#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:44:59 +0300 (Thu, 26 Apr 2018) $ #$Revision: 556 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000102.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_1000102 loop_ _publ_author_name 'Yang, H.' 'Pinch, W. W.' 'Downs, R. T.' _publ_section_title ; Crystal structure of argentopyrite, AgFe2S3, and its relationship with cubanite Locality: Joachimstal, Bohemia, Czech Republic, type sample ; _journal_name_full 'American Mineralogist' _journal_page_first 1727 _journal_page_last 1730 _journal_volume 94 _journal_year 2009 _chemical_compound_source R090026 _chemical_formula_sum 'Ag Fe2 S3' _chemical_name_mineral Argentopyrite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2n' _symmetry_space_group_name_H-M 'P 1 1 21/n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90.2420 _cell_length_a 6.6902 _cell_length_b 11.4497 _cell_length_c 6.4525 _cell_volume 494.262 _exptl_crystal_density_diffrn 4.243 _cod_database_code 9013697 _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 R090026.rod _rod_data_source.block 3500000 _rod_database.code 1000102 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 9013697 COD http://www.crystallography.net/cod/9013697.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 158.4269 0.0000000E+00 158.9090 0.2091520 159.3912 5.0050002E-03 159.8733 0.2048110 160.3554 1.356293 160.8375 2.652939 161.3196 3.378502 161.8017 3.262611 162.2839 2.450233 162.7660 1.864212 163.2481 1.748024 163.7302 1.537865 164.2123 0.8821330 164.6944 0.1598280 165.1766 9.2499003E-02 165.6587 0.4680630 166.1408 1.660255 166.6229 2.362160 167.1050 2.147850 167.5871 1.914192 168.0693 1.884987 168.5514 1.969025 169.0335 1.949486 169.5156 1.667793 169.9977 1.147713 170.4798 0.7998500 170.9620 0.6839520 171.4441 0.6413120 171.9262 0.6221620 172.4083 0.7570270 172.8904 0.7582470 173.3725 0.7478790 173.8547 0.7392270 174.3368 0.7990040 174.8189 0.9297490 175.3010 1.127335 175.7831 1.457550 176.2652 1.929703 176.7474 2.334915 177.2295 2.408272 177.7116 2.229851 178.1937 1.946541 178.6758 1.393707 179.1579 0.8192830 179.6401 0.6035000 180.1222 0.8192670 180.6043 1.214218 181.0864 1.875153 181.5685 2.574196 182.0506 2.959991 182.5328 2.699814 183.0149 2.038597 183.4970 1.828430 183.9791 2.562958 184.4612 2.966278 184.9433 2.129486 185.4255 0.6558610 185.9076 0.3796920 186.3897 7.6560996E-02 186.8718 1.360687 187.3539 2.114296 187.8360 1.476860 188.3182 0.8543400 188.8003 0.5960690 189.2824 0.6681980 189.7645 0.9601750 190.2466 1.435852 190.7287 2.119011 191.2109 2.517914 191.6930 2.282417 192.1751 1.971954 192.6572 1.798103 193.1393 1.769081 193.6214 1.577759 194.1036 1.090157 194.5857 0.3292310 195.0678 0.1311650 195.5499 0.5008620 196.0320 0.9923020 196.5141 1.382645 196.9963 1.635780 197.4784 1.756416 197.9605 1.706825 198.4426 1.438873 198.9247 1.502022 199.4068 2.452477 199.8890 3.284256 200.3711 3.156204 200.8532 2.065285 201.3353 0.8613280 201.8174 0.3400570 202.2995 0.5597380 202.7817 0.6523820 203.2638 0.3619690 203.7459 6.2843002E-02 204.2280 0.1900250 204.7101 0.8093800 205.1922 1.450836 205.6744 1.705566 206.1565 1.606987 206.6386 1.510529 207.1207 1.744293 207.6028 2.071587 208.0849 2.127174 208.5671 1.823006 209.0492 1.485909 209.5313 1.373375 210.0134 1.422653 210.4955 1.525948 210.9776 1.706772 211.4598 1.909904 211.9419 2.026894 212.4240 2.096405 212.9061 1.982307 213.3882 1.358833 213.8703 0.5190810 214.3525 3.3950999E-02 214.8346 0.4527360 215.3167 1.467979 215.7988 2.034698 216.2809 2.032028 216.7630 2.045967 217.2451 2.432228 217.7273 3.010780 218.2094 3.462250 218.6915 3.597527 219.1736 3.446426 219.6557 3.160965 220.1378 2.531151 220.6200 2.079330 221.1021 2.102402 221.5842 2.317360 222.0663 2.317268 222.5484 1.752182 223.0305 0.7095340 223.5127 7.4782997E-02 223.9948 0.1196900 224.4769 0.3377990 224.9590 0.8918230 225.4411 1.496468 225.9232 1.753075 226.4054 1.330521 226.8875 0.3204500 227.3696 0.2157290 227.8517 0.2151790 228.3338 0.6252440 228.8159 0.9145970 229.2981 1.028770 229.7802 0.8421400 230.2623 0.2248540 230.7444 0.7409290 231.2265 1.094749 231.7086 0.2468410 232.1908 0.5145870 232.6729 0.8670270 233.1550 0.8993000 233.6371 0.8088760 234.1192 0.7016450 234.6013 0.5852430 235.0835 0.5228270 235.5656 0.5283660 236.0477 0.5588990 236.5298 0.5742950 237.0119 0.6040730 237.4940 0.7424090 237.9762 1.075417 238.4583 1.522171 238.9404 1.695885 239.4225 1.293297 239.9046 1.006409 240.3867 1.128403 240.8689 1.549446 241.3510 2.025116 241.8331 2.472092 242.3152 2.850609 242.7973 3.067642 243.2794 3.184967 243.7616 3.064133 244.2437 2.451630 244.7258 1.550354 245.2079 1.067017 245.6900 1.462784 246.1721 2.247017 246.6543 2.377586 247.1364 1.630600 247.6185 0.9178240 248.1006 0.7205120 248.5827 0.9393920 249.0648 1.223846 249.5470 1.479614 250.0291 1.728798 250.5112 2.120941 250.9933 2.756248 251.4754 2.987732 251.9576 2.052979 252.4397 0.2804570 252.9218 0.8626560 253.4039 0.7858960 253.8860 0.1526030 254.3681 0.3073880 254.8503 0.5969240 255.3324 0.8239360 255.8145 1.023796 256.2966 1.205879 256.7787 1.446655 257.2608 1.890030 257.7430 2.207726 258.2251 2.081261 258.7072 1.571304 259.1893 1.077507 259.6714 0.9030990 260.1535 0.9857480 260.6357 0.9235990 261.1178 0.5258030 261.5999 0.1854710 262.0820 0.2331390 262.5641 0.5594480 263.0462 0.8182070 263.5284 0.6816940 264.0105 0.2461850 264.4926 0.1077270 264.9747 0.4582750 265.4568 0.8475950 265.9389 1.111916 266.4211 1.248734 266.9032 1.245049 267.3853 1.027000 267.8674 0.6665120 268.3495 0.5074310 268.8316 0.7720410 269.3138 0.8934020 269.7959 0.5634920 270.2780 0.8071744 270.7601 0.5052340 271.2422 0.8158190 271.7243 0.9273220 272.2065 0.7655640 272.6886 0.7923128 273.1707 0.5022740 273.6528 0.5084690 274.1349 0.2805860 274.6170 0.1730580 275.0992 0.3586350 275.5813 0.6886670 276.0634 0.7874830 276.5455 0.5510330 277.0276 0.2632060 277.5097 0.2696380 277.9919 0.7002260 278.4740 0.6162340 278.9561 1.116321 279.4382 1.155457 279.9203 1.822861 280.4024 2.125664 280.8846 2.009232 281.3667 0.9640660 281.8488 0.1109090 282.3309 0.4624860 282.8130 5.3993002E-02 283.2951 0.9207840 283.7773 1.354622 284.2594 1.093033 284.7415 1.043564 285.2236 1.400314 285.7057 1.826363 286.1878 2.080406 286.6700 2.129181 287.1521 2.081467 287.6342 2.047424 288.1163 2.007561 288.5984 1.978691 289.0805 1.965042 289.5627 2.090851 290.0448 2.362442 290.5269 2.746948 291.0090 3.243874 291.4911 3.906242 291.9732 4.778755 292.4554 5.222069 292.9375 4.845711 293.4196 4.438187 293.9017 4.115456 294.3838 3.961090 294.8659 4.110252 295.3481 4.695389 295.8302 5.672874 296.3123 6.421494 296.7944 6.742241 297.2765 7.035606 297.7586 7.365410 298.2408 7.717270 298.7229 8.056923 299.2050 8.364212 299.6871 8.646439 300.1692 8.929001 300.6513 9.185043 301.1335 9.476028 301.6156 9.983955 302.0977 10.45605 302.5798 10.50117 303.0619 9.979904 303.5440 9.274857 304.0262 9.216362 304.5083 10.46116 304.9904 11.39737 305.4725 12.07066 305.9546 12.41672 306.4367 12.23666 306.9189 11.54729 307.4010 10.72909 307.8831 10.31908 308.3652 10.46923 308.8473 10.66627 309.3294 10.94591 309.8116 11.23560 310.2937 11.46944 310.7758 11.59544 311.2579 11.75718 311.7400 12.07659 312.2221 12.56953 312.7043 12.92753 313.1864 13.08950 313.6685 13.19878 314.1506 13.18571 314.6327 13.15753 315.1148 13.35661 315.5970 13.98405 316.0791 15.00095 316.5612 15.86837 317.0433 16.06362 317.5254 16.69871 318.0075 18.34728 318.4897 20.51519 318.9718 22.47992 319.4539 23.86975 319.9360 24.80394 320.4181 25.67160 320.9002 26.54277 321.3824 27.22513 321.8645 27.59083 322.3466 27.82251 322.8287 28.12656 323.3108 28.56042 323.7929 28.99786 324.2751 29.17493 324.7572 28.66339 325.2393 28.75515 325.7214 30.00851 326.2035 31.36789 326.6856 31.98956 327.1678 31.85513 327.6499 31.66941 328.1320 32.26783 328.6141 33.90720 329.0962 34.88789 329.5783 34.99930 330.0605 34.79555 330.5426 34.38681 331.0247 33.83883 331.5068 33.30701 331.9889 32.89993 332.4710 32.61263 332.9532 32.31982 333.4353 32.03032 333.9174 31.72198 334.3995 31.48422 334.8816 31.20302 335.3637 30.70084 335.8459 29.88616 336.3280 28.84190 336.8101 27.77438 337.2922 26.71518 337.7743 25.46921 338.2564 23.89596 338.7386 22.21336 339.2206 20.65515 339.7028 19.26174 340.1849 17.85471 340.6670 16.21805 341.1491 14.09017 341.6312 12.19869 342.1133 10.39014 342.5955 8.914368 343.0776 8.007111 343.5597 7.610626 344.0418 7.454773 344.5239 7.269112 345.0060 7.016212 345.4882 6.741096 345.9703 6.309113 346.4524 6.031654 346.9345 5.956375 347.4166 6.098312 347.8987 6.489601 348.3809 7.199150 348.8630 8.085617 349.3451 8.504913 349.8272 7.888130 350.3093 7.704391 350.7914 8.431419 351.2736 9.573463 351.7557 10.71681 352.2378 11.71452 352.7199 12.49583 353.2020 12.82574 353.6841 12.41509 354.1663 12.44376 354.6484 13.35338 355.1305 14.48553 355.6126 15.63006 356.0947 16.68393 356.5768 17.44582 357.0590 17.58803 357.5411 17.07702 358.0232 16.82510 358.5053 17.08004 358.9874 17.33452 359.4695 17.31828 359.9517 17.14430 360.4338 17.05962 360.9159 17.22523 361.3980 17.57014 361.8801 17.83665 362.3622 17.86803 362.8444 18.17812 363.3265 19.32655 363.8086 20.65681 364.2907 21.46378 364.7728 21.50832 365.2549 21.16322 365.7371 20.89024 366.2192 20.70654 366.7013 20.42780 367.1834 20.08743 367.6655 19.55710 368.1476 18.61246 368.6298 17.28326 369.1119 16.07762 369.5940 15.40404 370.0761 15.17820 370.5582 15.04752 371.0403 15.11195 371.5225 15.02964 372.0046 14.46304 372.4867 13.58578 372.9688 12.78491 373.4509 12.29971 373.9330 11.91824 374.4152 11.31758 374.8973 10.48117 375.3794 9.572464 375.8615 8.519737 376.3436 7.526421 376.8257 6.961792 377.3079 7.068306 377.7900 7.075096 378.2721 6.147797 378.7542 4.561081 379.2363 3.583206 379.7184 3.748482 380.2006 4.341179 380.6827 4.426788 381.1648 4.021935 381.6469 3.664200 382.1290 3.659233 382.6111 3.744934 383.0933 3.484497 383.5754 2.809853 384.0575 2.150406 384.5396 1.880524 385.0217 1.994987 385.5038 1.976555 385.9860 1.730804 386.4681 1.376778 386.9502 0.9139940 387.4323 0.3979420 387.9144 2.2652000E-02 388.3965 -4.2359862E-02 388.8787 0.4184800 389.3608 0.2077480 389.8429 0.5721740 390.3250 1.148216 390.8071 1.307030 391.2892 1.202515 391.7714 0.9462510 392.2535 0.5768050 392.7356 0.2355120 393.2177 7.6195002E-02 393.6998 0.1118930 394.1819 0.3535920 394.6641 1.048523 395.1462 1.709549 395.6283 2.178467 396.1104 2.389732 396.5925 2.171516 397.0746 1.350159 397.5568 1.322281 398.0389 0.6666950 398.5210 0.5818020 399.0031 0.4115680 399.4852 5.7762001E-02 399.9673 0.2611540 400.4495 0.2352140 400.9316 0.2072300 401.4137 0.7586360 401.8958 0.9252240 402.3779 0.5054470 402.8600 0.2429810 403.3422 0.4160460 403.8243 0.4691700 404.3064 0.8199149 404.7885 0.8391720 405.2706 1.644318 405.7527 2.095604 406.2349 2.241104 406.7170 2.246101 407.1991 2.075233 407.6812 1.847298 408.1633 1.525551 408.6454 1.193367 409.1276 0.9644320 409.6097 0.8805240 410.0918 0.8729400 410.5739 0.8394780 411.0560 0.7186430 411.5381 0.7319110 412.0203 1.037262 412.5024 1.385864 412.9845 1.682251 413.4666 1.904724 413.9487 2.015724 414.4308 1.922806 414.9130 1.689026 415.3951 1.562645 415.8772 1.576622 416.3593 1.610130 416.8414 1.621338 417.3235 1.604454 417.8057 1.548965 418.2878 1.460884 418.7699 1.319923 419.2520 0.9832610 419.7341 0.5040660 420.2162 0.4420320 420.6984 1.181717 421.1805 2.133720 421.6626 2.521873 422.1447 2.360397 422.6268 2.132484 423.1089 2.002335 423.5911 1.912437 424.0732 1.809143 424.5553 1.697350 425.0374 1.473564 425.5195 1.000656 426.0016 0.3566280 426.4838 4.1816998E-02 426.9659 0.3117600 427.4480 0.6293410 427.9301 0.7674560 428.4122 0.7688830 428.8943 0.7913280 429.3765 0.8978580 429.8586 1.002411 430.3407 0.8975140 430.8228 0.3817750 431.3049 0.1227190 431.7870 0.3479310 432.2692 0.6677020 432.7513 0.7972720 433.2334 0.7331920 433.7155 0.6181950 434.1976 0.5578540 434.6797 0.5540540 435.1619 0.6426160 435.6440 0.9677810 436.1261 1.206062 436.6082 1.268211 437.0903 1.236366 437.5724 1.172318 438.0546 1.106850 438.5367 1.037727 439.0188 0.9635700 439.5009 0.8089680 439.9830 0.7874530 440.4651 1.264709 440.9473 1.549980 441.4294 1.129898 441.9115 1.186824 442.3936 0.5264970 442.8757 0.6213000 443.3578 0.2454990 443.8400 1.6998000E-02 444.3221 1.5396000E-02 444.8042 2.7920001E-03 445.2863 8.5845999E-02 445.7684 0.1578670 446.2505 6.8893000E-02 446.7327 0.2194060 447.2148 0.5706180 447.6969 0.9323960 448.1790 1.274666 448.6611 1.327988 449.1432 0.9262920 449.6254 0.4956280 450.1075 0.4110720 450.5896 0.5964580 451.0717 0.8440170 451.5538 1.174301 452.0359 1.479851 452.5181 1.703743 453.0002 1.823380 453.4823 1.714127 453.9644 1.243904 454.4465 0.6134260 454.9286 0.2850110 455.4108 0.3118290 455.8929 0.3735200 456.3750 0.4975510 456.8571 0.6189580 457.3392 0.6565170 457.8214 0.5913160 458.3035 0.5029530 458.7856 0.4554750 459.2677 0.4264910 459.7498 0.3334430 460.2319 0.1420140 460.7141 1.4500000E-04 461.1962 9.3406998E-02 461.6783 0.1185610 462.1604 1.0887000E-02 462.6425 0.2913510 463.1246 0.5801930 463.6068 0.1875080 464.0889 0.7802730 464.5710 1.327927 465.0531 1.477379 465.5352 3.4775000E-02 466.0173 0.6462100 466.4995 0.4335480 466.9816 0.1870040 467.4637 1.087143 467.9458 0.1253200 468.4279 0.7578810 468.9100 0.8047790 469.3922 1.234001 469.8743 0.8333130 470.3564 0.6881560 470.8385 1.371971 471.3206 1.596596 471.8027 1.099701 472.2849 1.551254 472.7670 0.3079380 473.2491 0.5516820 473.7312 1.436966 474.2133 0.9812010 474.6954 1.447380 475.1776 1.562263 475.6597 8.1169002E-02 476.1418 1.375320 476.6239 1.469093 477.1060 0.3305360 477.5881 1.531769 478.0703 0.5644610 478.5524 0.3690110 479.0345 0.7557070 479.5166 0.5352860 479.9987 1.273331 480.4808 1.090622 480.9630 0.8232800 481.4451 0.9146270 481.9272 0.6789561 482.4093 0.9595870 482.8914 0.6321490 483.3735 0.9448170 483.8557 1.402802 484.3378 0.7456820 484.8199 1.268791 485.3020 3.6598001E-02 485.7841 0.1876600 486.2662 0.2485430 486.7484 1.286316 487.2305 1.0788000E-02 487.7126 0.1703640 488.1947 0.9808580 488.6768 0.9104460 489.1589 1.208237 489.6411 0.4184340 490.1232 0.6660690 490.6053 0.6328430 491.0874 1.562057 491.5695 1.716736 492.0516 0.9420550 492.5338 0.1711960 493.0159 1.165390 493.4980 0.4863660 493.9801 0.7098240 494.4622 9.5399999E-04 494.9443 9.6763998E-02 495.4265 0.1796340 495.9086 0.6749570 496.3907 8.0994003E-02 496.8728 0.7857280 497.3549 0.7143170 497.8370 0.9190830 498.3192 1.093994 498.8013 9.1399997E-03 499.2834 4.4155002E-02 499.7655 1.378151 500.2476 0.5063250 500.7297 8.2686998E-02 501.2119 5.3630001E-03 501.6940 1.468037 502.1761 1.517750 502.6582 0.1234550 503.1403 1.277588 503.6224 0.8006860 504.1045 0.8826100 504.5866 0.7720380 505.0688 0.7210270 505.5509 9.5942996E-02 506.0330 9.3033001E-02 506.5151 1.100719 506.9972 0.7117080 507.4793 1.272701 507.9615 0.1045420 508.4436 3.8672999E-02 508.9257 9.0336002E-02 509.4078 9.9491000E-02 509.8899 0.1146320 510.3720 8.6723000E-02 510.8542 7.0910998E-02 511.3363 0.5462680 511.8184 1.009731 512.3005 1.033161 512.7827 0.4948040 513.2648 1.5404000E-02 513.7469 0.2219160 514.2290 0.8506890 514.7111 1.063793 515.1932 0.6750530 515.6754 0.2621080 516.1575 0.2906110 516.6396 0.6748200 517.1217 0.9585460 517.6038 1.085026 518.0859 1.139084 518.5681 1.132732 519.0502 1.094154 519.5323 1.099785 520.0144 1.176479 520.4965 1.214169 520.9786 1.058266 521.4608 0.6316570 521.9429 0.3854830 522.4250 0.3097530 522.9071 0.3554230 523.3892 0.6496010 523.8713 1.015736 524.3535 1.147106 524.8356 0.9220540 525.3177 0.5461310 525.7998 0.3252260 526.2819 0.3061750 526.7640 0.3753970 527.2462 0.6167490 527.7283 0.8533740 528.2104 0.9831890 528.6925 1.043655 529.1746 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