#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 14:07:11 +0300 (Thu, 26 Apr 2018) $ #$Revision: 646 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000180.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_1000180 loop_ _publ_author_name 'Bindi, L.' 'Menchetti, S.' _publ_section_title ; Fast ion conduction character and ionic phase-transition in silver sulfosalts: The case of fettelite [Ag6As2S7][Ag10HgAs2S8] Note: T = 400 K ; _journal_name_full 'American Mineralogist' _journal_page_first 792 _journal_page_last 796 _journal_paper_doi 10.2138/am.2011.3736 _journal_volume 96 _journal_year 2011 _chemical_compound_source R110042 _chemical_formula_sum 'Ag17.742 As3.552 S15 Sb0.448' _chemical_name_mineral Fettelite _space_group_IT_number 164 _symmetry_space_group_name_Hall '-P 3 2"' _symmetry_space_group_name_H-M 'P -3 m 1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 7.5984 _cell_length_b 7.5984 _cell_length_c 15.557 _cell_volume 777.859 _exptl_crystal_density_diffrn 5.797 _cod_original_formula_sum 'Ag17.742 As3.552 Sb.448 S15' _cod_database_code 9016074 _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 R110042.rod _rod_data_source.block 3500000 _rod_database.code 1000180 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 9016074 COD http://www.crystallography.net/cod/9016074.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 169.2243 0.0000000E+00 169.7064 9.6439999E-03 170.1885 1.055878 170.6707 2.512787 171.1528 2.944763 171.6349 2.467590 172.1170 2.154633 172.5991 2.251038 173.0812 3.125793 173.5634 3.275330 174.0455 1.317261 174.5276 0.3835140 175.0097 0.5773620 175.4918 0.5841980 175.9739 2.001007 176.4561 2.420715 176.9382 1.464691 177.4203 0.7664180 177.9024 0.2897950 178.3845 5.6334998E-02 178.8666 0.1167600 179.3488 0.4584350 179.8309 1.014954 180.3130 1.720825 180.7951 2.715942 181.2772 3.524139 181.7593 4.293671 182.2415 4.817657 182.7236 4.898987 183.2057 4.506500 183.6878 3.789581 184.1699 2.914612 184.6520 1.448151 185.1342 0.8067320 185.6163 1.550659 186.0984 2.911163 186.5805 4.189880 187.0626 5.199890 187.5447 5.894806 188.0269 6.099121 188.5090 5.741272 188.9911 5.323822 189.4732 4.465179 189.9553 3.688965 190.4374 4.181641 190.9196 6.685760 191.4017 9.668182 191.8838 10.88089 192.3659 10.32266 192.8480 9.339630 193.3301 8.095642 193.8123 6.810852 194.2944 6.434082 194.7765 7.825226 195.2586 9.443451 195.7407 9.581970 196.2228 8.218506 196.7050 6.692444 197.1871 5.820404 197.6692 5.595856 198.1513 5.910675 198.6334 7.445496 199.1155 8.921997 199.5977 9.314697 200.0798 8.616150 200.5619 7.792542 201.0440 7.899719 201.5261 9.128632 202.0082 10.01291 202.4904 10.31470 202.9725 10.25220 203.4546 9.600830 203.9367 8.471191 204.4188 7.526428 204.9009 7.779327 205.3831 9.848206 205.8652 11.20352 206.3473 11.20685 206.8294 10.95346 207.3115 11.03470 207.7936 11.55695 208.2758 12.27664 208.7579 12.90628 209.2400 13.61728 209.7221 13.79440 210.2042 12.42819 210.6863 11.30957 211.1685 11.83383 211.6506 14.18811 212.1327 17.41287 212.6148 20.26935 213.0969 23.34589 213.5790 24.40686 214.0612 21.89502 214.5433 18.49588 215.0254 16.29218 215.5075 15.78897 215.9896 16.06256 216.4717 15.75330 216.9539 14.12064 217.4360 13.85205 217.9181 16.47281 218.4002 19.73596 218.8823 21.23074 219.3644 20.36441 219.8466 18.68964 220.3287 18.32840 220.8108 19.53210 221.2929 20.53809 221.7750 21.01669 222.2571 21.21356 222.7393 21.39725 223.2214 21.61368 223.7035 21.88098 224.1856 22.16058 224.6677 22.44559 225.1498 23.04126 225.6320 24.29507 226.1141 25.84348 226.5962 27.10654 227.0783 27.87631 227.5604 28.37790 228.0425 28.87024 228.5247 29.29141 229.0068 29.17566 229.4889 27.68362 229.9710 25.58646 230.4531 24.77289 230.9352 25.92511 231.4174 27.33670 231.8995 27.58484 232.3816 27.01816 232.8637 26.57886 233.3458 26.90948 233.8279 27.73740 234.3101 28.15021 234.7922 27.86655 235.2743 27.60562 235.7564 27.46255 236.2385 27.62134 236.7206 28.56284 237.2028 31.31677 237.6849 35.12079 238.1670 36.48322 238.6491 33.52206 239.1312 30.84894 239.6133 30.57162 240.0955 31.79721 240.5776 33.02698 241.0597 33.45007 241.5418 33.16135 242.0239 32.51044 242.5060 30.61389 242.9882 29.64005 243.4703 30.93445 243.9524 33.30685 244.4345 34.99396 244.9166 34.89709 245.3987 33.43842 245.8809 32.69299 246.3630 34.02100 246.8451 34.24512 247.3272 31.64456 247.8093 27.92307 248.2914 25.30743 248.7736 25.03357 249.2557 26.59857 249.7378 27.99493 250.2199 29.55688 250.7020 30.46091 251.1841 29.94473 251.6663 28.94739 252.1484 28.65720 252.6305 29.65576 253.1126 31.48907 253.5947 32.73877 254.0768 33.08945 254.5590 33.16394 255.0411 32.79312 255.5232 32.23572 256.0053 31.74942 256.4874 31.44986 256.9695 31.30457 257.4517 31.27588 257.9338 31.91080 258.4159 31.91016 258.8980 30.63736 259.3801 28.94547 259.8622 27.46027 260.3444 26.41849 260.8265 25.97635 261.3086 26.51001 261.7907 29.24072 262.2728 31.01605 262.7549 30.87265 263.2371 30.20071 263.7192 30.28421 264.2013 31.45377 264.6834 33.34973 265.1655 35.59131 265.6476 38.81754 266.1298 40.68878 266.6119 40.48248 267.0940 39.32816 267.5761 38.00262 268.0582 36.73813 268.5403 35.74167 269.0225 35.44324 269.5046 36.15204 269.9867 35.91870 270.4688 32.96466 270.9509 29.96255 271.4330 29.89709 271.9152 32.97897 272.3973 36.20670 272.8794 36.56860 273.3615 33.79077 273.8436 31.90643 274.3257 32.05328 274.8079 32.35480 275.2900 30.60461 275.7721 26.91748 276.2542 24.52078 276.7363 26.66086 277.2184 32.59998 277.7006 35.35626 278.1827 32.31732 278.6648 28.13138 279.1469 25.86981 279.6290 25.42661 280.1111 25.48059 280.5933 25.39954 281.0754 25.18741 281.5575 24.88995 282.0396 24.19467 282.5217 23.80676 283.0038 24.55737 283.4860 26.17303 283.9681 27.19327 284.4502 26.84747 284.9323 25.55838 285.4144 24.20984 285.8965 22.51068 286.3787 21.42139 286.8608 21.86981 287.3429 23.45496 287.8250 24.72150 288.3071 25.16177 288.7892 25.14453 289.2714 25.24002 289.7535 25.48401 290.2356 25.60629 290.7177 25.39615 291.1998 24.97147 291.6819 24.61252 292.1641 24.36612 292.6462 24.22888 293.1283 24.16980 293.6104 24.18597 294.0925 24.35968 294.5746 24.80475 295.0568 25.41769 295.5389 25.99622 296.0210 26.51160 296.5031 27.00928 296.9852 27.68848 297.4673 28.41898 297.9495 28.75418 298.4316 28.11209 298.9137 27.16147 299.3958 27.12265 299.8779 28.26654 300.3600 29.11227 300.8422 28.07452 301.3243 26.14713 301.8064 25.14105 302.2885 26.27751 302.7706 27.67369 303.2527 26.74916 303.7349 23.30045 304.2170 20.41882 304.6991 20.40392 305.1812 21.39029 305.6633 20.69916 306.1454 17.47719 306.6276 13.88586 307.1097 11.78859 307.5918 11.12303 308.0739 10.75031 308.5560 10.41243 309.0381 10.15790 309.5203 10.27887 310.0024 10.87758 310.4845 10.80484 310.9666 8.566086 311.4487 4.735764 311.9308 2.314758 312.4130 2.507278 312.8951 3.397675 313.3772 3.220917 313.8593 2.111282 314.3414 0.9037480 314.8235 0.3856660 315.3057 1.457108 315.7878 1.289337 316.2699 0.7650910 316.7520 2.704712 317.2341 2.896637 317.7162 1.880890 318.1984 0.7006840 318.6805 0.3450470 319.1626 1.304199 319.6447 2.341904 320.1268 3.540817 320.6089 4.403625 321.0911 4.537521 321.5732 4.175110 322.0553 3.528549 322.5374 2.447250 323.0195 1.407364 323.5016 1.087463 323.9838 1.496902 324.4659 1.496338 324.9480 3.8449999E-03 325.4301 1.628128 325.9122 1.490128 326.3943 0.8967900 326.8765 3.066589 327.3586 3.008423 327.8407 1.086609 328.3228 0.7843170 328.8049 2.442764 329.2870 3.502869 329.7692 3.261749 330.2513 1.859741 330.7334 0.9398650 331.2155 1.643555 331.6976 3.367966 332.1797 4.840866 332.6619 6.058304 333.1440 6.658813 333.6261 5.868851 334.1082 4.199356 334.5903 2.810928 335.0724 2.149002 335.5546 1.914795 336.0367 1.739578 336.5188 1.607193 337.0009 1.630844 337.4830 1.726303 337.9651 2.107468 338.4473 3.256683 338.9294 5.834793 339.4115 8.250961 339.8936 8.938354 340.3757 8.100555 340.8578 7.482849 341.3400 7.864822 341.8221 8.659225 342.3042 8.918549 342.7863 8.558563 343.2684 8.178879 343.7505 7.767532 344.2327 7.563049 344.7148 8.444672 345.1969 11.01981 345.6790 13.55602 346.1611 13.41531 346.6432 11.06711 347.1254 9.576477 347.6075 10.34450 348.0896 12.10333 348.5717 13.34367 349.0538 13.93370 349.5359 14.37282 350.0181 15.11137 350.5002 15.99573 350.9823 16.39983 351.4644 15.78200 351.9465 15.11205 352.4286 15.00111 352.9108 15.39838 353.3929 16.01813 353.8750 16.66705 354.3571 17.51221 354.8392 19.07988 355.3214 21.90111 355.8035 24.20003 356.2856 24.63875 356.7677 24.25046 357.2498 25.05742 357.7319 27.75629 358.2141 31.04308 358.6962 33.05528 359.1783 33.52797 359.6604 34.44887 360.1425 36.62210 360.6246 38.99242 361.1068 40.25800 361.5889 40.41371 362.0710 40.87914 362.5531 42.87230 363.0352 46.42836 363.5173 50.03392 363.9995 54.24680 364.4816 57.97458 364.9637 60.06517 365.4458 61.35757 365.9279 63.75584 366.4100 68.34254 366.8922 74.20598 367.3743 78.44051 367.8564 79.94733 368.3385 81.51695 368.8206 83.10817 369.3027 85.09482 369.7849 88.26901 370.2670 92.77284 370.7491 97.39465 371.2312 100.2634 371.7133 100.1348 372.1954 102.1191 372.6776 107.9496 373.1597 114.1534 373.6418 119.1892 374.1239 122.8727 374.6060 125.0870 375.0881 125.6180 375.5703 124.5376 376.0524 124.5807 376.5345 127.8972 377.0166 129.9120 377.4987 129.1043 377.9808 126.2760 378.4630 122.4096 378.9451 117.9901 379.4272 113.1037 379.9093 107.9817 380.3914 103.3766 380.8735 97.14178 381.3557 87.22939 381.8378 77.13049 382.3199 69.50259 382.8020 64.71892 383.2841 61.30475 383.7662 57.74803 384.2484 53.93323 384.7305 49.73267 385.2126 44.79019 385.6947 40.18016 386.1768 36.01985 386.6589 32.35651 387.1411 29.36449 387.6232 27.21155 388.1053 25.66649 388.5874 23.91571 389.0695 21.67238 389.5516 19.89995 390.0338 19.04465 390.5159 18.53835 390.9980 18.03069 391.4801 17.40393 391.9622 16.36038 392.4443 14.13016 392.9265 10.48146 393.4086 8.036636 393.8907 8.071167 394.3728 8.554581 394.8549 8.603485 395.3370 8.138596 395.8192 7.102051 396.3013 4.611252 396.7834 1.541794 397.2655 1.213196 397.7476 4.754532 398.2297 8.070679 398.7119 8.822540 399.1940 8.132462 399.6761 7.258881 400.1582 6.467087 400.6403 5.671738 401.1224 4.635849 401.6046 3.386887 402.0867 2.623306 402.5688 2.667465 403.0509 3.204056 403.5330 3.900696 404.0151 4.764664 404.4973 5.459442 404.9794 5.861282 405.4615 5.995865 405.9436 5.799423 406.4257 5.219940 406.9078 4.654282 407.3900 4.485748 407.8721 4.630524 408.3542 4.616150 408.8363 4.389694 409.3184 4.002396 409.8005 3.116043 410.2827 2.024933 410.7648 1.956131 411.2469 3.736481 411.7290 6.271683 412.2111 6.926605 412.6932 5.035400 413.1754 3.278870 413.6575 1.835526 414.1396 0.8922730 414.6217 0.7833560 415.1038 1.517014 415.5859 2.615280 416.0681 3.666214 416.5502 4.689392 417.0323 5.330338 417.5144 5.256454 417.9965 5.212036 418.4786 5.738220 418.9608 6.489288 419.4429 6.734116 419.9250 6.078690 420.4071 4.838394 420.8892 3.918320 421.3713 4.124313 421.8535 3.383514 422.3356 0.6763760 422.8177 2.266190 423.2998 4.445801 423.7819 5.556091 424.2640 5.341034 424.7462 3.143997 425.2283 1.287308 425.7104 4.060654 426.1925 3.559341 426.6746 3.052902 427.1567 3.694946 427.6389 4.893539 428.1210 5.641479 428.6031 5.429810 429.0852 4.656052 429.5673 4.050339 430.0494 3.546783 430.5316 3.440369 431.0137 4.202240 431.4958 5.128326 431.9779 6.165558 432.4600 7.163422 432.9421 7.164230 433.4243 4.238464 433.9064 0.5465390 434.3885 2.154648 434.8706 0.8739470 435.3527 4.206085 435.8348 4.701706 436.3170 3.677124 436.7991 3.348984 437.2812 4.803177 437.7633 6.336761 438.2454 5.950439 438.7275 3.978363 439.2097 2.866760 439.6918 3.755539 440.1739 5.424591 440.6560 5.918472 441.1381 5.135040 441.6202 4.735077 442.1024 5.826431 442.5845 7.190582 443.0666 7.307251 443.5487 6.090652 444.0308 4.577972 444.5129 3.476303 444.9951 2.769562 445.4772 2.191147 445.9593 1.286240 446.4414 1.008881 446.9235 2.427078 447.4056 4.431641 447.8878 5.104507 448.3699 3.824142 448.8520 1.972321 449.3341 1.724640 449.8162 3.892181 450.2983 5.408966 450.7805 6.065002 451.2626 6.366425 451.7447 6.498489 452.2268 6.508987 452.7089 6.395065 453.1910 6.136292 453.6732 5.785248 454.1553 5.571091 454.6374 5.533783 455.1195 5.572189 455.6016 5.734238 456.0837 5.945038 456.5659 6.220261 457.0480 6.519806 457.5301 6.619598 458.0122 5.854858 458.4943 4.266876 458.9764 4.447327 459.4586 8.037918 459.9407 11.03871 460.4228 10.98500 460.9049 9.060638 461.3870 7.308868 461.8691 6.399994 462.3513 6.019821 462.8334 5.970200 463.3155 6.230820 463.7976 6.291153 464.2797 6.007660 464.7618 5.469528 465.2440 4.415131 465.7261 2.758698 466.2082 2.000320 466.6903 3.275146 467.1724 5.368698 467.6545 7.012299 468.1367 8.070709 468.6188 8.431717 469.1009 7.815125 469.5830 6.495514 470.0651 5.831818 470.5472 6.571823 471.0294 6.912476 471.5115 6.019211 471.9936 4.633331 472.4757 3.546402 472.9578 3.011993 473.4399 3.153198 473.9221 4.293015 474.4042 6.826355 474.8863 8.014542 475.3684 6.958221 475.8505 5.685455 476.3326 4.599503 476.8148 3.882919 477.2969 3.792236 477.7790 4.463486 478.2611 5.577606 478.7432 6.647781 479.2253 8.106979 479.7075 8.273315 480.1896 4.768936 480.6717 1.569550 481.1538 1.682175 481.6359 4.551895 482.1180 7.001617 482.6002 6.583969 483.0823 4.474792 483.5644 3.756393 484.0465 4.911972 484.5286 5.610382 485.0107 4.074158 485.4929 1.928513 485.9750 1.114883 486.4571 1.972443 486.9392 3.408051 487.4213 5.445343 487.9034 7.492905 488.3856 8.012817 488.8677 6.637619 489.3498 4.773499 489.8319 3.502197 490.3140 2.826553 490.7961 2.330200 491.2783 2.076370 491.7604 2.091537 492.2425 2.375549 492.7246 2.872696 493.2067 2.883972 493.6888 2.307602 494.1710 1.613525 494.6531 1.566696 495.1352 2.441895 495.6173 3.150513 496.0994 4.076477 496.5815 4.479019 497.0637 3.417938 497.5458 1.604599 498.0279 0.5715640 498.5100 1.223343 498.9921 2.907272 499.4742 4.076324 499.9564 4.779236 500.4385 4.822281 500.9206 3.121521 501.4027 1.592331 501.8848 1.787369 502.3669 3.460999 502.8491 4.867081 503.3312 4.414948 503.8133 2.916214 504.2954 2.771362 504.7775 4.317749 505.2596 5.664749 505.7418 5.799164 506.2239 5.276535 506.7060 4.844986 507.1881 4.498032 507.6702 4.479874 508.1523 5.432419 508.6345 6.610474 509.1166 6.557327 509.5987 5.052902 510.0808 3.414871 510.5629 2.686203 511.0450 2.812180 511.5272 2.985321 512.0093 3.694473 512.4914 3.879272 512.9735 2.565933 513.4556 0.8217010 513.9377 0.1096040 514.4199 0.8969420 514.9020 2.264038 515.3841 3.320007 515.8662 4.153732 516.3483 4.541702 516.8304 3.900238 517.3126 3.430313 517.7947 3.610306 518.2768 4.129532 518.7589 4.569977 519.2410 4.775406 519.7231 4.715775 520.2053 4.354156 520.6874 3.715103 521.1695 2.653091 521.6516 0.5476230 522.1337 1.094971 522.6158 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549.6144 3.191956 550.0965 1.878433 550.5786 1.024887 551.0607 3.747787 551.5428 4.882172 552.0250 4.463928 552.5071 3.556854 552.9892 2.697311 553.4713 1.998611 553.9534 1.825180 554.4355 2.240631 554.9177 2.871399 555.3998 3.575562 555.8819 4.428070 556.3640 5.794693 556.8461 7.856812 557.3282 8.938019 557.8104 7.777191 558.2925 5.655304 558.7746 3.717850 559.2567 2.162994 559.7388 1.658997 560.2209 2.817963 560.7031 4.966873 561.1852 5.956985 561.6673 4.537811 562.1494 3.699173 562.6315 3.684647 563.1136 4.101212 563.5958 5.074921 564.0779 6.279312 564.5600 6.749039 565.0421 5.641251 565.5242 3.586258 566.0063 2.900620 566.4885 4.326340 566.9706 4.958511 567.4527 2.919266 567.9348 0.7537540 568.4169 0.3423610 568.8990 1.595337 569.3812 3.043442 569.8633 4.578506 570.3454 5.513519 570.8275 4.065109 571.3096 0.4705350 571.7917 1.754379 572.2739 0.9375000 572.7560 1.721985 573.2381 4.395416 573.7202 7.487350 574.2023 9.099106 574.6844 7.824402 575.1666 6.081253 575.6487 5.822952 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