9033 1488.469 157.3854 1556.775 157.8675 1603.533 158.3497 1615.453 158.8318 1602.484 159.3139 1617.666 159.7960 1648.758 160.2781 1658.627 160.7602 1670.945 161.2424 1755.217 161.7245 1895.352 162.2066 1980.280 162.6887 1973.604 163.1708 1916.123 163.6529 1825.064 164.1351 1700.041 164.6172 1577.750 165.0993 1448.748 165.5814 1280.464 166.0635 1102.020 166.5456 937.3115 167.0278 790.2549 167.5099 659.4287 167.9920 547.3301 168.4741 462.1963 168.9562 409.8184 169.4383 366.1768 169.9205 311.6846 170.4026 247.6475 170.8847 168.6377 171.3668 50.42090 171.8489 86.67188 172.3310 182.6807 172.8132 220.3936 173.2953 221.7480 173.7774 201.1602 174.2595 160.5898 174.7416 127.6406 175.2237 126.6973 175.7059 145.5293 176.1880 149.1191 176.6701 132.3984 177.1522 115.9609 177.6343 120.4219 178.1164 143.3574 178.5986 159.6484 179.0807 154.4043 179.5628 133.4707 180.0449 60.85938 180.5270 163.6328 181.0091 379.5273 181.4913 458.0977 181.9734 368.8730 182.4555 224.2500 182.9376 225.5801 183.4197 479.1895 183.9018 670.1152 184.3840 735.8555 184.8661 750.8223 185.3482 768.2168 185.8303 810.2168 186.3124 878.3750 186.7945 981.1875 187.2767 1167.674 187.7588 1327.555 188.2409 1448.295 188.7230 1540.619 189.2051 1612.783 189.6872 1669.379 190.1694 1714.111 190.6515 1767.943 191.1336 1853.438 191.6157 1923.012 192.0978 1973.740 192.5799 2002.039 193.0621 2002.771 193.5442 1972.756 194.0263 1912.826 194.5084 1825.928 194.9905 1724.012 195.4726 1591.904 195.9548 1401.168 196.4369 1170.158 196.9190 954.5938 197.4011 796.2812 197.8832 690.1934 198.3653 553.3809 198.8475 356.1094 199.3296 157.5684 199.8117 21.23633 200.2938 176.3652 200.7759 291.2910 201.2580 347.0605 201.7402 344.0234 202.2223 333.3750 202.7044 324.3105 203.1865 303.0059 203.6686 258.1934 204.1507 188.7891 204.6329 98.75977 205.1150 5.837891 205.5971 129.0000 206.0792 287.4512 206.5613 481.6484 207.0434 713.8809 207.5256 995.2637 208.0077 1333.826 208.4898 1720.869 208.9719 2096.201 209.4540 2463.643 209.9361 2833.232 210.4183 3199.854 210.9004 3571.768 211.3825 3971.912 211.8646 4414.096 212.3467 4859.365 212.8288 5268.832 213.3110 5656.533 213.7931 6061.754 214.2752 6515.938 214.7573 7006.514 215.2394 7472.662 215.7215 7915.773 216.2037 8328.961 216.6858 8702.568 217.1679 9047.920 217.6500 9394.035 218.1321 9774.332 218.6142 10182.85 219.0964 10549.76 219.5785 10856.08 220.0606 11136.54 220.5427 11416.04 221.0248 11688.07 221.5069 11929.59 221.9891 12111.29 222.4712 12230.09 222.9533 12363.79 223.4354 12549.91 223.9175 12717.14 224.3996 12833.27 224.8818 12903.09 225.3639 12951.35 225.8460 12993.35 226.3281 13024.42 226.8102 13084.48 227.2923 13216.61 227.7745 13341.37 228.2566 13424.45 228.7387 13465.86 229.2208 13484.03 229.7029 13494.91 230.1850 13499.97 230.6672 13508.64 231.1493 13550.87 231.6314 13577.61 232.1135 13581.27 232.5956 13552.21 233.0777 13469.78 233.5599 13306.18 234.0420 13041.06 234.5241 12768.81 235.0062 12494.23 235.4883 12209.94 235.9704 11919.91 236.4526 11620.57 236.9347 11299.15 237.4168 10936.91 237.8989 10511.64 238.3810 10126.22 238.8631 9792.773 239.3453 9477.457 239.8274 9159.031 240.3095 8836.088 240.7916 8528.676 241.2737 8259.857 241.7558 8043.760 242.2380 7824.727 242.7201 7575.684 243.2022 7344.420 243.6843 7155.107 244.1664 7013.627 244.6485 6913.957 245.1307 6850.393 245.6128 6829.371 246.0949 6834.426 246.5770 6890.871 247.0591 6953.217 247.5412 6976.324 248.0234 6960.039 248.5055 6951.129 248.9876 7001.137 249.4697 7122.285 249.9518 7280.707 250.4339 7485.775 250.9161 7718.957 251.3982 7967.393 251.8803 8227.986 252.3624 8509.793 252.8445 8817.451 253.3266 9150.998 253.8088 9528.785 254.2909 9948.158 254.7730 10409.87 255.2551 10915.76 255.7372 11464.86 256.2193 12055.75 256.7014 12689.68 257.1836 13374.25 257.6657 14079.09 258.1478 14817.20 258.6299 15562.05 259.1120 16303.34 259.5941 17038.41 260.0763 17749.72 260.5584 18420.81 261.0405 19046.06 261.5226 19639.24 262.0047 20216.51 262.4868 20749.25 262.9690 21210.94 263.4511 21599.14 263.9332 21931.04 264.4153 22213.58 264.8974 22442.14 265.3795 22653.04 265.8617 22856.62 266.3438 23037.37 266.8259 23187.06 267.3080 23304.19 267.7901 23379.00 268.2722 23395.33 268.7544 23350.37 269.2365 23304.27 269.7186 23290.41 270.2007 23253.34 270.6828 23118.54 271.1649 22889.09 271.6471 22684.29 272.1292 22589.00 272.6113 22607.58 273.0934 22663.80 273.5755 22730.30 274.0576 22853.88 274.5398 23081.87 275.0219 23409.98 275.5040 23783.62 275.9861 24162.67 276.4682 24561.15 276.9503 25010.52 277.4325 25616.57 277.9146 26191.12 278.3967 26603.16 278.8788 26861.80 279.3609 27045.96 279.8430 27202.74 280.3252 27313.18 280.8073 27340.05 281.2894 27215.06 281.7715 27070.22 282.2536 26961.70 282.7357 26893.84 283.2179 26895.26 283.7000 26987.47 284.1821 27162.16 284.6642 27368.51 285.1463 27582.61 285.6284 27854.48 286.1106 28247.42 286.5927 28733.90 287.0748 29200.04 287.5569 29606.32 288.0390 29951.13 288.5211 30250.21 289.0033 30534.40 289.4854 30728.88 289.9675 30809.77 290.4496 30774.71 290.9317 30629.92 291.4138 30403.02 291.8960 30025.08 292.3781 29362.33 292.8602 28393.02 293.3423 27266.02 293.8244 26000.63 294.3065 24620.67 294.7887 23168.93 295.2708 21648.20 295.7529 20083.76 296.2350 18531.17 296.7171 16976.42 297.1992 15465.02 297.6814 13993.64 298.1635 12577.67 298.6456 11237.42 299.1277 9970.811 299.6098 8800.758 300.0919 7770.756 300.5741 6882.000 301.0562 6056.248 301.5383 5285.330 302.0204 4570.363 302.5025 3923.018 302.9846 3346.730 303.4668 2826.568 303.9489 2340.557 304.4310 1888.806 304.9131 1496.856 305.3952 1178.043 305.8773 915.7773 306.3595 695.2461 306.8416 513.5039 307.3237 375.1621 307.8058 285.5391 308.2879 247.4258 308.7701 237.4541 309.2522 260.1357 309.7343 310.4160 310.2164 388.1426 310.6985 491.6777 311.1806 614.9658 311.6628 764.8564 312.1449 936.3232 312.6270 1079.324 313.1091 1173.293 313.5912 1254.803 314.0733 1352.911 314.5555 1460.133 315.0376 1538.540 315.5197 1554.513 316.0018 1521.654 316.4839 1530.911 316.9660 1599.850 317.4482 1683.615 317.9303 1761.725 318.4124 1842.003 318.8945 1943.434 319.3766 2075.310 319.8587 2232.344 320.3409 2400.087 320.8230 2567.982 321.3051 2757.213 321.7872 2989.367 322.2693 3241.810 322.7514 3480.456 323.2336 3692.165 323.7157 3887.449 324.1978 4088.786 324.6799 4303.512 325.1620 4511.531 325.6441 4715.944 326.1263 4908.367 326.6084 5071.807 327.0905 5204.729 327.5726 5335.004 328.0547 5503.090 328.5368 5737.902 329.0190 5935.702 329.5011 6056.057 329.9832 6169.510 330.4653 6319.323 330.9474 6513.714 331.4295 6742.401 331.9117 6988.554 332.3938 7237.606 332.8759 7600.453 333.3580 8077.545 333.8401 8642.463 334.3222 9301.008 334.8044 10038.04 335.2865 10822.32 335.7686 11625.06 336.2507 12447.21 336.7328 13371.45 337.2149 14409.60 337.6971 15528.34 338.1792 16692.82 338.6613 17941.06 339.1434 19331.10 339.6255 20906.34 340.1076 22644.76 340.5898 24465.46 341.0719 26408.43 341.5540 28392.92 342.0361 30515.15 342.5182 32623.37 343.0003 34608.08 343.4825 36422.39 343.9646 37985.84 344.4467 39171.32 344.9288 40091.87 345.4109 40330.70 345.8930 39854.50 346.3752 38838.29 346.8573 37310.07 347.3394 35322.79 347.8215 33033.64 348.3036 30605.42 348.7857 27970.15 349.2679 25433.24 349.7500 22952.40 350.2321 20585.33 350.7142 18341.78 351.1963 16230.55 351.6784 14280.60 352.1606 12526.07 352.6427 10968.72 353.1248 9570.308 353.6069 8367.789 354.0890 7310.286 354.5711 6380.291 355.0533 5564.151 355.5354 4833.841 356.0175 4183.592 356.4996 3606.709 356.9817 3089.733 357.4638 2628.772 357.9460 2233.707 358.4281 1935.905 358.9102 1691.698 359.3923 1454.507 359.8744 1206.547 360.3565 967.2876 360.8387 763.1343 361.3208 593.8364 361.8029 453.6211 362.2850 357.1450 362.7671 279.3638 363.2492 195.5615 363.7314 101.1201 364.2135 17.73584 364.6956 47.48193 365.1777 91.01465 365.6598 89.46045 366.1419 13.88330 366.6241 73.74951 367.1062 118.7861 367.5883 123.8340 368.0704 88.06250 368.5525 17.41992 369.0346 155.4346 369.5168 264.0381 369.9989 335.6821 370.4810 383.8135 370.9631 412.2983 371.4452 424.9014 371.9273 442.5823 372.4095 482.9673 372.8916 518.7019 373.3737 523.7715 373.8558 500.6311 374.3379 472.5715 374.8200 451.9136 375.3022 438.0652 375.7843 427.5251 376.2664 426.2310 376.7485 421.4470 377.2306 407.5981 377.7127 387.1619 378.1949 363.6870 378.6770 338.2222 379.1591 312.6099 379.6412 290.1130 380.1233 273.2163 380.6054 254.9426 381.0876 233.5095 381.5697 211.3787 382.0518 193.3774 382.5339 179.4204 383.0160 160.2888 383.4981 123.1680 383.9803 60.35156 384.4624 12.86743 384.9445 10.99854 385.4266 30.07227 385.9087 51.26123 386.3908 75.42847 386.8730 102.2244 387.3551 131.5203 387.8372 162.9854 388.3193 193.4531 388.8014 220.2495 389.2835 249.3926 389.7657 284.0083 390.2478 320.8950 390.7299 355.8212 391.2120 386.9017 391.6941 416.1431 392.1762 447.4623 392.6584 481.5352 393.1405 516.5217 393.6226 557.0066 394.1047 594.8625 394.5868 622.4312 395.0689 639.3523 395.5511 654.5470 396.0332 676.3208 396.5153 704.7773 396.9974 735.8025 397.4795 772.2732 397.9616 807.5837 398.4438 837.9537 398.9259 864.2767 399.4080 889.1295 399.8901 912.4712 400.3722 935.6733 400.8543 962.0731 401.3365 992.3123 401.8186 1023.263 402.3007 1053.074 402.7828 1082.628 403.2649 1114.074 403.7470 1150.844 404.2292 1184.488 404.7113 1204.771 405.1934 1214.353 405.6755 1227.797 406.1576 1250.666 406.6397 1279.397 407.1219 1308.566 407.6040 1338.346 408.0861 1367.535 408.5682 1396.990 409.0503 1425.165 409.5324 1447.933 410.0146 1464.575 410.4967 1482.976 410.9788 1511.790 411.4609 1552.799 411.9430 1590.742 412.4251 1631.722 412.9073 1664.386 413.3894 1676.134 413.8715 1673.247 414.3536 1674.511 414.8357 1691.924 415.3178 1721.728 415.8000 1746.019 416.2821 1750.609 416.7642 1767.016 417.2463 1811.821 417.7284 1863.697 418.2105 1898.264 418.6927 1908.703 419.1748 1908.754 419.6569 1919.381 420.1390 1945.243 420.6211 1969.139 421.1032 1992.300 421.5854 2012.532 422.0675 2026.305 422.5496 2033.891 423.0317 2041.168 423.5138 2054.254 423.9959 2074.899 424.4781 2097.176 424.9602 2122.403 425.4423 2143.392 425.9244 2156.512 426.4065 2161.989 426.8886 2157.934 427.3708 2145.015 427.8529 2127.638 428.3350 2110.612 428.8171 2095.218 429.2992 2081.674 429.7813 2075.234 430.2635 2063.135 430.7456 2029.864 431.2277 1975.968 431.7098 1929.691 432.1919 1910.148 432.6740 1905.090 433.1562 1894.340 433.6383 1875.416 434.1204 1846.984 434.6025 1804.029 435.0846 1749.040 435.5667 1706.624 436.0489 1689.215 436.5310 1674.495 437.0131 1648.648 437.4952 1614.329 437.9773 1579.789 438.4594 1548.825 438.9416 1522.114 439.4237 1501.170 439.9058 1492.768 440.3879 1479.768 440.8700 1460.966 441.3521 1439.188 441.8343 1416.692 442.3164 1393.116 442.7985 1368.440 443.2806 1343.132 443.7627 1316.326 444.2448 1296.594 444.7270 1288.592 445.2091 1283.313 445.6912 1282.112 446.1733 1280.985 446.6554 1272.696 447.1375 1252.330 447.6197 1225.682 448.1018 1207.304 448.5839 1201.173 449.0660 1191.746 449.5481 1166.656 450.0302 1141.909 450.5124 1131.307 450.9945 1137.102 451.4766 1146.438 451.9587 1150.433 452.4408 1148.999 452.9229 1141.749 453.4051 1126.028 453.8872 1110.523 454.3693 1104.542 454.8514 1105.031 455.3335 1103.144 455.8156 1097.989 456.2978 1088.690 456.7799 1071.266 457.2620 1047.472 457.7441 1027.798 458.2262 1017.766 458.7083 1014.544 459.1904 1010.566 459.6725 1004.020 460.1547 1000.183 460.6368 1001.280 461.1189 1004.877 461.6010 1010.471 462.0831 1017.033 462.5652 1019.212 463.0474 1010.211 463.5295 987.8707 464.0116 973.5316 464.4937 976.3290 464.9758 977.0864 465.4579 966.2103 465.9401 949.8440 466.4222 939.4089 466.9043 941.1749 467.3864 948.5267 467.8685 945.9561 468.3506 929.4970 468.8328 914.4745 469.3149 899.5485 469.7970 889.9384 470.2791 895.1511 470.7612 913.2288 471.2433 924.0145 471.7255 906.2762 472.2076 868.3840 472.6897 840.7524 473.1718 826.5448 473.6539 817.3017 474.1360 811.5222 474.6182 806.3813 475.1003 795.2118 475.5824 770.8054 476.0645 748.1042 476.5466 740.1184 477.0287 742.3819 477.5109 741.7926 477.9930 733.9860 478.4751 721.4941 478.9572 708.4194 479.4393 696.0079 479.9214 678.3981 480.4036 645.8762 480.8857 615.4536 481.3678 602.1419 481.8499 603.4359 482.3320 604.8812 482.8141 595.4468 483.2963 577.7416 483.7784 569.7018 484.2605 587.6377 484.7426 593.3022 485.2247 573.8793 485.7068 544.7843 486.1890 520.4145 486.6711 504.5895 487.1532 491.9410 487.6353 474.2848 488.1174 451.0277 488.5995 439.0626 489.0817 449.3298 489.5638 457.2797 490.0459 444.9535 490.5280 420.5760 491.0101 403.6104 491.4922 406.4168 491.9744 414.8141 492.4565 412.3768 492.9386 399.5594 493.4207 382.7162 493.9028 361.9390 494.3849 341.3420 494.8671 328.9223 495.3492 325.8117 495.8313 322.6315 496.3134 315.6068 496.7955 308.5864 497.2776 305.8153 497.7598 307.4182 498.2419 310.9415 498.7240 315.1869 499.2061 319.5847 499.6882 317.3225 500.1703 304.2567 500.6525 289.4622 501.1346 271.1414 501.6167 253.4856 502.0988 240.5341 502.5809 233.3353 503.0630 230.5623 503.5452 231.8555 504.0273 238.4871 504.5094 240.0290 504.9915 232.6426 505.4736 223.8058 505.9557 214.7922 506.4379 207.1814 506.9200 204.9966 507.4021 215.1445 507.8842 225.4823 508.3663 214.4316 508.8484 183.1622 509.3306 161.0168 509.8127 161.5267 510.2948 171.7560 510.7769 171.7902 511.2590 160.5933 511.7411 149.9285 512.2233 144.8617 512.7054 140.3661 513.1875 128.3119 513.6696 110.1335 514.1517 98.17603 514.6339 101.9711 515.1160 118.8016 515.5981 131.2686 516.0802 135.9943 516.5623 140.1023 517.0444 146.0757 517.5266 150.8370 518.0087 150.8461 518.4908 145.7804 518.9729 137.9752 519.4550 128.8823 519.9371 118.5538 520.4193 112.8662 520.9014 114.3453 521.3835 117.0896 521.8656 120.6349 522.3477 123.6470 522.8298 122.9160 523.3120 115.8458 523.7941 109.2051 524.2762 111.7346 524.7583 120.7848 525.2404 122.7113 525.7225 112.3138 526.2047 98.98169 526.6868 94.92261 527.1689 100.7854 527.6510 100.8878 528.1331 83.42346 528.6152 68.68970 529.0974 73.65039 529.5795 92.73108 530.0616 109.7151 530.5437 116.3665 531.0258 115.2544 531.5079 113.3551 531.9901 113.8536 532.4722 108.7463 532.9543 88.64258 533.4364 70.91370 533.9185 70.50220 534.4006 84.11792 534.8828 94.70801 535.3649 89.02295 535.8470 71.96619 536.3291 58.08167 536.8112 45.73828 537.2933 41.90771 537.7755 59.62683 538.2576 80.92444 538.7397 81.32910 539.2218 55.07568 539.7039 35.73889 540.1860 48.50354 540.6682 75.51746 541.1503 88.82166 541.6324 85.44043 542.1145 77.24817 542.5966 72.26672 543.0787 70.08533 543.5609 67.66809 544.0430 64.20142 544.5251 61.26282 545.0072 60.08435 545.4893 59.41370 545.9714 58.76599 546.4536 57.67078 546.9357 54.20410 547.4178 44.87146 547.8999 29.60132 548.3820 20.27393 548.8641 18.10315 549.3463 18.66614 549.8284 24.67908 550.3105 31.14624 550.7926 29.65259 551.2747 15.80200 551.7568 0.5377200 552.2390 6.704224 552.7211 6.715088 553.2032 0.5308840 553.6853 13.93896 554.1674 26.12225 554.6495 24.33899 555.1317 8.746094 555.6138 1.237000 556.0959 4.303101 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