#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:44:48 +0300 (Thu, 26 Apr 2018) $ #$Revision: 553 $ #$URL: svn://172.16.1.111/rod/cif/1/00/01/1000100.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_1000100 loop_ _publ_author_name 'Bonazzi, P.' 'Keutsch, F. N.' 'Bindi, L.' _publ_section_title ; Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua polymetallic deposit, Lima Department, Peru: Description and crystal structure ; _journal_name_full 'American Mineralogist' _journal_page_first 1199 _journal_page_last 1205 _journal_paper_doi 10.2138/am.2012.4004 _journal_volume 97 _journal_year 2012 _chemical_compound_source 'Uchucchacua polymetallic deposit, Lima Department, Peru' _chemical_formula_sum 'Ag As Mn S3' _chemical_name_mineral Manganoquadratite _space_group_IT_number 95 _symmetry_space_group_name_Hall 'P 4cw 2c' _symmetry_space_group_name_H-M 'P 43 2 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.4496 _cell_length_b 5.4496 _cell_length_c 32.949 _cell_volume 978.524 _exptl_crystal_density_diffrn 4.533 _cod_original_formula_sum 'Ag Mn As S3' _cod_database_code 9014926 _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 R090021.rod _rod_data_source.block 3500000 _rod_database.code 1000100 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 9014926 COD http://www.crystallography.net/cod/9014926.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 103.4656 0.0000000E+00 103.9478 1.588501 104.4299 2.891602 104.9120 4.272339 105.3941 4.610718 105.8762 4.967041 106.3583 8.809509 106.8405 11.03033 107.3226 11.43927 107.8047 8.844910 108.2868 3.523865 108.7689 0.5726320 109.2510 2.3193000E-02 109.7332 5.227722 110.2153 10.36816 110.6974 16.47699 111.1795 22.32135 111.6616 25.50201 112.1437 24.85626 112.6259 22.36841 113.1080 19.65076 113.5901 17.08588 114.0722 15.21216 114.5543 16.15649 115.0364 19.92322 115.5185 23.56549 116.0007 27.31683 116.4828 30.31610 116.9649 31.75525 117.4470 31.67767 117.9291 30.86005 118.4112 30.18652 118.8934 29.30273 119.3755 29.48450 119.8576 32.15833 120.3397 35.71820 120.8218 38.94128 121.3039 40.45844 121.7861 40.00330 122.2682 37.78058 122.7503 29.52710 123.2324 25.15808 123.7145 26.81573 124.1966 32.08459 124.6788 37.66766 125.1609 40.34552 125.6430 40.53027 126.1251 40.88428 126.6072 42.26385 127.0893 43.20996 127.5715 43.11682 128.0536 42.26239 128.5357 41.37372 129.0178 41.99799 129.4999 43.30200 129.9821 43.64703 130.4642 43.50311 130.9463 42.64539 131.4284 42.15594 131.9105 42.49261 132.3926 42.64789 132.8748 43.19696 133.3569 44.40350 133.8390 46.16754 134.3211 48.41272 134.8032 50.59479 135.2853 51.47034 135.7674 51.02527 136.2496 49.97351 136.7317 47.03308 137.2138 42.90558 137.6959 39.91754 138.1780 39.43115 138.6601 41.98663 139.1423 44.61279 139.6244 48.79761 140.1065 52.29730 140.5886 53.07458 141.0707 51.02985 141.5528 47.81348 142.0350 44.75970 142.5171 41.32983 142.9992 40.06531 143.4813 43.25220 143.9634 46.53119 144.4455 47.13422 144.9277 45.09796 145.4098 43.18628 145.8919 44.34418 146.3740 50.32745 146.8561 55.31030 147.3382 60.15387 147.8204 63.86908 148.3025 65.98181 148.7846 66.44232 149.2667 66.21503 149.7488 68.12836 150.2309 72.00995 150.7131 74.36066 151.1952 73.20740 151.6773 70.43304 152.1594 68.85748 152.6415 69.38873 153.1236 69.78601 153.6058 68.93359 154.0879 66.17542 154.5700 63.59009 155.0521 64.87189 155.5342 69.89990 156.0163 72.89453 156.4985 69.03296 156.9806 63.20612 157.4627 60.10553 157.9448 61.58978 158.4269 64.92072 158.9090 65.20001 159.3912 60.24750 159.8733 56.49402 160.3554 57.31415 160.8375 59.58246 161.3196 62.28070 161.8017 62.16681 162.2839 59.85596 162.7660 56.95685 163.2481 52.41119 163.7302 48.73669 164.2123 46.40540 164.6944 45.06506 165.1766 44.31812 165.6587 43.94293 166.1408 43.88715 166.6229 43.93085 167.1050 45.39240 167.5871 45.77173 168.0693 43.54749 168.5514 39.80939 169.0335 36.72888 169.5156 35.83380 169.9977 36.95502 170.4798 37.13538 170.9620 35.14343 171.4441 33.53857 171.9262 33.95844 172.4083 36.03320 172.8904 37.92334 173.3725 38.27972 173.8547 37.11890 174.3368 35.92377 174.8189 35.02405 175.3010 33.84967 175.7831 31.40015 176.2652 27.57886 176.7474 24.55316 177.2295 24.72510 177.7116 26.97266 178.1937 28.51062 178.6758 28.47778 179.1579 27.50684 179.6401 26.50793 180.1222 25.50580 180.6043 24.32654 181.0864 23.18964 181.5685 21.85693 182.0506 19.71063 182.5328 15.66327 183.0149 10.64032 183.4970 7.753052 183.9791 8.393250 184.4612 9.151550 184.9433 8.831665 185.4255 7.555237 185.9076 5.460571 186.3897 2.255920 186.8718 1.846130 187.3539 4.528870 187.8360 4.813721 188.3182 4.548706 188.8003 3.525452 189.2824 2.348328 189.7645 2.162781 190.2466 4.140747 190.7287 8.430237 191.2109 11.09717 191.6930 10.63837 192.1751 10.02069 192.6572 10.01245 193.1393 10.65601 193.6214 11.65253 194.1036 12.69617 194.5857 13.66553 195.0678 15.93842 195.5499 21.44482 196.0320 26.20160 196.5141 28.20862 196.9963 27.58008 197.4784 25.46613 197.9605 22.68799 198.4426 19.05573 198.9247 17.26355 199.4068 19.05463 199.8890 21.22168 200.3711 21.99481 200.8532 21.11877 201.3353 18.58673 201.8174 13.35223 202.2995 5.383545 202.7817 2.120056 203.2638 7.836182 203.7459 16.05231 204.2280 20.70605 204.7101 21.10577 205.1922 19.99426 205.6744 19.68823 206.1565 19.93994 206.6386 19.49921 207.1207 16.62201 207.6028 13.47601 208.0849 13.71295 208.5671 18.48981 209.0492 23.24548 209.5313 24.13312 210.0134 22.28857 210.4955 19.63660 210.9776 15.87988 211.4598 11.91156 211.9419 9.757141 212.4240 9.892822 212.9061 10.95477 213.3882 12.98297 213.8703 15.24475 214.3525 16.33344 214.8346 15.33917 215.3167 12.54895 215.7988 8.836792 216.2809 2.355591 216.7630 2.030762 217.2451 0.5222170 217.7273 4.075562 218.2094 6.741821 218.6915 3.965942 219.1736 3.203857 219.6557 8.627930 220.1378 11.35132 220.6200 13.14709 221.1021 13.55725 221.5842 13.54150 222.0663 14.80884 222.5484 18.83923 223.0305 25.16321 223.5127 29.02771 223.9948 26.97302 224.4769 25.94556 224.9590 28.15234 225.4411 32.35034 225.9232 36.22913 226.4054 38.21265 226.8875 38.50183 227.3696 39.82288 227.8517 41.81482 228.3338 45.36841 228.8159 51.22656 229.2981 58.72925 229.7802 66.81458 230.2623 74.90857 230.7444 82.99622 231.2265 90.70117 231.7086 99.50891 232.1908 106.3204 232.6729 109.6647 233.1550 110.4592 233.6371 109.8721 234.1192 108.1101 234.6013 105.9645 235.0835 109.8290 235.5656 125.4438 236.0477 139.7228 236.5298 146.9467 237.0119 149.7704 237.4940 154.7844 237.9762 166.1951 238.4583 182.0339 238.9404 192.9969 239.4225 195.4126 239.9046 197.9797 240.3867 203.3915 240.8689 211.0093 241.3510 219.6246 241.8331 229.0319 242.3152 238.9497 242.7973 248.4706 243.2794 256.7308 243.7616 265.7915 244.2437 277.2455 244.7258 290.1646 245.2079 301.5914 245.6900 309.3907 246.1721 316.4491 246.6543 329.0751 247.1364 349.2847 247.6185 368.8192 248.1006 382.0862 248.5827 390.6827 249.0648 401.0856 249.5470 415.7726 250.0291 433.5237 250.5112 452.5487 250.9933 473.2167 251.4754 493.0142 251.9576 510.0452 252.4397 524.8975 252.9218 540.7964 253.4039 558.8934 253.8860 577.4493 254.3681 593.8242 254.8503 608.1740 255.3324 624.2777 255.8145 644.8363 256.2966 669.2780 256.7787 694.5753 257.2608 720.6495 257.7430 746.4650 258.2251 771.4460 258.7072 795.6614 259.1893 819.0985 259.6714 840.3989 260.1535 860.4822 260.6357 884.3950 261.1178 914.3464 261.5999 945.0850 262.0820 973.6611 262.5641 1000.671 263.0462 1027.472 263.5284 1054.371 264.0105 1081.439 264.4926 1110.060 264.9747 1140.483 265.4568 1172.289 265.9389 1205.979 266.4211 1240.435 266.9032 1273.436 267.3853 1303.124 267.8674 1330.561 268.3495 1360.473 268.8316 1394.465 269.3138 1428.738 269.7959 1463.444 270.2780 1497.091 270.7601 1527.272 271.2422 1552.081 271.7243 1573.181 272.2065 1595.825 272.6886 1620.959 273.1707 1646.097 273.6528 1670.171 274.1349 1694.091 274.6170 1718.688 275.0992 1744.532 275.5813 1770.928 276.0634 1796.062 276.5455 1820.066 277.0276 1842.710 277.5097 1864.848 277.9919 1885.455 278.4740 1903.533 278.9561 1918.812 279.4382 1931.726 279.9203 1942.760 280.4024 1949.927 280.8846 1959.451 281.3667 1975.669 281.8488 1991.747 282.3309 2002.145 282.8130 2005.685 283.2951 2005.661 283.7773 2006.539 284.2594 2008.018 284.7415 2011.315 285.2236 2018.840 285.7057 2026.127 286.1878 2030.366 286.6700 2031.336 287.1521 2030.827 287.6342 2030.994 288.1163 2032.443 288.5984 2032.048 289.0805 2028.961 289.5627 2024.966 290.0448 2019.463 290.5269 2013.412 291.0090 2009.601 291.4911 2011.461 291.9732 2019.945 292.4554 2021.764 292.9375 2009.124 293.4196 1997.676 293.9017 1993.290 294.3838 1994.169 294.8659 1995.614 295.3481 1994.338 295.8302 1990.531 296.3123 1986.949 296.7944 1983.234 297.2765 1980.167 297.7586 1977.538 298.2408 1975.746 298.7229 1975.621 299.2050 1977.696 299.6871 1981.368 300.1692 1984.301 300.6513 1985.794 301.1335 1987.342 301.6156 1988.301 302.0977 1989.703 302.5798 1993.064 303.0619 1998.936 303.5440 2005.914 304.0262 2011.018 304.5083 2012.427 304.9904 2014.567 305.4725 2017.666 305.9546 2021.348 306.4367 2026.135 306.9189 2031.792 307.4010 2036.382 307.8831 2036.791 308.3652 2030.113 308.8473 2026.842 309.3294 2031.508 309.8116 2035.338 310.2937 2033.930 310.7758 2026.541 311.2579 2013.857 311.7400 1996.266 312.2221 1972.871 312.7043 1949.525 313.1864 1927.549 313.6685 1904.250 314.1506 1878.618 314.6327 1850.689 315.1148 1820.591 315.5970 1788.335 316.0791 1754.118 316.5612 1720.644 317.0433 1691.547 317.5254 1658.964 318.0075 1618.509 318.4897 1574.371 318.9718 1532.922 319.4539 1497.471 319.9360 1466.203 320.4181 1432.938 320.9002 1396.376 321.3824 1359.286 321.8645 1320.531 322.3466 1282.234 322.8287 1245.403 323.3108 1210.773 323.7929 1178.980 324.2751 1152.028 324.7572 1133.656 325.2393 1112.436 325.7214 1086.669 326.2035 1060.083 326.6856 1034.533 327.1678 1010.255 327.6499 986.4540 328.1320 962.0456 328.6141 936.1081 329.0962 915.6756 329.5783 904.9710 330.0605 894.5793 330.5426 880.5577 331.0247 863.2350 331.5068 844.7560 331.9889 826.5985 332.4710 809.0904 332.9532 794.4534 333.4353 783.7459 333.9174 774.6832 334.3995 768.0120 334.8816 762.4957 335.3637 756.5315 335.8459 749.3392 336.3280 741.0444 336.8101 732.6822 337.2922 724.0265 337.7743 715.6695 338.2564 706.7285 338.7386 698.8788 339.2206 694.3220 339.7028 693.1695 340.1849 692.7353 340.6670 688.8126 341.1491 679.2581 341.6312 671.7509 342.1133 668.5778 342.5955 665.3051 343.0776 659.2020 343.5597 650.5743 344.0418 641.6838 344.5239 634.5713 345.0060 629.1786 345.4882 622.9965 345.9703 614.3916 346.4524 606.8371 346.9345 600.7229 347.4166 596.4655 347.8987 594.8355 348.3809 596.5961 348.8630 600.6953 349.3451 602.9230 349.8272 600.4837 350.3093 600.6769 350.7914 606.6847 351.2736 614.7422 351.7557 621.1950 352.2378 624.7806 352.7199 626.6059 353.2020 628.4880 353.6841 630.6562 354.1663 632.1384 354.6484 633.6521 355.1305 633.9060 355.6126 631.9880 356.0947 627.8583 356.5768 622.1929 357.0590 616.4047 357.5411 610.7733 358.0232 600.4006 358.5053 583.0803 358.9874 562.8470 359.4695 541.0904 359.9517 518.0225 360.4338 493.7438 360.9159 467.7603 361.3980 440.9965 361.8801 416.1079 362.3622 394.3859 362.8444 371.9399 363.3265 345.8484 363.8086 319.0726 364.2907 294.6910 364.7728 273.5801 365.2549 254.4370 365.7371 235.8869 366.2192 217.9077 366.7013 199.8032 367.1834 180.5535 367.6655 161.8813 368.1476 145.0159 368.6298 129.9268 369.1119 116.0982 369.5940 103.7108 370.0761 92.44287 370.5582 80.78369 371.0403 68.15442 371.5225 56.00989 372.0046 45.21680 372.4867 35.60858 372.9688 26.73785 373.4509 18.77185 373.9330 11.32056 374.4152 3.773132 374.8973 3.876587 375.3794 11.22729 375.8615 18.37830 376.3436 24.84708 376.8257 30.04828 377.3079 33.93347 377.7900 36.55231 378.2721 37.25586 378.7542 36.52652 379.2363 36.61847 379.7184 38.58871 380.2006 40.91919 380.6827 41.82037 381.1648 41.37820 381.6469 40.01498 382.1290 36.47717 382.6111 32.66559 383.0933 31.87216 383.5754 34.62997 384.0575 37.29761 384.5396 36.59772 385.0217 33.03336 385.5038 31.25317 385.9860 33.34314 386.4681 35.47394 386.9502 35.50409 387.4323 33.63071 387.9144 30.40512 388.3965 25.64606 388.8787 20.34857 389.3608 17.37204 389.8429 17.60843 390.3250 17.76724 390.8071 17.28107 391.2892 16.32263 391.7714 15.19931 392.2535 13.96384 392.7356 12.20444 393.2177 9.300568 393.6998 4.891418 394.1819 1.045227 394.6641 3.035431 395.1462 5.925201 395.6283 5.827789 396.1104 3.690460 396.5925 2.307678 397.0746 3.520569 397.5568 6.913391 398.0389 10.11301 398.5210 12.91809 399.0031 15.77435 399.4852 19.48804 399.9673 22.93765 400.4495 24.16284 400.9316 22.78522 401.4137 21.30359 401.8958 23.96921 402.3779 33.44385 402.8600 39.79175 403.3422 42.00146 403.8243 42.46259 404.3064 41.18384 404.7885 39.06238 405.2706 38.01569 405.7527 39.71591 406.2349 43.75290 406.7170 46.90820 407.1991 48.29315 407.6812 50.06961 408.1633 53.04080 408.6454 56.50058 409.1276 59.72217 409.6097 62.44714 410.0918 64.76752 410.5739 66.98383 411.0560 69.29770 411.5381 70.45566 412.0203 68.62021 412.5024 66.90698 412.9845 67.62869 413.4666 70.39735 413.9487 72.78854 414.4308 71.73804 414.9130 68.78339 415.3951 70.56114 415.8772 79.26123 416.3593 87.29709 416.8414 90.04437 417.3235 89.74231 417.8057 88.87288 418.2878 87.45212 418.7699 86.79071 419.2520 88.97824 419.7341 93.60895 420.2162 96.67072 420.6984 96.28799 421.1805 94.73007 421.6626 94.91057 422.1447 96.78137 422.6268 98.87335 423.1089 100.9106 423.5911 102.7456 424.0732 103.9960 424.5553 104.6141 425.0374 105.3784 425.5195 106.8749 426.0016 109.0657 426.4838 111.3815 426.9659 114.4370 427.4480 116.9553 427.9301 118.0598 428.4122 118.2002 428.8943 118.2168 429.3765 118.3884 429.8586 118.9829 430.3407 120.5998 430.8228 124.5164 431.3049 126.4492 431.7870 124.1525 432.2692 121.5530 432.7513 121.7125 433.2334 124.3698 433.7155 127.1574 434.1976 128.1917 434.6797 127.6138 435.1619 127.2841 435.6440 128.8221 436.1261 128.9213 436.6082 125.9693 437.0903 121.7715 437.5724 118.3750 438.0546 116.5211 438.5367 115.4487 439.0188 113.9335 439.5009 111.9030 439.9830 110.0311 440.4651 108.7956 440.9473 107.1370 441.4294 103.4840 441.9115 98.74960 442.3936 95.70615 442.8757 96.84818 443.3578 100.5868 443.8400 101.3137 444.3221 97.64709 444.8042 94.52518 445.2863 95.19513 445.7684 96.69820 446.2505 96.11026 446.7327 92.75905 447.2148 88.75407 447.6969 86.08829 448.1790 84.40355 448.6611 81.27597 449.1432 75.34488 449.6254 69.97614 450.1075 68.79793 450.5896 70.67398 451.0717 72.30676 451.5538 73.36769 452.0359 73.51334 452.5181 71.77950 453.0002 68.42110 453.4823 65.69142 453.9644 64.72278 454.4465 64.78140 454.9286 64.32159 455.4108 63.39275 455.8929 62.41035 456.3750 61.36688 456.8571 60.32359 457.3392 59.47568 457.8214 58.78430 458.3035 57.81519 458.7856 56.11867 459.2677 53.67229 459.7498 51.47179 460.2319 48.80273 460.7141 47.43539 461.1962 48.84035 461.6783 51.40569 462.1604 52.74771 462.6425 51.97377 463.1246 50.27795 463.6068 49.81253 464.0889 51.38953 464.5710 52.21922 465.0531 51.71417 465.5352 50.99844 466.0173 50.58531 466.4995 50.43813 466.9816 50.36156 467.4637 50.35596 467.9458 50.14539 468.4279 48.45428 468.9100 44.04317 469.3922 41.37051 469.8743 44.18448 470.3564 47.71596 470.8385 47.67799 471.3206 43.51274 471.8027 39.05968 472.2849 37.11093 472.7670 37.21098 473.2491 38.23573 473.7312 40.79460 474.2133 42.63940 474.6954 41.38075 475.1776 38.15155 475.6597 35.52023 476.1418 33.54135 476.6239 32.68857 477.1060 34.23605 477.5881 37.30545 478.0703 39.12492 478.5524 38.60724 479.0345 36.95830 479.5166 35.80547 479.9987 35.23058 480.4808 35.22691 480.9630 35.86084 481.4451 36.82047 481.9272 38.81224 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