#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:16:49 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1055 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000503.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_1000503 loop_ _publ_author_name 'Groat, L. A.' 'Jambor, J. L.' 'Pemberton, B. C.' _publ_section_title ; The crystal structure of argentojarosite, AgFe3(SO4)2(OH)6 Locality: Tintic Standard mine at Dividend, central Utah ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 921 _journal_page_last 928 _journal_paper_doi 10.2113/gscanmin.41.4.921 _journal_volume 41 _journal_year 2003 _chemical_compound_source R060097 _chemical_formula_sum 'Ag Al0.12 Fe2.88 H6 O14 S2' _chemical_name_mineral Argentojarosite _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 7.3398 _cell_length_b 7.3398 _cell_length_c 16.538 _cell_volume 771.582 _exptl_crystal_density_diffrn 3.655 _cod_original_sg_symbol_H-M 'R -3 m' _cod_original_formula_sum 'Ag (Fe2.88 Al.12) S2 O14 H6' _cod_database_code 9004771 _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 other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _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 R060097.rod _rod_data_source.block 3500000 _rod_database.code 1000503 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 9004771 COD http://www.crystallography.net/cod/9004771.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 110.6202 0.0000000E+00 111.1023 0.1945340 111.5844 0.1691380 112.0665 8.8884003E-02 112.5486 5.2007999E-02 113.0308 0.3252830 113.5129 1.103708 113.9950 1.918921 114.4771 2.723267 114.9592 3.509829 115.4413 4.294170 115.9235 5.026192 116.4056 5.777046 116.8877 6.557930 117.3698 7.385487 117.8519 8.247868 118.3340 9.146584 118.8162 10.07557 119.2983 11.01781 119.7804 12.17372 120.2625 13.24705 120.7446 13.97236 121.2267 14.11591 121.7089 14.15882 122.1910 14.38400 122.6731 14.76266 123.1552 15.15513 123.6373 15.45266 124.1194 15.71758 124.6016 16.03846 125.0837 16.46287 125.5658 16.92858 126.0479 17.31593 126.5300 17.63299 127.0121 18.06999 127.4943 18.85456 127.9764 19.88184 128.4585 20.93476 128.9406 21.90725 129.4227 22.84459 129.9048 23.79772 130.3869 24.75965 130.8691 25.79255 131.3512 26.97607 131.8333 28.08623 132.3154 28.93420 132.7975 29.55531 133.2796 30.17687 133.7618 31.40100 134.2439 33.29008 134.7260 35.67763 135.2081 38.39457 135.6902 41.48260 136.1723 44.60212 136.6545 47.91816 137.1366 51.42548 137.6187 53.84238 138.1008 55.30201 138.5829 55.51365 139.0650 53.56284 139.5472 49.12857 140.0293 43.73723 140.5114 37.93760 140.9935 31.38586 141.4756 25.83999 141.9577 21.47365 142.4399 18.13055 142.9220 15.22689 143.4041 12.73679 143.8862 10.66465 144.3683 8.996155 144.8504 7.788136 145.3326 6.885357 145.8147 6.408413 146.2968 6.320301 146.7789 5.925869 147.2610 4.938248 147.7431 3.903625 148.2253 3.290184 148.7074 3.466518 149.1895 3.553883 149.6716 3.384357 150.1537 2.927834 150.6358 2.509579 151.1180 2.168903 151.6001 1.904732 152.0822 1.675102 152.5643 1.472973 153.0464 1.265980 153.5285 1.056530 154.0107 0.8419270 154.4928 0.7370870 154.9749 0.9333110 155.4570 1.189674 155.9391 1.202282 156.4212 0.6525310 156.9034 0.1042710 157.3855 0.2691310 157.8676 0.4329640 158.3497 0.4701610 158.8318 0.3156470 159.3139 5.2379999E-02 159.7961 0.1786840 160.2782 0.3869710 160.7603 0.5224690 161.2424 0.5359340 161.7245 0.3364030 162.2066 0.2072030 162.6888 0.2131880 163.1709 0.3545380 163.6530 0.6328580 164.1351 1.236782 164.6172 1.860947 165.0993 2.294205 165.5815 2.417244 166.0636 2.480164 166.5457 2.566662 167.0278 2.682568 167.5099 2.848190 167.9921 3.087357 168.4742 3.301979 168.9563 3.539806 169.4384 3.793060 169.9205 4.074371 170.4026 4.416779 170.8848 4.806534 171.3669 5.189240 171.8490 5.514214 172.3311 5.820835 172.8132 6.154057 173.2953 6.518566 173.7775 6.926506 174.2596 7.384365 174.7417 7.894913 175.2238 8.465965 175.7059 9.103928 176.1880 9.801201 176.6702 10.53572 177.1523 11.23233 177.6344 12.01439 178.1165 13.07980 178.5986 14.42691 179.0807 15.83348 179.5629 17.24329 180.0450 18.59727 180.5271 19.73792 181.0092 20.66628 181.4913 21.33784 181.9734 21.70432 182.4556 21.76844 182.9377 21.44128 183.4198 20.50565 183.9019 19.06566 184.3840 17.51762 184.8661 15.98742 185.3483 14.37340 185.8304 12.79733 186.3125 11.01357 186.7946 9.213085 187.2767 7.400188 187.7588 5.610264 188.2409 4.157234 188.7231 3.335480 189.2052 2.960430 189.6873 2.299198 190.1694 1.294991 190.6515 0.2534070 191.1336 0.4694020 191.6158 0.8834340 192.0979 1.123268 192.5800 1.203110 193.0621 1.140598 193.5442 1.067570 194.0263 0.9967990 194.5085 0.8735540 194.9906 0.5978510 195.4727 0.1701350 195.9548 0.2784810 196.4369 0.6009450 196.9190 0.8218770 197.4012 1.403122 197.8833 2.402267 198.3654 3.629154 198.8475 4.741047 199.3296 5.726425 199.8117 6.773567 200.2939 7.909630 200.7760 9.125599 201.2581 10.63731 201.7402 12.43343 202.2223 14.54319 202.7044 17.06226 203.1866 20.00013 203.6687 23.15257 204.1508 26.40672 204.6329 29.73989 205.1150 33.32848 205.5971 37.25923 206.0793 41.38860 206.5614 45.41429 207.0435 49.24889 207.5256 53.07036 208.0077 56.98333 208.4898 61.02406 208.9720 65.00164 209.4541 68.87640 209.9362 72.70512 210.4183 76.61727 210.9004 80.57898 211.3825 84.66080 211.8647 88.93989 212.3468 93.45410 212.8289 97.92928 213.3110 102.1617 213.7931 106.5141 214.2752 111.7754 214.7574 118.2047 215.2395 125.0152 215.7216 131.8710 216.2037 138.5242 216.6858 145.9031 217.1679 154.0422 217.6501 162.9290 218.1322 172.3638 218.6143 182.3541 219.0964 193.0856 219.5785 204.4576 220.0606 216.6822 220.5428 229.4132 221.0249 242.9519 221.5070 256.7951 221.9891 269.5399 222.4712 281.6297 222.9533 292.0516 223.4355 300.4350 223.9176 307.5757 224.3997 310.8105 224.8818 310.0208 225.3639 305.4330 225.8460 297.2651 226.3282 284.8371 226.8103 270.0590 227.2924 253.7898 227.7745 235.0789 228.2566 216.6660 228.7387 198.2989 229.2209 180.2861 229.7030 163.8224 230.1851 148.8155 230.6672 135.2124 231.1493 122.9778 231.6314 112.1535 232.1136 102.6166 232.5957 94.63049 233.0778 87.78993 233.5599 81.43782 234.0420 75.67806 234.5241 70.24525 235.0063 65.03279 235.4884 59.98002 235.9705 55.50478 236.4526 51.74275 236.9347 48.46145 237.4168 45.12894 237.8990 41.59708 238.3811 38.25573 238.8632 35.28259 239.3453 32.72705 239.8274 30.38265 240.3095 28.30625 240.7917 26.39583 241.2738 24.43300 241.7559 22.26228 242.2380 20.30196 242.7201 18.76139 243.2022 17.78941 243.6844 16.71692 244.1665 15.47118 244.6486 14.16125 245.1307 12.97637 245.6128 11.95651 246.0949 10.99356 246.5771 10.03683 247.0592 9.046982 247.5413 8.229298 248.0234 7.679012 248.5055 7.240467 248.9876 6.654766 249.4697 5.765633 249.9519 5.004597 250.4340 4.549568 250.9161 4.493919 251.3982 4.264210 251.8803 3.734833 252.3624 3.136948 252.8446 2.841457 253.3267 3.069324 253.8088 3.150089 254.2909 2.831028 254.7730 2.026928 255.2551 1.504856 255.7373 1.385113 256.2194 1.424957 256.7015 1.334023 257.1836 1.057728 257.6657 0.7674260 258.1479 0.4977650 258.6300 0.2515980 259.1121 1.3805000E-02 259.5942 0.2269710 260.0763 0.4480210 260.5584 0.6452600 261.0406 0.8463130 261.5227 0.9391940 262.0048 0.8405530 262.4869 0.5575330 262.9690 0.5066680 263.4511 0.8241960 263.9333 1.173149 264.4154 1.203289 264.8975 0.7878340 265.3796 0.4421730 265.8617 0.2860260 266.3438 0.2956350 266.8260 0.2065730 267.3081 1.3103000E-02 267.7902 0.2746730 268.2723 0.4888080 268.7544 0.6312180 269.2365 0.8321000 269.7187 1.122814 270.2008 1.489841 270.6829 1.850555 271.1650 2.207954 271.6471 2.550922 272.1292 2.851433 272.6114 3.094269 273.0935 3.369625 273.5756 3.661697 274.0577 3.999916 274.5398 4.532608 275.0219 5.314301 275.5041 6.118443 275.9862 6.752674 276.4683 7.176991 276.9504 7.794575 277.4325 8.705029 277.9146 9.786362 278.3968 10.67820 278.8788 11.31793 279.3610 12.07376 279.8431 13.17205 280.3252 14.62901 280.8073 15.96737 281.2894 17.13568 281.7715 18.25656 282.2537 19.67064 282.7358 21.39207 283.2179 23.24911 283.7000 25.24499 284.1821 27.33828 284.6642 29.44442 285.1464 31.54424 285.6285 33.71892 286.1106 36.07522 286.5927 38.61345 287.0748 41.24273 287.5569 43.92303 288.0391 46.67331 288.5212 49.50817 289.0033 52.44174 289.4854 55.45759 289.9675 58.55553 290.4496 61.74622 290.9318 64.95323 291.4139 68.18709 291.8960 71.44965 292.3781 74.66799 292.8602 77.86662 293.3423 81.05180 293.8245 84.17771 294.3066 87.29794 294.7887 90.68420 295.2708 94.43359 295.7529 98.45670 296.2350 102.5013 296.7172 106.5532 297.1993 110.8424 297.6814 115.7224 298.1635 121.0549 298.6456 126.3432 299.1277 131.4709 299.6099 136.6011 300.0920 141.7877 300.5741 147.1032 301.0562 152.5493 301.5383 158.5364 302.0204 164.6766 302.5026 170.2079 302.9847 175.1333 303.4668 179.2313 303.9489 182.6936 304.4310 185.2535 304.9131 186.1726 305.3953 184.9017 305.8774 181.7305 306.3595 176.9801 306.8416 170.6667 307.3237 162.9625 307.8058 153.6466 308.2880 143.0881 308.7701 132.1658 309.2522 120.4709 309.7343 108.9730 310.2164 98.57593 310.6985 89.29653 311.1807 80.73528 311.6628 72.52728 312.1449 64.79139 312.6270 57.96412 313.1091 52.40106 313.5912 47.58043 314.0734 43.12519 314.5555 39.04557 315.0376 35.49770 315.5197 32.79219 316.0018 30.55046 316.4839 28.44445 316.9661 26.22647 317.4482 24.21293 317.9303 22.64392 318.4124 21.46174 318.8945 20.24274 319.3766 18.61856 319.8588 17.04345 320.3409 15.88836 320.8230 15.67418 321.3051 15.23756 321.7872 14.04611 322.2693 12.37082 322.7515 11.01406 323.2336 10.41219 323.7157 9.969290 324.1978 9.391293 324.6799 8.575060 325.1620 7.806458 325.6442 7.080936 326.1263 6.412830 326.6084 5.849998 327.0905 5.555357 327.5726 5.243477 328.0547 4.817837 328.5369 4.229208 329.0190 3.679953 329.5011 3.181858 329.9832 2.714802 330.4653 2.265789 330.9474 1.810308 331.4296 1.413572 331.9117 1.090410 332.3938 0.8437750 332.8759 0.6437530 333.3580 0.5201950 333.8401 0.4079210 334.3223 0.2554340 334.8044 3.0222001E-02 335.2865 0.1770130 335.7686 0.3767760 336.2507 0.5538290 336.7328 0.8554360 337.2150 0.5156440 337.6971 0.3151780 338.1792 0.2467270 338.6613 0.7342660 339.1434 0.4854580 339.6255 0.5190030 340.1077 0.5553570 340.5898 0.1767370 341.0719 0.5366540 341.5540 0.1460020 342.0361 4.1976999E-02 342.5182 0.2069070 343.0004 0.1720200 343.4825 0.2372190 343.9646 0.2835710 344.4467 0.4969980 344.9288 0.8499740 345.4109 1.101456 345.8931 1.079708 346.3752 0.8875520 346.8573 0.9913160 347.3394 1.418005 347.8215 1.916420 348.3036 2.237780 348.7858 2.413195 349.2679 2.590677 349.7500 2.799171 350.2321 3.038492 350.7142 3.277937 351.1964 3.524508 351.6785 3.864386 352.1606 4.473204 352.6427 5.199167 353.1248 5.726473 353.6069 5.955517 354.0891 6.129648 354.5712 6.528526 355.0533 7.091326 355.5354 7.652977 356.0175 8.137724 356.4996 8.562935 356.9818 8.906445 357.4639 9.147942 357.9460 9.489481 358.4281 10.23502 358.9102 11.14073 359.3923 11.83963 359.8745 12.02703 360.3566 12.09200 360.8387 12.31476 361.3208 12.67765 361.8029 12.88461 362.2850 12.68420 362.7672 12.32898 363.2493 12.03282 363.7314 12.01861 364.2135 11.86361 364.6956 11.32420 365.1777 10.52179 365.6599 9.838936 366.1420 9.541176 366.6241 9.250343 367.1062 8.768984 367.5883 7.945251 368.0704 7.222145 368.5526 6.749651 369.0347 6.383924 369.5168 5.892986 369.9989 4.965206 370.4810 4.225851 370.9631 3.877529 371.4453 3.990801 371.9274 3.936689 372.4095 3.623857 372.8916 3.221870 373.3737 2.869673 373.8558 2.583897 374.3380 2.314917 374.8201 2.062471 375.3022 1.820528 375.7843 1.559629 376.2664 1.265850 376.7485 0.9775850 377.2307 0.7088660 377.7128 0.4515420 378.1949 0.2544690 378.6770 0.1225720 379.1591 5.2216999E-02 379.6412 6.7176998E-02 380.1234 0.1804220 380.6055 0.2582970 381.0876 0.2392350 381.5697 0.1336120 382.0518 2.4920000E-02 382.5339 0.2525100 383.0161 0.4341700 383.4982 0.3778340 383.9803 0.1343690 384.4624 1.4599000E-02 384.9445 5.3690001E-02 385.4266 0.2225170 385.9088 0.3076670 386.3909 0.3104000 386.8730 0.2485940 387.3551 5.5528998E-02 387.8372 0.1763650 388.3193 0.2711770 388.8015 0.1669040 389.2836 1.9005001E-02 389.7657 5.7085000E-02 390.2478 7.0261002E-02 390.7299 3.3149999E-02 391.2120 8.4738001E-02 391.6942 0.2280310 392.1763 0.3544860 392.6584 0.4541150 393.1405 0.5283390 393.6226 0.5824010 394.1047 0.6130910 394.5869 0.6062950 395.0690 0.4858800 395.5511 0.4726220 396.0332 0.7436870 396.5153 1.194389 396.9974 1.494972 397.4796 1.291311 397.9617 1.066826 398.4438 1.120831 398.9259 1.613634 399.4080 2.072037 399.8901 2.377569 400.3723 2.618187 400.8544 2.928724 401.3365 3.427956 401.8186 3.868217 402.3007 4.180664 402.7828 4.350536 403.2649 4.512764 403.7470 4.611589 404.2292 4.756210 404.7113 5.071186 405.1934 5.641493 405.6755 6.132299 406.1576 6.454336 406.6397 6.673914 407.1219 7.035395 407.6040 7.566980 408.0861 8.129383 408.5682 8.625349 409.0503 9.048889 409.5324 9.577938 410.0146 10.23715 410.4967 10.95113 410.9788 11.58615 411.4609 12.15318 411.9430 12.81168 412.4251 13.63982 412.9073 14.58995 413.3894 15.56096 413.8715 16.56054 414.3536 17.71083 414.8357 19.18707 415.3178 20.89000 415.8000 22.59707 416.2821 24.23617 416.7642 25.95081 417.2463 27.81309 417.7284 29.86490 418.2105 32.16023 418.6927 34.82587 419.1748 37.69888 419.6569 40.62368 420.1390 43.57919 420.6211 46.87063 421.1032 50.66913 421.5854 54.93021 422.0675 59.59948 422.5496 64.93036 423.0317 70.43441 423.5138 76.01195 423.9959 81.64082 424.4781 87.55219 424.9602 93.76026 425.4423 100.1363 425.9244 106.6967 426.4065 113.5971 426.8886 120.2655 427.3708 126.3475 427.8529 132.3958 428.3350 139.3685 428.8171 147.7454 429.2992 156.1255 429.7813 163.8573 430.2635 170.9649 430.7456 179.8013 431.2277 190.7192 431.7098 202.4872 432.1919 213.9862 432.6740 225.1183 433.1562 237.1863 433.6383 250.2988 434.1204 264.4913 434.6025 280.2158 435.0846 297.4359 435.5667 314.6141 436.0489 331.1113 436.5310 347.1129 437.0131 363.4798 437.4952 380.4127 437.9773 396.2220 438.4594 409.9667 438.9416 421.3477 439.4237 429.8312 439.9058 435.9298 440.3879 438.2639 440.8700 435.4603 441.3521 427.8353 441.8343 416.4219 442.3164 400.3771 442.7985 381.6196 443.2806 361.1035 443.7627 338.7714 444.2448 316.4590 444.7270 294.3009 445.2091 273.0091 445.6912 253.5402 446.1733 236.3906 446.6554 220.7081 447.1375 206.5347 447.6197 193.7773 448.1018 182.1549 448.5839 171.7957 449.0660 162.5316 449.5481 154.5150 450.0302 148.4898 450.5124 142.0147 450.9945 134.9542 451.4766 127.5978 451.9587 120.4130 452.4408 113.2940 452.9229 106.5676 453.4051 100.2831 453.8872 94.45012 454.3693 88.55360 454.8514 82.50553 455.3335 76.66876 455.8156 71.20049 456.2978 66.12614 456.7799 61.51223 457.2620 57.35025 457.7441 53.57349 458.2262 50.02467 458.7083 46.74118 459.1905 43.70741 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