#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:47:49 +0300 (Thu, 24 May 2018) $ #$Revision: 778 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000276.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_1000276 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 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 R090021.rod _rod_data_source.block 3500000 _rod_database.code 1000276 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 194.0990 0.0000000E+00 194.5811 2.450195 195.0633 2.853027 195.5454 7.397461 196.0275 13.98193 196.5096 24.80908 196.9917 43.54688 197.4738 50.72705 197.9560 44.55762 198.4381 26.07080 198.9202 14.94482 199.4023 11.37891 199.8844 13.72363 200.3665 19.22559 200.8487 30.02002 201.3308 40.70947 201.8129 45.23047 202.2950 37.81641 202.7771 31.89453 203.2592 31.24170 203.7414 36.50684 204.2235 38.69287 204.7056 42.99512 205.1877 46.79395 205.6698 45.56299 206.1519 42.14258 206.6341 38.94531 207.1162 33.93506 207.5983 25.89209 208.0804 19.06836 208.5625 15.72949 209.0446 14.93652 209.5268 15.48877 210.0089 20.91748 210.4910 25.02100 210.9731 27.55908 211.4552 28.29053 211.9373 24.53271 212.4195 15.94336 212.9016 8.677734 213.3837 6.618164 213.8658 11.28125 214.3479 12.41016 214.8300 8.335449 215.3121 1.682617 215.7943 0.8403320 216.2764 2.137207 216.7585 6.078125 217.2406 9.638672 217.7227 13.71387 218.2048 13.17725 218.6870 4.835449 219.1691 6.710449 219.6512 9.465332 220.1333 2.083984 220.6154 12.18896 221.0975 13.81006 221.5797 3.585938 222.0618 5.660645 222.5439 14.48438 223.0260 21.93945 223.5081 25.45410 223.9902 22.56592 224.4724 19.73389 224.9545 20.07031 225.4366 25.21143 225.9187 28.06445 226.4008 27.75781 226.8829 25.42480 227.3651 23.68750 227.8472 23.56299 228.3293 22.21680 228.8114 18.25928 229.2935 10.62500 229.7757 3.763672 230.2578 3.151855 230.7399 8.619141 231.2220 9.158203 231.7041 0.5751950 232.1862 6.529297 232.6684 8.455566 233.1505 4.376465 233.6326 2.320313 234.1147 13.26562 234.5968 25.93506 235.0789 35.31641 235.5611 39.82520 236.0432 43.65967 236.5253 49.08105 237.0074 57.91357 237.4895 60.69238 237.9716 53.48291 238.4538 42.68896 238.9359 38.95801 239.4180 46.36084 239.9001 54.28516 240.3822 58.96240 240.8643 58.74023 241.3465 62.72803 241.8286 72.07227 242.3107 84.77246 242.7928 98.63477 243.2749 116.4233 243.7570 130.4551 244.2392 137.8452 244.7213 137.3784 245.2034 137.6758 245.6855 138.6357 246.1676 140.5156 246.6497 143.5220 247.1319 147.1299 247.6140 153.0566 248.0961 162.3711 248.5782 175.6611 249.0603 187.8467 249.5424 198.1602 250.0246 208.3682 250.5067 220.9321 250.9888 237.8140 251.4709 253.0977 251.9530 263.3032 252.4351 268.9243 252.9173 280.0249 253.3994 299.7144 253.8815 321.3374 254.3636 338.5015 254.8457 349.4756 255.3278 358.4985 255.8100 363.8403 256.2921 365.8506 256.7742 379.0615 257.2563 409.8330 257.7384 443.2622 258.2205 465.8701 258.7026 473.9233 259.1848 480.6943 259.6669 486.4473 260.1490 492.1147 260.6311 505.3872 261.1132 530.4048 261.5953 556.4834 262.0775 574.0664 262.5596 578.5137 263.0417 588.8228 263.5238 608.0859 264.0059 634.8276 264.4880 664.0278 264.9702 697.2642 265.4523 729.1377 265.9344 755.7939 266.4165 776.2490 266.8986 794.9761 267.3807 810.7490 267.8629 826.0039 268.3450 849.9419 268.8271 886.8350 269.3092 922.7314 269.7913 949.1768 270.2734 962.8960 270.7556 982.7886 271.2377 1012.334 271.7198 1047.622 272.2019 1077.570 272.6840 1099.393 273.1661 1125.138 273.6483 1163.530 274.1304 1217.144 274.6125 1262.112 275.0946 1294.676 275.5767 1322.132 276.0588 1359.149 276.5410 1407.792 277.0231 1453.218 277.5052 1485.454 277.9873 1504.551 278.4694 1534.841 278.9515 1578.197 279.4337 1628.113 279.9158 1676.862 280.3979 1724.301 280.8800 1768.472 281.3621 1806.512 281.8442 1839.716 282.3264 1877.385 282.8085 1920.830 283.2906 1964.134 283.7727 2000.594 284.2548 2030.390 284.7369 2057.843 285.2191 2082.889 285.7012 2106.642 286.1833 2135.903 286.6654 2171.537 287.1475 2207.734 287.6296 2236.402 288.1118 2258.628 288.5939 2285.591 289.0760 2321.690 289.5581 2362.570 290.0402 2398.512 290.5223 2429.543 291.0045 2458.080 291.4866 2484.187 291.9687 2508.917 292.4508 2538.946 292.9329 2578.645 293.4150 2619.420 293.8972 2645.832 294.3793 2659.006 294.8614 2671.232 295.3435 2689.863 295.8256 2713.856 296.3077 2740.733 296.7899 2770.615 297.2720 2801.627 297.7541 2832.057 298.2362 2861.357 298.7183 2887.643 299.2004 2908.496 299.6826 2925.689 300.1647 2942.477 300.6468 2958.698 301.1289 2975.544 301.6110 2995.132 302.0931 3016.334 302.5753 3036.950 303.0574 3056.532 303.5395 3074.470 304.0216 3087.950 304.5037 3096.924 304.9858 3107.812 305.4680 3133.331 305.9501 3163.659 306.4322 3181.640 306.9143 3168.544 307.3964 3149.989 307.8785 3153.731 308.3607 3177.344 308.8428 3196.936 309.3249 3195.062 309.8070 3180.965 310.2891 3165.005 310.7712 3147.153 311.2534 3131.572 311.7355 3124.445 312.2176 3122.839 312.6997 3116.336 313.1818 3095.717 313.6639 3069.928 314.1461 3046.428 314.6282 3029.213 315.1103 3009.252 315.5924 2980.346 316.0745 2945.581 316.5566 2910.842 317.0388 2881.251 317.5209 2850.857 318.0030 2817.303 318.4851 2781.621 318.9672 2737.642 319.4493 2678.869 319.9315 2612.116 320.4136 2545.496 320.8957 2477.357 321.3778 2414.048 321.8599 2358.577 322.3420 2311.594 322.8242 2265.890 323.3063 2224.271 323.7884 2181.593 324.2705 2133.398 324.7526 2070.117 325.2347 2008.932 325.7169 1955.094 326.1990 1908.087 326.6811 1862.116 327.1632 1816.679 327.6453 1771.299 328.1274 1725.862 328.6096 1680.490 329.0917 1636.070 329.5738 1590.971 330.0559 1546.612 330.5380 1508.152 331.0201 1480.309 331.5023 1453.419 331.9844 1422.933 332.4665 1385.458 332.9486 1353.142 333.4307 1327.812 333.9128 1307.214 334.3950 1287.804 334.8771 1269.176 335.3592 1250.754 335.8413 1232.039 336.3234 1212.547 336.8055 1198.044 337.2877 1190.312 337.7698 1186.883 338.2519 1184.384 338.7340 1182.710 339.2161 1177.341 339.6982 1164.999 340.1803 1148.499 340.6624 1146.083 341.1446 1161.579 341.6267 1177.843 342.1088 1180.365 342.5909 1168.891 343.0730 1161.370 343.5551 1160.565 344.0373 1163.412 344.5194 1163.680 345.0015 1161.354 345.4836 1162.510 345.9657 1170.651 346.4478 1184.864 346.9300 1203.262 347.4121 1227.410 347.8942 1250.911 348.3763 1263.669 348.8584 1267.313 349.3405 1271.532 349.8227 1283.664 350.3048 1298.767 350.7869 1307.061 351.2690 1308.659 351.7511 1305.319 352.2332 1296.792 352.7154 1284.530 353.1975 1271.894 353.6796 1261.729 354.1617 1249.745 354.6438 1230.579 355.1259 1204.645 355.6081 1175.553 356.0902 1146.109 356.5723 1114.389 357.0544 1077.459 357.5365 1033.792 358.0186 986.3042 358.5008 935.3530 358.9829 882.3921 359.4650 830.4487 359.9471 778.5928 360.4292 730.0234 360.9113 687.9238 361.3935 653.9517 361.8756 619.3394 362.3577 577.9849 362.8398 535.0845 363.3219 496.6611 363.8040 469.7275 364.2862 442.7432 364.7683 411.0044 365.2504 374.6533 365.7325 340.8647 366.2146 310.1782 366.6967 282.7354 367.1789 258.6880 367.6610 238.0288 368.1431 220.9941 368.6252 211.8901 369.1073 206.7188 369.5894 193.3755 370.0716 161.7798 370.5537 132.3130 371.0358 112.5083 371.5179 106.1714 372.0000 97.51465 372.4821 84.52344 372.9643 70.50537 373.4464 60.47803 373.9285 57.01611 374.4106 52.31543 374.8927 43.37354 375.3748 30.27197 375.8570 21.04736 376.3391 16.32910 376.8212 14.00195 377.3033 13.17383 377.7854 14.43701 378.2675 11.73877 378.7497 2.824707 379.2318 9.018066 379.7139 14.97949 380.1960 14.45117 380.6781 14.71631 381.1602 22.06543 381.6424 34.66846 382.1245 39.87891 382.6066 35.84668 383.0887 29.73096 383.5708 32.29004 384.0529 41.31006 384.5351 46.88818 385.0172 41.89697 385.4993 32.80322 385.9814 32.28418 386.4635 39.85938 386.9456 47.17725 387.4278 47.09033 387.9099 42.63965 388.3920 38.54639 388.8741 36.20850 389.3562 34.17822 389.8383 30.70410 390.3205 26.48486 390.8026 23.42627 391.2847 25.26465 391.7668 26.87305 392.2489 23.54590 392.7310 13.74561 393.2132 4.733398 393.6953 2.538086 394.1774 6.272461 394.6595 4.222168 395.1416 14.41455 395.6237 29.18994 396.1059 30.46680 396.5880 18.99219 397.0701 9.768066 397.5522 7.715332 398.0343 7.511719 398.5164 6.032227 398.9986 0.2749020 399.4807 3.166504 399.9628 1.335938 400.4449 2.719727 400.9270 1.624023 401.4091 10.28760 401.8913 20.10986 402.3734 22.46240 402.8555 15.03857 403.3376 13.29785 403.8197 19.04590 404.3018 28.33447 404.7840 38.16406 405.2661 50.39990 405.7482 55.68652 406.2303 49.59326 406.7124 35.79053 407.1945 30.04883 407.6767 33.51172 408.1588 39.08691 408.6409 41.75049 409.1230 41.73486 409.6051 43.86523 410.0872 49.32080 410.5694 54.55176 411.0515 52.64795 411.5336 44.91797 412.0157 39.16650 412.4978 41.47559 412.9799 47.32129 413.4621 45.70850 413.9442 36.91699 414.4263 29.88574 414.9084 34.76904 415.3905 45.53174 415.8727 52.39014 416.3548 52.01514 416.8369 48.56348 417.3190 43.78564 417.8011 38.55371 418.2832 35.04248 418.7654 34.25977 419.2475 35.60303 419.7296 39.27197 420.2117 45.83887 420.6938 51.21338 421.1759 52.68359 421.6581 52.52051 422.1402 53.12061 422.6223 55.08691 423.1044 57.77100 423.5865 62.21533 424.0686 67.85107 424.5508 70.57471 425.0329 66.76123 425.5150 62.64600 425.9971 61.19678 426.4792 64.46631 426.9613 66.27344 427.4435 65.82764 427.9256 64.45996 428.4077 63.99219 428.8898 64.00391 429.3719 66.31592 429.8540 73.11426 430.3362 83.67773 430.8183 86.89453 431.3004 80.79541 431.7825 74.27832 432.2646 76.30762 432.7467 86.89697 433.2289 92.45312 433.7110 89.68750 434.1931 83.43311 434.6752 83.39209 435.1573 88.90039 435.6394 92.99805 436.1216 89.79297 436.6036 82.96484 437.0858 80.96094 437.5679 84.00977 438.0500 88.33594 438.5321 91.44336 439.0142 92.91406 439.4963 92.35107 439.9785 90.52051 440.4606 86.89746 440.9427 76.78125 441.4248 63.22559 441.9069 56.35742 442.3890 72.03564 442.8712 89.39062 443.3533 92.59326 443.8354 75.80859 444.3175 62.18262 444.7996 63.10693 445.2817 70.25732 445.7639 74.73389 446.2460 72.78857 446.7281 70.17285 447.2102 68.00537 447.6923 66.12256 448.1744 62.89014 448.6566 54.69678 449.1387 48.31055 449.6208 47.17969 450.1029 53.58984 450.5850 60.13818 451.0671 67.40088 451.5493 73.80811 452.0314 77.46729 452.5135 78.02148 452.9956 76.62256 453.4777 74.45996 453.9598 71.76025 454.4420 65.63916 454.9241 55.56055 455.4062 45.89844 455.8883 39.92188 456.3704 37.37305 456.8525 37.99316 457.3347 42.40869 457.8168 46.40039 458.2989 43.91602 458.7810 36.97510 459.2631 31.21826 459.7452 29.29395 460.2274 28.67969 460.7095 25.72656 461.1916 21.08496 461.6737 18.95850 462.1558 22.19678 462.6379 28.73047 463.1201 37.74170 463.6022 52.31396 464.0843 61.69580 464.5664 58.07861 465.0485 46.95020 465.5306 37.41455 466.0128 31.25098 466.4949 27.18555 466.9770 26.11230 467.4591 28.19873 467.9412 27.58057 468.4233 20.14258 468.9055 13.43311 469.3876 12.20410 469.8697 20.97412 470.3518 25.25635 470.8339 22.91992 471.3160 17.39209 471.7982 14.85889 472.2803 15.56982 472.7624 18.90332 473.2445 26.25293 473.7266 36.10547 474.2087 39.70947 474.6909 36.56738 475.1730 30.78320 475.6551 23.17188 476.1372 14.34619 476.6193 12.05469 477.1014 19.01221 477.5836 29.30762 478.0657 36.69727 478.5478 41.24951 479.0299 43.17822 479.5120 40.97070 479.9941 37.32812 480.4763 34.05029 480.9584 31.35596 481.4405 30.68311 481.9226 35.92871 482.4047 41.73779 482.8868 43.76758 483.3690 39.31982 483.8511 33.92285 484.3332 27.44531 484.8153 21.50342 485.2974 18.59814 485.7795 25.26074 486.2617 28.38232 486.7438 21.64355 487.2259 5.441895 487.7080 1.305176 488.1901 16.03369 488.6722 33.35400 489.1544 43.99414 489.6365 47.00537 490.1186 45.75684 490.6007 38.10254 491.0828 29.68115 491.5649 32.13428 492.0471 46.13477 492.5292 53.43018 493.0113 44.33545 493.4934 26.23340 493.9755 19.64990 494.4576 24.11719 494.9398 30.71484 495.4219 32.89209 495.9040 32.69629 496.3861 34.01904 496.8682 37.67041 497.3503 40.85742 497.8325 42.05127 498.3146 41.14355 498.7967 37.95264 499.2788 30.88672 499.7609 23.05469 500.2430 14.38037 500.7252 5.978027 501.2073 2.674805 501.6894 13.78857 502.1715 24.02441 502.6536 25.29785 503.1357 12.01270 503.6179 4.647949 504.1000 7.123535 504.5821 12.56348 505.0642 13.57080 505.5463 7.012695 506.0284 2.937988 506.5106 3.883789 506.9927 7.721680 507.4748 6.443848 507.9569 1.536133 508.4390 6.957031 508.9211 4.471191 509.4033 5.007813 509.8854 16.01123 510.3675 29.14355 510.8496 38.51953 511.3317 33.61865 511.8138 20.21191 512.2960 15.15918 512.7781 25.85986 513.2602 38.30078 513.7423 35.25928 514.2244 22.40918 514.7065 13.49805 515.1887 20.34277 515.6708 29.31934 516.1529 30.71094 516.6350 24.39160 517.1171 18.89062 517.5992 17.46924 518.0814 17.79980 518.5635 18.28613 519.0456 17.55371 519.5277 19.06982 520.0098 26.84863 520.4919 35.48340 520.9741 35.87354 521.4562 21.29932 521.9383 11.92773 522.4204 13.71777 522.9025 24.65381 523.3846 32.22168 523.8668 35.95898 524.3489 37.79443 524.8310 39.33740 525.3131 40.31836 525.7952 37.54932 526.2773 30.30127 526.7595 22.04688 527.2416 16.46582 527.7237 13.41357 528.2058 11.91309 528.6879 12.15381 529.1700 13.09229 529.6522 14.12305 530.1343 15.27441 530.6164 16.43994 531.0985 22.24023 531.5806 24.44336 532.0627 13.99609 532.5449 10.74365 533.0270 26.97021 533.5091 24.33496 533.9912 13.56152 534.4733 1.983887 534.9554 14.85938 535.4376 25.79346 535.9197 28.67383 536.4018 26.38330 536.8839 23.36816 537.3660 18.70264 537.8481 15.81006 538.3303 16.89648 538.8124 20.42822 539.2945 16.20996 539.7766 3.010254 540.2587 7.204590 540.7408 3.053223 541.2230 11.30176 541.7051 20.36621 542.1872 22.90332 542.6693 21.85742 543.1514 19.34424 543.6335 15.63672 544.1157 10.50342 544.5978 0.6362300 545.0799 6.168457 545.5620 1.514160 546.0441 11.27295 546.5262 22.37402 547.0084 28.77930 547.4905 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