#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:41:04 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1224 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000636.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_1000636 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 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 R060097.rod _rod_data_source.block 3500000 _rod_database.code 1000636 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 108.8945 0.0000000E+00 109.3766 9.5656998E-02 109.8588 0.3060460 110.3409 0.2752510 110.8230 4.0004998E-02 111.3051 8.1528001E-02 111.7872 0.3134350 112.2693 0.9751720 112.7515 1.625668 113.2336 2.134319 113.7157 2.723883 114.1978 3.674044 114.6799 4.970362 115.1620 6.394777 115.6442 7.869921 116.1263 9.388214 116.6084 10.77044 117.0905 11.96006 117.5726 12.98466 118.0547 13.88026 118.5369 14.65148 119.0190 15.27662 119.5011 15.67428 119.9832 15.66833 120.4653 15.86997 120.9474 16.44449 121.4296 17.16810 121.9117 17.85128 122.3938 18.41450 122.8759 18.91237 123.3580 19.52834 123.8401 20.31953 124.3223 21.19444 124.8044 22.18161 125.2865 23.24671 125.7686 24.33868 126.2507 25.43831 126.7328 26.54441 127.2150 27.65780 127.6971 28.86942 128.1792 30.03984 128.6613 31.05022 129.1434 31.99983 129.6255 33.04412 130.1077 34.29390 130.5898 35.75108 131.0719 37.20613 131.5540 38.53728 132.0361 39.81903 132.5182 41.14486 133.0004 42.52681 133.4825 43.98051 133.9646 45.67434 134.4467 47.60209 134.9288 49.67900 135.4109 52.33481 135.8931 55.18070 136.3752 56.95578 136.8573 57.81134 137.3394 57.05228 137.8215 54.28094 138.3036 49.77433 138.7858 44.39286 139.2679 38.46818 139.7500 31.84061 140.2321 25.97079 140.7142 20.92792 141.1963 16.62218 141.6785 13.12047 142.1606 10.39401 142.6427 8.271008 143.1248 6.587702 143.6069 5.509768 144.0890 4.545235 144.5712 3.668833 145.0533 2.899073 145.5354 2.240246 146.0175 1.698643 146.4996 1.271322 146.9817 0.9617520 147.4639 0.8803390 147.9460 0.7456170 148.4281 0.4908940 148.9102 0.1927240 149.3923 4.9300998E-02 149.8744 0.1936040 150.3566 0.2778760 150.8387 0.3943810 151.3208 0.5694730 151.8029 0.7112240 152.2850 0.7896920 152.7671 0.8087410 153.2493 0.7714900 153.7314 0.6524930 154.2135 0.4982600 154.6956 0.3911150 155.1777 0.3395000 155.6598 0.3160670 156.1420 0.3340090 156.6241 0.3999560 157.1062 0.3834670 157.5883 0.1796590 158.0704 0.1152630 158.5525 0.4421920 159.0347 0.8027590 159.5168 1.144783 159.9989 1.359301 160.4810 1.353394 160.9631 1.453876 161.4452 1.877115 161.9274 2.384653 162.4095 2.737040 162.8916 2.811020 163.3737 2.703581 163.8558 2.737267 164.3379 3.092737 164.8201 3.355326 165.3022 3.368820 165.7843 3.273392 166.2664 3.254478 166.7485 3.464319 167.2306 3.841599 167.7128 4.183565 168.1949 4.502439 168.6770 4.773218 169.1591 4.932215 169.6412 5.040466 170.1233 5.225409 170.6055 5.592016 171.0876 6.134224 171.5697 6.514692 172.0518 6.654362 172.5339 6.743752 173.0160 6.831871 173.4982 6.934799 173.9803 7.100397 174.4624 7.389973 174.9445 7.793562 175.4266 8.108952 175.9087 8.266796 176.3909 8.385363 176.8730 8.546888 177.3551 8.756216 177.8372 9.019009 178.3193 9.428446 178.8014 9.904924 179.2836 10.19127 179.7657 10.13434 180.2478 9.890779 180.7299 9.699099 181.2120 9.596468 181.6941 9.456999 182.1763 9.202414 182.6584 8.855164 183.1405 8.440886 183.6226 7.933569 184.1047 7.367512 184.5868 6.848871 185.0690 6.383175 185.5511 5.967716 186.0332 5.599295 186.5153 5.271281 186.9974 4.965441 187.4795 4.655733 187.9617 4.348383 188.4438 4.145416 188.9259 4.102307 189.4080 4.121059 189.8901 4.189726 190.3722 4.295898 190.8544 4.418655 191.3365 4.534466 191.8186 4.638953 192.3007 4.819103 192.7828 5.054945 193.2649 5.384554 193.7471 5.809940 194.2292 6.339634 194.7113 6.997008 195.1934 7.806162 195.6755 8.789150 196.1576 9.820394 196.6398 10.81961 197.1219 11.92153 197.6040 13.18259 198.0861 14.60573 198.5682 16.17946 199.0503 17.88672 199.5325 19.73718 200.0146 21.75384 200.4967 23.93991 200.9788 26.26784 201.4609 28.72031 201.9430 31.30407 202.4252 34.03357 202.9073 36.98318 203.3894 40.17855 203.8715 43.17854 204.3536 45.98795 204.8357 48.58865 205.3179 50.94466 205.8000 53.05463 206.2821 54.97920 206.7642 56.71427 207.2463 58.29108 207.7284 59.90186 208.2106 61.60336 208.6927 63.35608 209.1748 65.10275 209.6569 66.84705 210.1390 68.60053 210.6211 70.33692 211.1033 72.08860 211.5854 73.96021 212.0675 76.07168 212.5496 78.32485 213.0317 80.53030 213.5138 82.68752 213.9960 84.74364 214.4781 86.56979 214.9602 88.27974 215.4423 90.12455 215.9244 92.34055 216.4065 94.79697 216.8886 96.97279 217.3708 98.79849 217.8529 100.4142 218.3350 101.8825 218.8171 103.2249 219.2992 104.5024 219.7813 105.8305 220.2635 107.1428 220.7456 107.9610 221.2277 108.1300 221.7098 107.9065 222.1919 107.6128 222.6740 107.0093 223.1562 105.6929 223.6383 103.3937 224.1204 100.1339 224.6025 96.15996 225.0846 91.01138 225.5667 85.57151 226.0489 79.80382 226.5310 73.88352 227.0131 68.05403 227.4952 62.41758 227.9773 57.01859 228.4594 52.05304 228.9416 47.66053 229.4237 43.61498 229.9058 39.92207 230.3879 36.54940 230.8700 33.50003 231.3521 30.76784 231.8343 28.34035 232.3164 26.11851 232.7985 24.11821 233.2806 22.28463 233.7627 20.61631 234.2448 19.10181 234.7270 17.72685 235.2091 16.49177 235.6912 15.38374 236.1733 14.28959 236.6554 13.10621 237.1375 12.03307 237.6197 11.17747 238.1018 10.48371 238.5839 9.813682 239.0660 9.085667 239.5481 8.321082 240.0302 7.637784 240.5124 7.018343 240.9945 6.479832 241.4766 6.075609 241.9587 5.763872 242.4408 5.445300 242.9229 5.071456 243.4051 4.650072 243.8872 4.202631 244.3693 3.668011 244.8514 3.195364 245.3335 2.864365 245.8156 2.651869 246.2978 2.494809 246.7799 2.381058 247.2620 2.292000 247.7441 2.186865 248.2262 2.069616 248.7083 1.932281 249.1905 1.771400 249.6726 1.587717 250.1547 1.373091 250.6368 1.098623 251.1189 0.8212030 251.6010 0.6273430 252.0832 0.5248790 252.5653 0.4524140 253.0474 0.3688960 253.5295 0.2838060 254.0116 0.2480410 254.4937 0.3207520 254.9759 0.3913780 255.4580 0.3188350 255.9401 9.8325998E-02 256.4222 0.1145820 256.9043 0.2128180 257.3864 0.2163480 257.8686 0.2238720 258.3507 0.2391350 258.8328 0.2848300 259.3149 0.4008720 259.7970 0.5760270 260.2791 0.7140840 260.7613 0.7374400 261.2434 0.6642580 261.7255 0.5988640 262.2076 0.5672530 262.6897 0.5231930 263.1718 0.4423860 263.6540 0.3273360 264.1361 0.1874470 264.6182 9.8839998E-03 265.1003 0.2424130 265.5824 0.3665740 266.0645 0.2964100 266.5467 0.2319930 267.0288 0.2530120 267.5109 0.3541260 267.9930 0.5320530 268.4751 0.8099970 268.9572 1.154928 269.4394 1.409666 269.9215 1.498277 270.4036 1.611394 270.8857 1.844233 271.3678 2.143362 271.8499 2.422671 272.3321 2.629359 272.8142 2.788999 273.2963 2.970865 273.7784 3.150609 274.2605 3.399351 274.7426 3.720025 275.2248 4.113111 275.7069 4.592947 276.1890 5.179610 276.6711 5.818970 277.1532 6.357448 277.6353 6.720058 278.1175 7.122513 278.5996 7.566410 279.0817 8.081139 279.5638 8.704923 280.0459 9.454768 280.5280 10.28755 281.0102 11.13069 281.4923 11.97492 281.9744 12.84501 282.4565 13.66086 282.9386 14.54639 283.4207 15.64118 283.9029 16.96511 284.3850 18.35793 284.8671 19.56525 285.3492 20.49011 285.8313 21.46516 286.3134 22.55529 286.7956 23.65327 287.2777 24.70574 287.7598 25.69700 288.2419 26.63939 288.7240 27.54370 289.2061 28.38644 289.6883 29.25616 290.1704 30.22909 290.6525 31.15727 291.1346 31.91705 291.6167 32.54906 292.0988 33.20991 292.5810 34.06083 293.0631 35.12523 293.5452 36.10923 294.0273 36.91290 294.5094 37.73852 294.9915 38.68678 295.4737 39.71353 295.9558 40.71419 296.4379 41.61164 296.9200 42.41364 297.4021 43.18847 297.8842 43.92694 298.3664 44.64837 298.8485 45.38054 299.3306 46.09260 299.8127 46.74000 300.2948 47.29760 300.7769 47.76244 301.2591 48.12033 301.7412 48.50456 302.2233 48.58429 302.7054 48.29997 303.1875 47.71235 303.6696 46.88814 304.1518 45.85591 304.6339 44.59739 305.1160 43.05041 305.5981 41.19792 306.0802 39.03804 306.5623 36.44017 307.0445 33.65018 307.5266 30.79717 308.0087 27.94313 308.4908 25.13154 308.9729 22.39474 309.4550 19.58747 309.9372 17.28561 310.4193 15.68846 310.9014 14.32970 311.3835 12.93860 311.8656 11.49304 312.3477 10.12980 312.8299 9.000220 313.3120 8.120943 313.7941 7.318539 314.2762 6.565207 314.7583 5.890608 315.2404 5.313192 315.7226 4.826681 316.2047 4.421320 316.6868 4.098636 317.1689 3.847904 317.6510 3.563756 318.1331 3.209476 318.6153 2.869707 319.0974 2.598851 319.5795 2.360403 320.0616 2.068609 320.5437 1.667141 321.0258 1.211653 321.5080 0.9141240 321.9901 0.9496580 322.4722 0.9671360 322.9543 0.9692080 323.4364 0.9136910 323.9185 0.7293030 324.4007 0.4059030 324.8828 4.3189999E-02 325.3649 0.1811120 325.8470 0.1852500 326.3291 0.1725150 326.8112 0.1381550 327.2934 0.1075160 327.7755 0.1060700 328.2576 0.1291160 328.7397 0.1429290 329.2218 0.1075440 329.7039 5.2129999E-03 330.1861 5.9978001E-02 330.6682 5.2643999E-02 331.1503 3.7199002E-02 331.6324 4.3414999E-02 332.1145 7.1519002E-02 332.5966 0.1223730 333.0788 0.1902090 333.5609 0.2611530 334.0430 0.2892510 334.5251 0.1804100 335.0072 0.1326070 335.4893 0.2088610 335.9715 0.3624720 336.4536 0.5308800 336.9357 0.6826660 337.4178 0.8235110 337.8999 0.9601120 338.3820 1.039768 338.8642 1.200322 339.3463 1.546977 339.8284 1.920435 340.3105 2.156786 340.7926 2.219827 341.2747 2.222420 341.7568 2.337993 342.2390 2.611725 342.7211 2.889057 343.2032 3.201978 343.6853 3.490826 344.1674 3.696342 344.6495 3.835418 345.1317 3.987960 345.6138 4.239336 346.0959 4.598789 346.5780 4.900689 347.0601 5.091763 347.5422 5.273061 348.0244 5.476622 348.5065 5.688867 348.9886 5.876234 349.4707 6.011534 349.9528 6.117164 350.4349 6.280594 350.9171 6.516815 351.3992 6.797737 351.8813 7.176460 352.3634 7.563538 352.8455 7.870776 353.3276 8.068491 353.8098 8.182596 354.2919 8.227855 354.7740 8.145620 355.2561 8.176725 355.7382 8.472343 356.2203 8.789895 356.7025 8.993858 357.1846 9.072725 357.6667 9.092505 358.1488 9.116886 358.6309 9.147902 359.1130 9.134685 359.5952 9.107299 360.0773 8.991154 360.5594 8.732948 361.0415 8.369900 361.5236 7.975492 362.0057 7.586033 362.4879 7.199709 362.9700 6.804243 363.4521 6.399180 363.9342 5.990087 364.4163 5.567817 364.8984 5.147221 365.3806 4.741289 365.8627 4.350931 366.3448 3.981436 366.8269 3.637933 367.3090 3.318691 367.7911 3.029392 368.2733 2.803918 368.7554 2.582883 369.2375 2.306758 369.7196 1.978334 370.2017 1.677023 370.6838 1.470391 371.1660 1.342722 371.6481 1.231440 372.1302 1.158030 372.6123 1.051128 373.0944 0.8167050 373.5765 0.5153880 374.0587 0.2819930 374.5408 0.1950770 375.0229 0.1862660 375.5050 0.1678090 375.9871 0.1415100 376.4692 8.8064000E-02 376.9514 4.8028000E-02 377.4335 0.1930710 377.9156 0.2275010 378.3977 0.1001800 378.8798 2.9172000E-02 379.3619 2.0445000E-02 379.8441 9.1748998E-02 380.3262 0.1521170 380.8083 0.1036260 381.2904 1.4165000E-02 381.7725 4.7632001E-02 382.2546 8.4912002E-02 382.7368 6.8735003E-02 383.2189 7.3400997E-02 383.7010 0.2517240 384.1831 0.3407060 384.6652 0.3235370 385.1473 0.2736700 385.6295 0.2444430 386.1116 0.2335840 386.5937 0.2139580 387.0758 0.1999370 387.5579 0.1559610 388.0400 1.9760000E-02 388.5222 0.1686000 389.0043 0.2616000 389.4864 0.1647720 389.9685 2.5464000E-02 390.4506 5.1208001E-02 390.9327 0.1755890 391.4149 0.3359840 391.8970 0.2834870 392.3791 0.1661860 392.8612 0.1838000 393.3433 0.3755430 393.8254 0.5976530 394.3076 0.6785150 394.7897 0.5783480 395.2718 0.5476920 395.7539 0.6241980 396.2360 0.7288760 396.7181 0.8349250 397.2003 0.9336810 397.6824 1.005727 398.1645 1.032939 398.6466 1.033785 399.1287 1.104790 399.6108 1.310727 400.0930 1.509939 400.5751 1.693369 401.0572 1.861116 401.5393 2.021674 402.0214 2.175075 402.5035 2.302677 402.9857 2.362494 403.4678 2.289584 403.9499 2.341558 404.4320 2.616652 404.9141 2.909732 405.3962 3.099832 405.8784 3.215315 406.3605 3.366099 406.8426 3.638616 407.3247 4.015513 407.8068 4.361290 408.2889 4.644498 408.7711 4.938739 409.2532 5.275567 409.7353 5.623516 410.2174 5.926123 410.6995 6.162674 411.1816 6.422409 411.6638 6.835956 412.1459 7.413821 412.6280 8.082116 413.1101 8.930157 413.5922 9.783218 414.0743 10.48109 414.5565 11.07028 415.0386 11.76958 415.5207 12.76406 416.0028 13.98504 416.4849 15.15326 416.9670 16.18108 417.4492 17.37766 417.9313 18.97785 418.4134 20.81890 418.8955 22.71321 419.3776 24.60312 419.8597 26.57240 420.3419 28.75094 420.8240 31.11783 421.3061 33.49846 421.7882 35.88845 422.2703 38.19489 422.7524 40.24912 423.2346 42.07534 423.7167 43.93092 424.1988 45.93151 424.6809 48.00294 425.1630 50.11385 425.6451 52.25364 426.1273 54.23800 426.6094 55.83766 427.0915 57.15033 427.5736 58.74642 428.0557 60.82048 428.5378 62.95527 429.0200 64.90569 429.5021 66.79144 429.9842 68.86960 430.4663 71.24931 430.9484 73.76203 431.4305 76.12504 431.9127 78.22121 432.3948 80.47276 432.8769 83.17261 433.3590 85.79054 433.8411 87.98440 434.3232 89.73045 434.8054 91.15333 435.2875 92.32349 435.7696 93.26087 436.2517 94.12796 436.7338 95.21687 437.2159 95.86502 437.6981 95.90662 438.1802 95.48836 438.6623 94.82241 439.1444 93.96098 439.6265 92.70805 440.1086 90.71830 440.5908 87.80483 441.0729 84.76498 441.5550 81.53407 442.0371 78.20435 442.5192 74.61814 443.0013 70.96439 443.4835 67.69381 443.9656 65.18309 444.4477 63.20386 444.9298 61.06608 445.4119 58.61030 445.8940 56.39132 446.3762 54.75939 446.8583 53.33013 447.3404 51.78107 447.8225 50.04279 448.3046 48.37218 448.7867 47.14374 449.2689 46.22312 449.7510 44.94249 450.2331 43.17081 450.7152 41.14500 451.1973 38.97157 451.6794 36.69227 452.1616 34.37923 452.6437 31.94258 453.1258 29.56630 453.6079 27.47014 454.0900 25.62255 454.5721 23.83631 455.0543 22.02405 455.5364 20.24219 456.0185 18.60261 456.5006 17.10247 456.9827 15.71837 457.4648 14.39144 457.9470 13.21022 458.4291 12.33261 458.9112 11.74830 459.3933 11.18803 459.8754 10.40589 460.3575 9.412096 460.8397 8.640853 461.3218 8.190384 461.8039 7.805886 462.2860 7.469436 462.7681 7.142557 463.2502 6.771326 463.7324 6.339225 464.2145 5.892984 464.6966 5.501942 465.1787 5.168092 465.6608 4.893251 466.1429 4.744423 466.6251 4.587245 467.1072 4.343049 467.5893 4.040913 468.0714 3.755490 468.5535 3.531033 469.0356 3.356657 469.5178 3.201213 469.9999 3.065004 470.4820 2.945690 470.9641 2.865390 471.4462 2.785974 471.9283 2.673958 472.4105 2.526893 472.8926 2.378188 473.3747 2.262496 473.8568 2.166821 474.3389 2.038606 474.8210 1.862307 475.3032 1.690010 475.7853 1.550942 476.2674 1.441311 476.7495 1.363731 477.2316 1.352980 477.7137 1.322373 478.1959 1.170505 478.6780 0.9486990 479.1601 0.8100520 479.6422 0.8099380 480.1243 0.8727500 480.6064 0.9167580 481.0886 0.9473430 481.5707 0.9051690 482.0528 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