#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:49:32 +0300 (Thu, 24 May 2018) $ #$Revision: 803 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000296.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_1000296 loop_ _publ_author_name 'Kampf, A. R.' 'Downs, R. T.' 'Housley, R. M.' 'Jenkins, R. A.' 'Hyrsl, J.' _publ_section_title ; Anorpiment, As2S3, the triclinic dimorph of orpiment ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 2857 _journal_page_last 2867 _journal_paper_doi 10.1180/minmag.2011.075.6.2857 _journal_volume 75 _journal_year 2011 _chemical_compound_source 'Palomo mine, Castrovirreyna Province, Huancavelica Department, Peru' _chemical_formula_sum 'As2 S3' _chemical_name_mineral Anorpiment _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 78.152 _cell_angle_beta 75.817 _cell_angle_gamma 89.861 _cell_length_a 5.7577 _cell_length_b 8.7169 _cell_length_c 10.2682 _cell_volume 488.377 _exptl_crystal_density_diffrn 3.346 _cod_database_code 9015549 _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 R110016.rod _rod_data_source.block 3500000 _rod_database.code 1000296 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 9015549 COD http://www.crystallography.net/cod/9015549.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 139.7290 0.0000000E+00 140.2111 0.1707110 140.6932 2.057850 141.1753 4.830626 141.6575 5.886719 142.1396 7.028217 142.6217 8.712254 143.1038 6.100824 143.5859 3.275572 144.0681 1.064077 144.5502 0.7209490 145.0323 1.749884 145.5144 1.512726 145.9965 0.6577800 146.4786 3.024811 146.9608 5.107113 147.4429 6.923103 147.9250 8.602966 148.4071 9.504776 148.8892 10.51006 149.3713 12.86883 149.8535 18.05827 150.3356 23.19498 150.8177 27.38328 151.2998 29.72596 151.7819 33.03541 152.2640 37.29725 152.7462 42.54302 153.2283 48.72037 153.7104 55.05948 154.1925 62.96220 154.6746 73.09965 155.1567 86.76101 155.6389 100.1835 156.1210 111.8751 156.6031 122.9877 157.0852 136.4829 157.5673 156.3949 158.0495 176.3343 158.5316 193.4691 159.0137 207.3411 159.4958 218.0548 159.9779 224.2094 160.4600 226.9596 160.9422 230.0801 161.4243 234.2145 161.9064 239.5027 162.3885 246.0531 162.8706 254.8140 163.3527 263.8917 163.8349 271.7700 164.3170 279.0177 164.7991 288.3550 165.2812 300.8122 165.7633 316.0566 166.2454 333.8387 166.7276 355.5537 167.2097 378.4451 167.6918 400.4015 168.1739 421.6110 168.6560 445.3906 169.1381 471.5619 169.6203 501.7189 170.1024 533.5278 170.5845 572.8589 171.0666 616.1658 171.5487 657.4542 172.0309 696.9276 172.5130 740.5242 172.9951 790.4113 173.4772 847.1387 173.9593 911.9697 174.4414 983.3199 174.9236 1063.453 175.4057 1159.060 175.8878 1271.155 176.3699 1378.972 176.8520 1491.479 177.3341 1589.425 177.8163 1629.880 178.2984 1582.747 178.7805 1472.855 179.2626 1319.646 179.7447 1122.547 180.2268 925.3832 180.7090 766.6275 181.1911 643.8297 181.6732 553.0864 182.1553 500.1806 182.6374 476.8993 183.1195 469.7708 183.6017 479.2140 184.0838 499.2728 184.5659 525.3214 185.0480 556.6962 185.5301 591.0192 186.0123 628.5515 186.4944 668.2208 186.9765 709.0490 187.4586 754.4614 187.9407 790.0632 188.4228 793.0244 188.9050 765.4842 189.3871 727.7197 189.8692 681.2733 190.3513 630.7194 190.8334 599.4258 191.3155 590.3703 191.7977 596.4424 192.2798 611.7536 192.7619 635.9860 193.2440 653.8314 193.7261 661.5973 194.2082 658.2360 194.6904 632.3380 195.1725 580.7886 195.6546 512.6077 196.1367 440.5249 196.6188 363.2212 197.1009 294.1879 197.5831 241.1936 198.0652 204.0288 198.5473 174.8018 199.0294 153.9384 199.5115 139.5230 199.9937 128.0848 200.4758 119.8007 200.9579 113.6055 201.4400 109.8751 201.9221 108.8625 202.4042 105.7894 202.8864 99.77759 203.3685 92.40822 203.8506 87.28580 204.3327 84.73990 204.8148 82.95789 205.2969 81.04759 205.7791 78.94107 206.2612 76.31305 206.7433 73.10408 207.2254 69.66609 207.7075 66.66922 208.1896 64.12837 208.6718 61.44611 209.1539 58.19313 209.6360 54.17607 210.1181 51.16403 210.6002 49.46461 211.0823 48.72807 211.5645 48.00461 212.0466 47.33311 212.5287 46.47575 213.0108 45.37598 213.4929 44.09781 213.9750 42.37668 214.4572 39.77927 214.9393 36.88676 215.4214 35.63181 215.9035 36.82971 216.3856 37.92584 216.8678 37.41495 217.3499 34.75276 217.8320 32.36766 218.3141 30.46394 218.7962 28.87808 219.2783 27.05702 219.7605 24.75182 220.2426 22.65523 220.7247 21.25394 221.2068 20.95987 221.6889 20.11655 222.1710 18.33388 222.6532 16.03314 223.1353 14.62143 223.6174 14.55806 224.0995 14.62152 224.5816 14.10284 225.0637 12.50961 225.5459 11.69370 226.0280 12.17258 226.5101 13.36929 226.9922 13.27924 227.4743 10.82819 227.9564 8.794220 228.4386 8.762665 228.9207 12.03186 229.4028 14.05020 229.8849 14.32864 230.3670 13.42123 230.8492 12.94241 231.3313 13.17728 231.8134 13.39655 232.2955 13.19333 232.7776 12.04330 233.2597 11.72760 233.7419 12.72482 234.2240 14.44446 234.7061 15.26285 235.1882 14.84650 235.6703 14.05264 236.1524 13.16367 236.6346 11.89352 237.1167 11.24194 237.5988 11.53336 238.0809 12.32461 238.5630 12.64258 239.0451 12.51468 239.5273 11.84229 240.0094 10.43478 240.4915 7.716980 240.9736 5.793488 241.4557 5.068146 241.9378 4.940491 242.4200 4.122253 242.9021 2.146637 243.3842 0.1975400 243.8663 1.330139 244.3484 2.462006 244.8306 3.032532 245.3127 2.635132 245.7948 1.895691 246.2769 2.060150 246.7590 3.734741 247.2411 5.296448 247.7233 6.189850 248.2054 6.294037 248.6875 6.109070 249.1696 5.338501 249.6517 4.485229 250.1338 4.498871 250.6160 6.065826 251.0981 7.251007 251.5802 7.356232 252.0623 6.127869 252.5444 5.094055 253.0265 4.316315 253.5087 3.693665 253.9908 3.089355 254.4729 2.359650 254.9550 1.898712 255.4371 1.777863 255.9192 1.989868 256.4014 2.746094 256.8835 4.429779 257.3656 6.278961 257.8477 7.381439 258.3298 7.581543 258.8120 7.355621 259.2941 6.619263 259.7762 5.297882 260.2583 4.676514 260.7404 4.893036 261.2225 5.627075 261.7047 6.721283 262.1868 8.667023 262.6689 9.632172 263.1510 8.777222 263.6331 6.203644 264.1152 5.241150 264.5974 6.747925 265.0795 8.561188 265.5616 8.370239 266.0437 5.341370 266.5258 2.999878 267.0079 2.071014 267.4901 2.400665 267.9722 2.918030 268.4543 3.784241 268.9364 4.485992 269.4185 4.457123 269.9006 3.435638 270.3828 2.833282 270.8649 2.971222 271.3470 3.673767 271.8291 4.166565 272.3112 4.524658 272.7933 4.480530 273.2755 3.685760 273.7576 1.992645 274.2397 0.6411440 274.7218 0.1307070 275.2039 0.4943240 275.6860 0.8727420 276.1682 1.193909 276.6503 1.847290 277.1324 3.011780 277.6145 4.654114 278.0966 7.158905 278.5787 10.79590 279.0609 15.03043 279.5430 18.59579 280.0251 21.31076 280.5072 24.42618 280.9893 28.76575 281.4715 34.28479 281.9536 40.03214 282.4357 46.16568 282.9178 52.13126 283.3999 56.73608 283.8820 59.91006 284.3642 63.12817 284.8463 66.79123 285.3284 70.94962 285.8105 76.55502 286.2926 84.08527 286.7747 91.77737 287.2569 96.80548 287.7390 99.25479 288.2211 101.6005 288.7032 104.9028 289.1853 108.9226 289.6674 112.5904 290.1496 115.8705 290.6317 119.1953 291.1138 123.2264 291.5959 127.8650 292.0780 132.1664 292.5602 135.3914 293.0423 138.2796 293.5244 142.8336 294.0065 149.0768 294.4886 156.0778 294.9707 163.5555 295.4529 171.2892 295.9350 178.1998 296.4171 183.6025 296.8992 188.5357 297.3813 194.6872 297.8634 201.9799 298.3456 209.9765 298.8277 218.0192 299.3098 226.4527 299.7919 235.7143 300.2740 245.1708 300.7561 256.5821 301.2383 271.8470 301.7204 290.9322 302.2025 312.6904 302.6846 336.0516 303.1667 361.9276 303.6488 391.7519 304.1310 424.9163 304.6131 463.4699 305.0952 509.2727 305.5773 561.8657 306.0594 619.6992 306.5415 682.2516 307.0237 749.8416 307.5058 824.8765 307.9879 907.7629 308.4700 993.2518 308.9521 1078.344 309.4343 1163.641 309.9164 1252.013 310.3985 1344.616 310.8806 1441.647 311.3627 1542.645 311.8448 1648.441 312.3270 1760.148 312.8091 1871.600 313.2912 1991.653 313.7733 2130.773 314.2554 2279.430 314.7375 2459.375 315.2197 2672.856 315.7018 2924.007 316.1839 3230.847 316.6660 3589.040 317.1481 4014.949 317.6302 4518.448 318.1124 5133.501 318.5945 5788.969 319.0766 6497.264 319.5587 7237.357 320.0408 7946.867 320.5229 8626.204 321.0051 9255.830 321.4872 9829.083 321.9693 10346.60 322.4514 10791.72 322.9335 11149.92 323.4156 11434.12 323.8978 11669.09 324.3799 11808.80 324.8620 11943.63 325.3441 12099.36 325.8262 12268.05 326.3083 12483.82 326.7905 12713.48 327.2726 13004.39 327.7547 13410.81 328.2368 13844.84 328.7189 14490.33 329.2010 15401.31 329.6832 16579.73 330.1653 17906.15 330.6474 19459.75 331.1295 21102.76 331.6116 22745.46 332.0938 24405.24 332.5759 26055.14 333.0580 27781.59 333.5401 29537.20 334.0222 30918.39 334.5043 32236.78 334.9865 32772.41 335.4686 32065.77 335.9507 29881.49 336.4328 26995.37 336.9149 23125.88 337.3970 18688.32 337.8792 14876.74 338.3613 11642.03 338.8434 9005.439 339.3255 7015.418 339.8076 5718.604 340.2898 4693.373 340.7719 3964.813 341.2540 3447.998 341.7361 3027.519 342.2182 2715.882 342.7003 2448.679 343.1825 2212.939 343.6646 2005.537 344.1467 1820.581 344.6288 1655.939 345.1109 1516.185 345.5930 1405.742 346.0752 1324.987 346.5573 1262.673 347.0394 1217.659 347.5215 1187.473 348.0036 1166.789 348.4857 1155.605 348.9679 1151.584 349.4500 1158.238 349.9321 1171.231 350.4142 1180.220 350.8963 1186.944 351.3784 1180.928 351.8606 1148.823 352.3427 1092.585 352.8248 1017.951 353.3069 914.7368 353.7890 800.9797 354.2711 696.9005 354.7533 603.8416 355.2354 524.6240 355.7175 463.7830 356.1996 419.3948 356.6817 387.9807 357.1638 372.2009 357.6460 365.7176 358.1281 364.4488 358.6102 368.3192 359.0923 376.8845 359.5744 391.5777 360.0565 409.9638 360.5387 429.8549 361.0208 451.8578 361.5029 473.9942 361.9850 496.8337 362.4671 519.3262 362.9492 537.8501 363.4314 547.3876 363.9135 555.2905 364.3956 565.2415 364.8777 577.3777 365.3598 592.5392 365.8419 608.5526 366.3241 628.2092 366.8062 655.6569 367.2883 688.9055 367.7704 732.5118 368.2526 787.0962 368.7347 852.5595 369.2168 930.9570 369.6989 1019.581 370.1810 1122.858 370.6631 1245.889 371.1453 1397.076 371.6274 1556.212 372.1095 1724.035 372.5916 1900.104 373.0737 2075.531 373.5558 2251.259 374.0380 2427.102 374.5201 2609.965 375.0022 2809.901 375.4843 2984.861 375.9664 3154.326 376.4485 3279.459 376.9307 3285.228 377.4128 3164.969 377.8949 2952.069 378.3770 2628.441 378.8591 2203.353 379.3412 1828.049 379.8234 1503.614 380.3055 1236.840 380.7876 1049.895 381.2697 938.6107 381.7518 861.7900 382.2339 816.4847 382.7161 792.5182 383.1982 768.2370 383.6803 743.8810 384.1624 718.5521 384.6445 688.0146 385.1266 656.2657 385.6088 633.4048 386.0909 621.4247 386.5730 617.1984 387.0551 618.0342 387.5372 623.9150 388.0193 634.9495 388.5015 662.3459 388.9836 688.9135 389.4657 699.5038 389.9478 693.5021 390.4299 665.7180 390.9120 602.3511 391.3942 518.2069 391.8763 432.2622 392.3584 340.6040 392.8405 258.6830 393.3226 195.3649 393.8047 148.9297 394.2869 111.5485 394.7690 83.02451 395.2511 60.65637 395.7332 43.10986 396.2154 31.30640 396.6975 21.99103 397.1796 14.74158 397.6617 9.439575 398.1438 5.872711 398.6259 6.283936 399.1081 6.115265 399.5902 3.623199 400.0723 1.766449 400.5544 5.518097 401.0365 6.903900 401.5186 7.216583 402.0008 7.385605 402.4829 7.068558 402.9650 7.299423 403.4471 8.429413 403.9292 10.21678 404.4113 11.65947 404.8935 12.93642 405.3756 13.51454 405.8577 12.74753 406.3398 10.30484 406.8219 9.044937 407.3040 9.241653 407.7862 10.18608 408.2683 10.93501 408.7504 11.47404 409.2325 12.04785 409.7146 12.83653 410.1967 13.67128 410.6789 14.23558 411.1610 14.55183 411.6431 14.27031 412.1252 12.51857 412.6073 9.874084 413.0894 8.118088 413.5716 7.876999 414.0537 8.030090 414.5358 7.063690 415.0179 5.301178 415.5000 3.803665 415.9821 3.538940 416.4643 3.633179 416.9464 3.028030 417.4285 1.591415 417.9106 0.4028170 418.3927 0.2950590 418.8748 0.7937620 419.3570 1.318100 419.8391 1.975571 420.3212 2.334869 420.8033 2.213806 421.2854 1.634979 421.7675 0.7546540 422.2497 0.7177430 422.7318 2.217194 423.2139 3.485809 423.6960 4.616608 424.1781 5.258148 424.6602 4.729904 425.1424 3.872650 425.6245 3.956314 426.1066 6.098526 426.5887 7.796051 427.0709 8.484467 427.5530 8.162796 428.0351 7.548492 428.5172 6.291718 428.9993 5.187378 429.4814 4.878250 429.9636 5.610031 430.4457 6.283646 430.9278 6.999130 431.4099 7.422287 431.8920 6.449677 432.3741 3.809387 432.8563 1.780640 433.3384 1.921982 433.8205 3.773087 434.3026 3.697357 434.7847 1.385925 435.2668 0.4426730 435.7490 2.390381 436.2311 8.325851 436.7132 11.46140 437.1953 9.042816 437.6774 4.829559 438.1595 3.606247 438.6417 4.961823 439.1238 7.198624 439.6059 10.55525 440.0880 13.63034 440.5701 14.56421 441.0522 12.86441 441.5344 11.10286 442.0165 10.90623 442.4986 11.57593 442.9807 12.26578 443.4628 12.38353 443.9449 12.77461 444.4271 13.94543 444.9092 15.75671 445.3913 17.40759 445.8734 19.05304 446.3555 20.20137 446.8376 20.45381 447.3198 18.78447 447.8019 18.22955 448.2840 19.73341 448.7661 22.01270 449.2482 23.23280 449.7303 22.58122 450.2125 22.24559 450.6946 22.73029 451.1767 23.98569 451.6588 25.29639 452.1409 26.71667 452.6230 28.08031 453.1052 29.52089 453.5873 31.14426 454.0694 31.20488 454.5515 29.07845 455.0337 26.36159 455.5158 26.07101 455.9979 28.03131 456.4800 29.78052 456.9621 30.05676 457.4442 29.45979 457.9264 29.53146 458.4085 30.16718 458.8906 30.41502 459.3727 29.03804 459.8548 26.89639 460.3369 25.41151 460.8191 24.91081 461.3012 24.87987 461.7833 25.35651 462.2654 25.98630 462.7475 26.01729 463.2296 24.22891 463.7118 22.63614 464.1939 22.64394 464.6760 24.27736 465.1581 25.68919 465.6402 26.63776 466.1223 26.91011 466.6045 26.33855 467.0866 23.31367 467.5687 21.39189 468.0508 21.35796 468.5329 22.49632 469.0150 23.23782 469.4972 23.53012 469.9793 23.66963 470.4614 23.82372 470.9435 23.96292 471.4256 23.48674 471.9077 22.20323 472.3899 20.69064 472.8720 19.33809 473.3541 18.08577 473.8362 17.27115 474.3183 16.93861 474.8004 17.05806 475.2826 17.56081 475.7647 18.43106 476.2468 19.59103 476.7289 21.83316 477.2110 24.16196 477.6931 23.78314 478.1753 20.70892 478.6574 17.66306 479.1395 16.93498 479.6216 17.68488 480.1037 18.72829 480.5858 19.81448 481.0680 20.95129 481.5501 22.57867 482.0322 24.23869 482.5143 24.96510 482.9964 23.39795 483.4786 21.67255 483.9607 20.85762 484.4428 21.06122 484.9249 21.35001 485.4070 21.39526 485.8892 21.54073 486.3713 22.04144 486.8534 23.58888 487.3355 24.43948 487.8176 24.14630 488.2997 23.30859 488.7819 23.28958 489.2640 24.54883 489.7461 25.48425 490.2282 25.21875 490.7103 23.87793 491.1924 24.26697 491.6746 26.91655 492.1567 29.43806 492.6388 29.26959 493.1209 26.75609 493.6030 25.29076 494.0851 25.47757 494.5673 26.31760 495.0494 26.65880 495.5315 26.45529 496.0136 25.92226 496.4957 24.87106 496.9778 23.87312 497.4600 23.53497 497.9421 23.80450 498.4242 24.34059 498.9063 25.10947 499.3884 25.90883 499.8705 26.70497 500.3527 27.76309 500.8348 28.16551 501.3169 26.71028 501.7990 24.62549 502.2811 23.64127 502.7632 25.02664 503.2454 26.53670 503.7275 27.92453 504.2096 29.13391 504.6917 29.59000 505.1738 28.81102 505.6559 27.89255 506.1381 27.33092 506.6202 27.03900 507.1023 27.74417 507.5844 29.95391 508.0665 32.19526 508.5486 32.02397 509.0308 29.37163 509.5129 27.50070 509.9950 27.34807 510.4771 28.38596 510.9592 29.93800 511.4413 31.87806 511.9235 33.13122 512.4056 32.35476 512.8877 30.67752 513.3698 29.83266 513.8519 30.00465 514.3340 30.52243 514.8162 31.36160 515.2983 32.05370 515.7804 32.02811 516.2625 30.64505 516.7446 29.11161 517.2267 27.77367 517.7089 26.63781 518.1910 25.75095 518.6731 25.48009 519.1552 25.17390 519.6373 24.39000 520.1194 22.97519 520.6016 22.50159 521.0837 23.65896 521.5658 24.96769 522.0479 25.33850 522.5300 24.53384 523.0121 23.74807 523.4943 22.98613 523.9764 22.30112 524.4585 21.81990 524.9406 21.53998 525.4227 21.36594 525.9048 21.36313 526.3870 21.42816 526.8691 21.32032 527.3513 21.03471 527.8334 20.50744 528.3155 19.24498 528.7976 17.84409 529.2797 17.26666 529.7618 17.73562 530.2440 18.47227 530.7261 19.15950 531.2082 19.62793 531.6903 19.67326 532.1724 18.76693 532.6545 17.97940 533.1367 17.63786 533.6188 17.72327 534.1009 18.08315 534.5830 19.04240 535.0651 19.86531 535.5472 20.40711 536.0294 20.67401 536.5115 20.36261 536.9936 18.82671 537.4757 17.46549 537.9578 17.84214 538.4399 20.42294 538.9221 21.93132 539.4042 21.75252 539.8863 20.70766 540.3684 20.14542 540.8505 20.06792 541.3326 20.31096 541.8148 20.92070 542.2969 21.75358 542.7790 22.84394 543.2611 24.05891 543.7432 24.53496 544.2253 22.43771 544.7075 20.00462 545.1896 20.02525 545.6717 23.41779 546.1538 26.17888 546.6359 25.66527 547.1180 23.75639 547.6002 22.44749 548.0823 23.03929 548.5644 23.35260 549.0465 22.54374 549.5286 21.17008 550.0107 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