#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:45:33 +0300 (Thu, 26 Apr 2018) $ #$Revision: 565 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000110.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_1000110 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 Synthetic _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 R100124.rod _rod_data_source.block 3500000 _rod_database.code 1000110 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 163.4050 6.643799 163.8871 17.46655 164.3693 26.23218 164.8514 33.30835 165.3335 39.53809 165.8156 44.79688 166.2977 48.95337 166.7798 51.72314 167.2620 53.44434 167.7441 54.45093 168.2262 54.76147 168.7083 54.72900 169.1904 55.58276 169.6725 58.70605 170.1547 60.24365 170.6368 57.41357 171.1189 51.42773 171.6010 46.45117 172.0831 44.44165 172.5652 44.63501 173.0474 45.03198 173.5295 45.95996 174.0116 46.49097 174.4937 45.64917 174.9758 43.42969 175.4579 41.36670 175.9401 40.49731 176.4222 39.90454 176.9043 38.53223 177.3864 35.95801 177.8685 33.06714 178.3506 30.99487 178.8328 29.94312 179.3149 28.98218 179.7970 28.28394 180.2791 27.30859 180.7612 25.64014 181.2433 23.13550 181.7255 19.74170 182.2076 15.33569 182.6897 9.944580 183.1718 3.297607 183.6539 4.573975 184.1360 13.46558 184.6181 23.12817 185.1003 33.45190 185.5824 44.57227 186.0645 56.22852 186.5466 69.02661 187.0287 82.35400 187.5108 96.48779 187.9930 110.9077 188.4751 125.0396 188.9572 138.4927 189.4393 151.3198 189.9214 163.5708 190.4035 172.8306 190.8857 184.1604 191.3678 199.4827 191.8499 217.3716 192.3320 235.7793 192.8141 253.7246 193.2962 270.9426 193.7784 285.4697 194.2605 296.3091 194.7426 306.2432 195.2247 315.9302 195.7068 325.4431 196.1889 334.7915 196.6711 343.6799 197.1532 352.5767 197.6353 363.4214 198.1174 377.3501 198.5995 392.0022 199.0816 404.8274 199.5638 416.5564 200.0459 431.8010 200.5280 453.9934 201.0101 482.1350 201.4922 510.9199 201.9743 540.7437 202.4565 570.8406 202.9386 599.7910 203.4207 627.5759 203.9028 657.5337 204.3849 691.7615 204.8670 729.3499 205.3492 768.8982 205.8313 810.7773 206.3134 853.7737 206.7955 895.6489 207.2776 935.8130 207.7597 977.6270 208.2419 1022.984 208.7240 1070.749 209.2061 1119.958 209.6882 1170.427 210.1703 1222.002 210.6524 1274.775 211.1346 1328.948 211.6167 1382.874 212.0988 1436.145 212.5809 1488.630 213.0630 1540.636 213.5451 1591.994 214.0273 1642.716 214.5094 1692.652 214.9915 1742.184 215.4736 1790.081 215.9557 1837.765 216.4378 1883.478 216.9200 1925.381 217.4021 1962.324 217.8842 1995.956 218.3663 2030.784 218.8484 2071.372 219.3305 2105.865 219.8127 2131.065 220.2948 2150.807 220.7769 2169.115 221.2590 2187.800 221.7411 2206.086 222.2232 2221.570 222.7054 2234.195 223.1875 2243.869 223.6696 2249.342 224.1517 2252.506 224.6338 2255.288 225.1159 2258.620 225.5980 2262.321 226.0802 2265.805 226.5623 2268.675 227.0444 2271.750 227.5265 2276.853 228.0086 2281.620 228.4907 2282.678 228.9729 2278.615 229.4550 2271.092 229.9371 2264.246 230.4192 2259.897 230.9013 2253.114 231.3834 2244.231 231.8656 2232.196 232.3477 2215.248 232.8298 2192.603 233.3119 2165.495 233.7940 2135.397 234.2761 2101.184 234.7583 2067.630 235.2404 2038.114 235.7225 2009.813 236.2046 1976.963 236.6867 1936.657 237.1688 1892.922 237.6510 1852.081 238.1331 1814.447 238.6152 1777.486 239.0973 1740.182 239.5794 1702.998 240.0615 1666.320 240.5437 1628.857 241.0258 1594.761 241.5079 1570.327 241.9900 1554.826 242.4721 1541.141 242.9542 1527.900 243.4364 1514.373 243.9185 1497.868 244.4006 1476.008 244.8827 1454.672 245.3648 1439.591 245.8469 1430.153 246.3290 1423.651 246.8112 1419.142 247.2933 1416.605 247.7754 1415.929 248.2575 1417.185 248.7396 1420.386 249.2217 1424.962 249.7039 1431.039 250.1860 1439.473 250.6681 1450.771 251.1502 1464.739 251.6323 1480.701 252.1144 1497.704 252.5966 1518.484 253.0787 1543.920 253.5608 1573.602 254.0429 1607.141 254.5250 1644.284 255.0071 1684.951 255.4893 1729.284 255.9714 1777.200 256.4535 1829.309 256.9356 1886.395 257.4177 1946.885 257.8998 2008.903 258.3820 2071.886 258.8641 2135.149 259.3462 2196.070 259.8283 2253.316 260.3104 2310.205 260.7925 2370.931 261.2747 2431.688 261.7568 2487.364 262.2389 2535.695 262.7210 2577.545 263.2031 2615.984 263.6852 2651.077 264.1674 2682.028 264.6495 2706.763 265.1316 2728.787 265.6137 2751.749 266.0958 2777.260 266.5779 2804.026 267.0601 2829.072 267.5422 2852.496 268.0243 2873.573 268.5064 2891.473 268.9885 2907.875 269.4706 2923.996 269.9528 2940.302 270.4349 2956.727 270.9170 2973.002 271.3991 2988.158 271.8812 3005.059 272.3633 3024.549 272.8455 3045.099 273.3276 3065.436 273.8097 3085.308 274.2918 3105.322 274.7739 3126.772 275.2560 3151.890 275.7382 3173.443 276.2202 3190.960 276.7024 3206.137 277.1845 3220.856 277.6666 3234.941 278.1487 3246.098 278.6308 3251.498 279.1129 3250.347 279.5951 3245.632 280.0772 3234.501 280.5593 3222.897 281.0414 3213.336 281.5235 3206.185 282.0056 3200.848 282.4878 3196.740 282.9699 3193.703 283.4520 3192.985 283.9341 3192.634 284.4162 3196.040 284.8983 3207.273 285.3805 3223.878 285.8626 3240.425 286.3447 3253.458 286.8268 3262.892 287.3089 3261.801 287.7910 3251.273 288.2732 3230.373 288.7553 3199.206 289.2374 3157.306 289.7195 3104.744 290.2016 3041.793 290.6837 2967.976 291.1659 2876.956 291.6480 2761.108 292.1301 2637.768 292.6122 2507.681 293.0943 2372.127 293.5764 2232.342 294.0586 2088.098 294.5407 1940.618 295.0228 1792.457 295.5049 1639.079 295.9870 1490.555 296.4691 1343.933 296.9513 1203.782 297.4334 1075.126 297.9155 960.1233 298.3976 855.7031 298.8797 757.2603 299.3618 665.1887 299.8440 580.0071 300.3261 502.2063 300.8082 431.4353 301.2903 366.9321 301.7724 308.8350 302.2545 256.4946 302.7367 208.7678 303.2188 165.9927 303.7009 129.2561 304.1830 100.5193 304.6651 75.33447 305.1472 50.08936 305.6294 25.21436 306.1115 4.177490 306.5936 9.996826 307.0757 17.09473 307.5578 19.98535 308.0399 17.94092 308.5221 13.31226 309.0042 6.644287 309.4863 1.822510 309.9684 11.97021 310.4505 23.87256 310.9326 37.31763 311.4148 50.74585 311.8969 64.35620 312.3790 78.19995 312.8611 92.23120 313.3432 106.6458 313.8253 121.7454 314.3075 137.6240 314.7896 153.8196 315.2717 169.2742 315.7538 182.1172 316.2359 196.8618 316.7180 213.7615 317.2001 232.6401 317.6823 252.7598 318.1644 273.9766 318.6465 297.8374 319.1286 326.8274 319.6107 362.6123 320.0928 400.3782 320.5750 440.4470 321.0571 482.1097 321.5392 524.5352 322.0213 567.6296 322.5034 612.7537 322.9855 661.3232 323.4677 714.3218 323.9498 766.7283 324.4319 817.0857 324.9140 868.0460 325.3961 922.8616 325.8782 979.8529 326.3604 1034.821 326.8425 1085.134 327.3246 1130.630 327.8067 1170.001 328.2888 1202.917 328.7709 1231.408 329.2531 1253.209 329.7352 1271.275 330.2173 1289.247 330.6994 1308.624 331.1815 1330.637 331.6636 1358.917 332.1458 1395.181 332.6279 1436.417 333.1100 1481.055 333.5921 1531.183 334.0742 1588.838 334.5563 1654.408 335.0385 1728.189 335.5206 1810.060 336.0027 1901.197 336.4848 1999.610 336.9669 2107.221 337.4490 2220.356 337.9312 2336.340 338.4133 2455.738 338.8954 2580.727 339.3775 2713.819 339.8596 2855.985 340.3417 2996.959 340.8239 3142.517 341.3060 3280.998 341.7881 3415.201 342.2702 3539.056 342.7523 3643.425 343.2344 3723.535 343.7166 3776.777 344.1987 3789.260 344.6808 3753.191 345.1629 3678.894 345.6450 3560.872 346.1271 3407.623 346.6093 3222.971 347.0914 3010.710 347.5735 2778.852 348.0556 2545.286 348.5377 2299.655 349.0198 2070.345 349.5020 1855.542 349.9841 1655.454 350.4662 1472.537 350.9483 1307.145 351.4304 1157.611 351.9125 1023.778 352.3947 906.5953 352.8768 800.5470 353.3589 707.6277 353.8410 623.9224 354.3231 549.6395 354.8052 483.8132 355.2874 424.5459 355.7695 371.0242 356.2516 323.2227 356.7337 279.4783 357.2158 239.7191 357.6979 204.8534 358.1800 174.5801 358.6621 148.9722 359.1443 128.9387 359.6264 114.6293 360.1085 104.3030 360.5906 94.71545 361.0727 85.65430 361.5548 77.95190 362.0370 71.72522 362.5191 66.76593 363.0012 63.55457 363.4833 61.74194 363.9654 60.16016 364.4475 57.72040 364.9297 54.45264 365.4118 50.26935 365.8939 45.15210 366.3760 39.10358 366.8581 31.96802 367.3402 24.02356 367.8224 15.71063 368.3045 7.300354 368.7866 1.184570 369.2687 9.804871 369.7508 18.75299 370.2329 27.32056 370.7151 35.92126 371.1972 43.80634 371.6793 50.36682 372.1614 55.24500 372.6435 59.06024 373.1256 62.46838 373.6078 65.47888 374.0899 67.65936 374.5720 68.75494 375.0541 69.04309 375.5362 68.62115 376.0183 67.58771 376.5005 66.29376 376.9826 65.19550 377.4647 64.08191 377.9468 62.22498 378.4289 59.51697 378.9110 56.18927 379.3932 51.76221 379.8753 46.90302 380.3574 42.98560 380.8395 41.12933 381.3216 39.77298 381.8037 36.87787 382.2859 32.42767 382.7680 27.78857 383.2501 23.49237 383.7322 19.35602 384.2143 15.02518 384.6964 10.29291 385.1786 5.994598 385.6607 2.953369 386.1428 0.6795350 386.6249 2.016174 387.1070 5.387939 387.5891 9.357452 388.0713 14.10223 388.5534 19.53891 389.0355 24.79370 389.5176 29.58197 389.9997 34.18011 390.4818 39.01324 390.9640 44.05179 391.4461 48.61310 391.9282 51.99069 392.4103 54.52838 392.8924 58.05411 393.3745 62.88062 393.8567 68.23734 394.3388 74.50748 394.8209 81.02414 395.3030 86.27716 395.7851 89.58286 396.2672 92.08203 396.7494 95.83591 397.2315 101.7127 397.7136 106.7911 398.1957 110.2465 398.6778 113.3160 399.1599 116.9609 399.6420 121.2880 400.1241 125.9848 400.6063 130.8665 401.0884 135.9568 401.5705 140.3266 402.0526 143.2374 402.5347 146.3477 403.0168 150.1913 403.4990 154.5668 403.9811 159.1962 404.4632 163.9565 404.9453 168.7173 405.4274 173.1601 405.9095 177.2289 406.3917 181.0571 406.8738 184.8004 407.3559 188.2306 407.8380 190.7995 408.3201 192.6861 408.8022 194.9325 409.2844 198.6997 409.7665 204.1118 410.2486 209.1080 410.7307 213.5337 411.2128 217.6661 411.6949 221.5095 412.1771 225.1287 412.6592 228.5878 413.1413 231.8963 413.6234 235.1324 414.1055 238.5038 414.5876 242.1116 415.0698 245.5358 415.5519 248.5458 416.0340 251.4299 416.5161 254.4049 416.9982 257.4854 417.4803 260.5038 417.9625 263.1282 418.4446 265.4798 418.9267 268.5182 419.4088 272.8797 419.8909 276.8909 420.3730 278.7906 420.8552 279.6156 421.3373 281.5937 421.8194 286.2319 422.3015 291.5504 422.7836 295.1788 423.2657 297.1302 423.7479 298.5661 424.2300 299.5687 424.7121 300.6408 425.1942 302.5301 425.6763 305.3427 426.1584 308.3394 426.6406 311.1721 427.1227 313.6053 427.6048 315.3995 428.0869 316.4972 428.5690 316.4599 429.0511 314.7564 429.5333 311.4927 430.0154 308.5618 430.4975 306.7186 430.9796 304.6642 431.4617 301.6865 431.9438 297.9824 432.4260 294.0207 432.9081 290.0262 433.3902 286.0528 433.8723 282.2003 434.3544 279.1478 434.8365 275.0792 435.3187 268.9698 435.8008 262.5155 436.2829 257.1140 436.7650 252.9483 437.2471 249.5095 437.7292 246.3671 438.2114 243.4778 438.6935 240.0677 439.1756 235.5463 439.6577 231.1946 440.1398 227.6187 440.6219 224.4110 441.1040 220.8362 441.5862 216.5910 442.0683 212.3070 442.5504 209.2713 443.0325 207.9613 443.5146 206.2516 443.9967 203.8642 444.4789 201.0632 444.9610 197.6668 445.4431 193.9425 445.9252 190.6141 446.4073 188.2307 446.8894 186.6477 447.3716 185.4522 447.8537 184.8040 448.3358 184.0619 448.8179 182.9372 449.3000 181.5492 449.7821 179.8752 450.2643 177.7905 450.7464 175.8853 451.2285 174.9939 451.7106 174.8631 452.1927 173.9951 452.6748 171.7157 453.1570 169.3715 453.6391 168.6099 454.1212 169.0537 454.6033 169.1521 455.0854 168.6004 455.5675 167.5524 456.0497 165.7731 456.5318 163.4425 457.0139 161.6255 457.4960 161.0007 457.9781 161.1024 458.4602 160.6363 458.9424 159.3772 459.4245 158.1320 459.9066 157.0404 460.3887 156.0108 460.8708 155.0365 461.3529 154.0842 461.8351 152.9607 462.3172 151.4428 462.7993 149.5103 463.2814 147.7372 463.7635 145.7436 464.2456 144.3190 464.7278 144.2033 465.2099 144.5909 465.6920 144.3193 466.1741 142.9490 466.6562 141.0629 467.1383 139.7048 467.6205 139.1849 468.1026 138.2624 468.5847 136.3760 469.0668 134.5314 469.5489 133.3028 470.0310 132.5079 470.5132 131.5555 470.9953 129.9757 471.4774 128.1013 471.9595 126.9861 472.4416 127.0169 472.9237 126.3655 473.4059 123.4175 473.8880 120.0769 474.3701 118.2490 474.8522 118.1951 475.3343 118.2114 475.8164 117.3366 476.2986 115.7015 476.7807 113.5104 477.2628 110.7106 477.7449 107.7967 478.2270 104.9184 478.7091 102.2223 479.1913 100.2466 479.6734 99.59642 480.1555 99.05533 480.6376 98.10757 481.1197 96.78770 481.6018 95.14438 482.0839 93.18259 482.5660 90.99716 483.0482 88.63342 483.5303 85.87892 484.0124 83.87505 484.4945 83.29752 484.9766 82.79495 485.4587 81.70081 485.9409 80.08774 486.4230 78.26357 486.9051 76.38916 487.3872 74.46455 487.8693 72.48407 488.3514 70.25626 488.8336 68.35883 489.3157 66.92358 489.7978 65.70839 490.2799 64.73975 490.7620 63.89456 491.2441 62.78151 491.7263 60.92105 492.2084 58.54956 492.6905 56.88928 493.1726 56.31793 493.6547 55.52777 494.1368 53.42641 494.6190 51.12054 495.1011 49.88318 495.5832 50.05042 496.0653 50.35338 496.5474 49.83470 497.0295 48.68378 497.5117 47.45139 497.9938 46.19833 498.4759 44.94075 498.9580 43.60406 499.4401 42.24341 499.9222 41.15698 500.4044 40.60712 500.8865 40.09256 501.3686 39.35931 501.8507 38.45871 502.3328 37.49451 502.8149 36.50473 503.2971 35.44489 503.7792 34.18756 504.2613 32.47775 504.7434 31.55136 505.2255 32.12018 505.7076 32.68243 506.1898 32.41907 506.6719 31.61176 507.1540 30.97064 507.6361 30.88110 508.1182 31.02896 508.6003 30.61581 509.0825 29.29846 509.5646 28.34137 510.0467 28.38712 510.5288 28.37643 511.0109 27.56577 511.4930 26.13312 511.9752 24.86945 512.4573 24.34723 512.9394 24.27164 513.4215 23.87347 513.9036 23.04959 514.3857 22.62347 514.8679 23.25565 515.3500 24.21414 515.8321 24.58572 516.3142 24.32309 516.7963 23.74225 517.2784 22.65894 517.7606 21.48441 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