#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:42:22 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1244 $ #$URL: svn://172.16.1.111/rod/cif/1/00/06/1000654.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_1000654 loop_ _publ_author_name 'Zubkova, N. V.' 'Pushcharovsky, D. Y.' 'Giester, G.' 'Tillmanns, E.' 'Pekov, I. V.' 'Kleimenov, D. A.' _publ_section_title ; The crystal structure of arsentsumebite, Pb2Cu[(As,S)O4]2(OH) Locality: oxidation zone of the Berezovskoye gold deposit, Middle Urals, Russia ; _journal_name_full 'Mineralogy and Petrology' _journal_page_first 79 _journal_page_last 88 _journal_paper_doi 10.1007/s007100200016 _journal_volume 75 _journal_year 2002 _chemical_compound_source R110041 _chemical_formula_sum 'As Cu H O9 Pb2 S' _chemical_name_mineral Arsentsumebite _space_group_IT_number 11 _symmetry_space_group_name_Hall '-P 2yb' _symmetry_space_group_name_H-M 'P 1 21/m 1' _cell_angle_alpha 90 _cell_angle_beta 112.29 _cell_angle_gamma 90 _cell_length_a 7.804 _cell_length_b 5.890 _cell_length_c 8.964 _cell_volume 381.246 _exptl_crystal_density_diffrn 6.359 _cod_original_formula_sum 'Pb2 Cu (As S) (O9 H)' _cod_database_code 9009849 _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 R110041.rod _rod_data_source.block 3500000 _rod_database.code 1000654 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 9009849 COD http://www.crystallography.net/cod/9009849.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 199.5977 0.0000000E+00 200.0798 0.5738980 200.5619 0.2239380 201.0440 5.7647999E-02 201.5261 0.3557590 202.0082 0.8317870 202.4904 1.358231 202.9725 1.923721 203.4546 2.600357 203.9367 2.970779 204.4188 3.317200 204.9009 3.954666 205.3831 4.997818 205.8652 5.236237 206.3473 4.134003 206.8294 3.122940 207.3115 3.217941 207.7936 4.485977 208.2758 6.339462 208.7579 7.374588 209.2400 6.181732 209.7221 5.657104 210.2042 6.129044 210.6863 7.609772 211.1685 9.662292 211.6506 11.73869 212.1327 13.55544 212.6148 14.72992 213.0969 15.89648 213.5790 15.02551 214.0612 13.28329 214.5433 11.40499 215.0254 9.714417 215.5075 8.099129 215.9896 6.517403 216.4717 4.858711 216.9539 2.609123 217.4360 1.640251 217.9181 3.277176 218.4002 5.534950 218.8823 6.458595 219.3644 5.682350 219.8466 4.026260 220.3287 2.524994 220.8108 1.155968 221.2929 0.1940460 221.7750 0.2104640 222.2571 0.2194820 222.7393 7.6812997E-02 223.2214 0.7207870 223.7035 1.447273 224.1856 1.927956 224.6677 2.037521 225.1498 1.663727 225.6320 8.1878997E-02 226.1141 1.936211 226.5962 1.970795 227.0783 1.251442 227.5604 4.896332 228.0425 6.489189 228.5247 6.873230 229.0068 6.300407 229.4889 5.295280 229.9710 4.667763 230.4531 4.981865 230.9352 5.650864 231.4174 6.680435 231.8995 7.131477 232.3816 6.864868 232.8637 6.666084 233.3458 6.880806 233.8279 7.393272 234.3101 7.813812 234.7922 8.052139 235.2743 8.344078 235.7564 8.698471 236.2385 9.186821 236.7206 10.01733 237.2028 11.73390 237.6849 13.91046 238.1670 14.54958 238.6491 12.26976 239.1312 10.50330 239.6133 11.17047 240.0955 13.16720 240.5776 14.58874 241.0597 14.13082 241.5418 12.25182 242.0239 11.19441 242.5060 11.50492 242.9882 11.96107 243.4703 12.41417 243.9524 12.72296 244.4345 12.68697 244.9166 12.16168 245.3987 11.23823 245.8809 10.38458 246.3630 10.05018 246.8451 9.151421 247.3272 6.728714 247.8093 3.847717 248.2914 1.975990 248.7736 1.961037 249.2557 3.308479 249.7378 4.018303 250.2199 3.817940 250.7020 3.225327 251.1841 1.729477 251.6663 8.2099997E-02 252.1484 0.6786500 252.6305 3.6750998E-02 253.1126 1.438072 253.5947 1.944740 254.0768 4.7867000E-02 254.5590 1.128387 255.0411 0.7822420 255.5232 0.1351010 256.0053 0.4756770 256.4874 0.2423020 256.9695 1.501595 257.4517 1.720734 257.9338 0.1183780 258.4159 1.005440 258.8980 0.3089290 259.3801 1.073128 259.8622 2.416290 260.3444 3.446594 260.8265 3.976349 261.3086 3.599953 261.7907 1.062561 262.2728 0.3729250 262.7549 0.5044630 263.2371 1.925629 263.7192 2.042503 264.2013 0.3841860 264.6834 2.101768 265.1655 4.094795 265.6476 5.573524 266.1298 6.435089 266.6119 6.067665 267.0940 5.412193 267.5761 5.317604 268.0582 5.954620 268.5403 7.043221 269.0225 8.376518 269.5046 10.10129 269.9867 11.27632 270.4688 11.36047 270.9509 11.19090 271.4330 11.43860 271.9152 12.18690 272.3973 13.26589 272.8794 14.63195 273.3615 16.30828 273.8436 17.56992 274.3257 18.29016 274.8079 18.66167 275.2900 18.19204 275.7721 17.08728 276.2542 17.40619 276.7363 21.40086 277.2184 28.48301 277.7006 33.20486 278.1827 33.89912 278.6648 33.49360 279.1469 33.69894 279.6290 34.54134 280.1111 35.82985 280.5933 37.55026 281.0754 39.66180 281.5575 41.86285 282.0396 44.10925 282.5217 46.45895 283.0038 48.97218 283.4860 51.57642 283.9681 54.16481 284.4502 56.92336 284.9323 59.86208 285.4144 62.45193 285.8965 64.29842 286.3787 66.60784 286.8608 70.47816 287.3429 75.45034 287.8250 79.78331 288.3071 82.47308 288.7892 84.93126 289.2714 89.43372 289.7535 96.21385 290.2356 102.6656 290.7177 107.1904 291.1998 110.4604 291.6819 114.2591 292.1641 118.9444 292.6462 124.3384 293.1283 130.4981 293.6104 137.3082 294.0925 143.9862 294.5746 149.8779 295.0568 155.4684 295.5389 161.7758 296.0210 169.0380 296.5031 176.6094 296.9852 183.8837 297.4673 191.0294 297.9495 198.6345 298.4316 207.2120 298.9137 216.1920 299.3958 224.5500 299.8779 232.0804 300.3600 239.8910 300.8422 248.8664 301.3243 258.5990 301.8064 268.3482 302.2885 278.1883 302.7706 287.8800 303.2527 297.0020 303.7349 305.5304 304.2170 314.4439 304.6991 325.6073 305.1812 336.6502 305.6633 344.0142 306.1454 346.1405 306.6276 347.2875 307.1097 351.6726 307.5918 359.0338 308.0739 365.0418 308.5560 367.9638 309.0381 368.9936 309.5203 370.0450 310.0024 371.3195 310.4845 370.9368 310.9666 366.5045 311.4487 358.8645 311.9308 352.4688 312.4130 348.8990 312.8951 345.7679 313.3772 340.8567 313.8593 334.3184 314.3414 327.4464 314.8235 320.3741 315.3057 313.5347 315.7878 308.2843 316.2699 305.2859 316.7520 302.1079 317.2341 296.8393 317.7162 290.1690 318.1984 283.2773 318.6805 275.5255 319.1626 267.8585 319.6447 262.5898 320.1268 260.0915 320.6089 258.2443 321.0911 256.1360 321.5732 253.9316 322.0553 251.8393 322.5374 249.7474 323.0195 247.6265 323.5016 245.4744 323.9838 243.3490 324.4659 241.7502 324.9480 241.0261 325.4301 240.6873 325.9122 240.0150 326.3943 238.8298 326.8765 238.3447 327.3586 239.8808 327.8407 243.0664 328.3228 245.7572 328.8049 247.2249 329.2870 248.3830 329.7692 250.0854 330.2513 252.2952 330.7334 254.8237 331.2155 257.9641 331.6976 261.3169 332.1797 264.0040 332.6619 265.9678 333.1440 267.1638 333.6261 267.1216 334.1082 266.2572 334.5903 265.4832 335.0724 264.8702 335.5546 264.5965 336.0367 265.2196 336.5188 266.8686 337.0009 268.0055 337.4830 267.3829 337.9651 265.7487 338.4473 264.6496 338.9294 264.9109 339.4115 264.6881 339.8936 262.4360 340.3757 258.3069 340.8578 253.4386 341.3400 247.9511 341.8221 242.1630 342.3042 236.6455 342.7863 231.4810 343.2684 226.0230 343.7505 219.7383 344.2327 212.9295 344.7148 206.3699 345.1969 200.3053 345.6790 194.2963 346.1611 187.7186 346.6432 180.6730 347.1254 173.7579 347.6075 167.1705 348.0896 160.7857 348.5717 154.5988 349.0538 148.5874 349.5359 142.6452 350.0181 136.7383 350.5002 130.8068 350.9823 124.6444 351.4644 117.9759 351.9465 111.3343 352.4286 104.7748 352.9108 98.44273 353.3929 92.95521 353.8750 88.79339 354.3571 85.54544 354.8392 82.17477 355.3214 78.68880 355.8035 75.10700 356.2856 71.28167 356.7677 67.40480 357.2498 63.84561 357.7319 60.72142 358.2141 57.84690 358.6962 54.98175 359.1783 52.15250 359.6604 49.16532 360.1425 45.93234 360.6246 42.55606 361.1068 38.71529 361.5889 34.49471 362.0710 31.29561 362.5531 30.58748 363.0352 32.32397 363.5173 32.72603 363.9995 31.49635 364.4816 29.38367 364.9637 25.99991 365.4458 21.96836 365.9279 18.94604 366.4100 17.95654 366.8922 18.18102 367.3743 16.93876 367.8564 13.01373 368.3385 9.452049 368.8206 6.240662 369.3027 3.755424 369.7849 2.926704 370.2670 3.914886 370.7491 5.182495 371.2312 4.496956 371.7133 0.8677140 372.1954 1.740593 372.6776 2.945877 373.1597 3.538643 373.6418 3.550407 374.1239 3.294167 374.6060 3.740883 375.0881 5.928490 375.5703 9.728165 376.0524 10.95208 376.5345 6.906418 377.0166 3.440521 377.4987 1.977478 377.9808 1.872429 378.4630 2.237694 378.9451 2.670151 379.4272 3.004959 379.9093 2.784050 380.3914 1.216026 380.8735 0.4444430 381.3557 1.468857 381.8378 2.582809 382.3199 2.487328 382.8020 1.036789 383.2841 1.028923 383.7662 2.941734 384.2484 4.703545 384.7305 6.340416 385.2126 7.935661 385.6947 9.317284 386.1768 10.47808 386.6589 11.37256 387.1411 11.86212 387.6232 11.77627 388.1053 11.36440 388.5874 11.55713 389.0695 12.67414 389.5516 13.81275 390.0338 15.03175 390.5159 16.03904 390.9980 16.65903 391.4801 16.83521 391.9622 16.36037 392.4443 14.51684 392.9265 11.03580 393.4086 8.845055 393.8907 9.217705 394.3728 10.18465 394.8549 11.07298 395.3370 11.66440 395.8192 11.40630 396.3013 9.196693 396.7834 5.881172 397.2655 4.458809 397.7476 5.564377 398.2297 6.924309 398.7119 7.449524 399.1940 7.482689 399.6761 7.414818 400.1582 7.359840 400.6403 7.191658 401.1224 6.488358 401.6046 5.316238 402.0867 4.980179 402.5688 6.171181 403.0509 8.061867 403.5330 9.711540 404.0151 11.12441 404.4973 12.33486 404.9794 13.57942 405.4615 14.56966 405.9436 14.46864 406.4257 13.01304 406.9078 11.87605 407.3900 12.81368 407.8721 15.35491 408.3542 16.91993 408.8363 16.60300 409.3184 15.91879 409.8005 15.59805 410.2827 15.67443 410.7648 16.42435 411.2469 18.20002 411.7290 20.25841 412.2111 20.73979 412.6932 19.02271 413.1754 17.56783 413.6575 16.53995 414.1396 16.10822 414.6217 16.77669 415.1038 18.51400 415.5859 20.23448 416.0681 20.74189 416.5502 19.83695 417.0323 20.00483 417.5144 22.10548 417.9965 24.19437 418.4786 25.68884 418.9608 26.57012 419.4429 26.79460 419.9250 26.30180 420.4071 25.45785 420.8892 25.33730 421.3713 27.22956 421.8535 27.84103 422.3356 25.50453 422.8177 23.03482 423.2998 22.55042 423.7819 24.32661 424.2640 27.38892 424.7462 30.86390 425.2283 34.79417 425.7104 38.67581 426.1925 41.85255 426.6746 45.73936 427.1567 51.19009 427.6389 57.50836 428.1210 63.53609 428.6031 68.67812 429.0852 73.46097 429.5673 78.73243 430.0494 84.21371 430.5316 90.80477 431.0137 99.40044 431.4958 108.8090 431.9779 118.6438 432.4600 128.7226 432.9421 138.2224 433.4243 145.5370 433.9064 151.6523 434.3885 160.9110 434.8706 174.4779 435.3527 188.7325 435.8348 201.2233 436.3170 212.8397 436.7991 225.3711 437.2812 240.0138 437.7633 254.5916 438.2454 266.9832 438.7275 277.4176 439.2097 287.5367 439.6918 298.3066 440.1739 308.3878 440.6560 315.9037 441.1381 321.1263 441.6202 323.7421 442.1024 323.7591 442.5845 321.0787 443.0666 315.2331 443.5487 306.2874 444.0308 295.4092 444.5129 283.2578 444.9951 269.9152 445.4772 255.8117 445.9593 239.7275 446.4414 224.5038 446.9235 211.5576 447.4056 199.8525 447.8878 187.4963 448.3699 173.8778 448.8520 160.4318 449.3341 149.3587 449.8162 141.6153 450.2983 133.7658 450.7805 125.4106 451.2626 117.3490 451.7447 109.7995 452.2268 102.8713 452.7089 96.60201 453.1910 91.02171 453.6732 86.19007 454.1553 82.53889 454.6374 81.08026 455.1195 79.08226 455.6016 75.61163 456.0837 71.83755 456.5659 68.92066 457.0480 66.91467 457.5301 64.94417 458.0122 61.65755 458.4943 57.10838 458.9764 54.77229 459.4586 56.43942 459.9407 57.82273 460.4228 56.50976 460.9049 53.45476 461.3870 50.28236 461.8691 47.46096 462.3513 44.91888 462.8334 42.70418 463.3155 40.91679 463.7976 39.11985 464.2797 37.05782 464.7618 34.92435 465.2440 32.86550 465.7261 30.84853 466.2082 29.33844 466.6903 28.80824 467.1724 28.66381 467.6545 28.14144 468.1367 27.19906 468.6188 26.30547 469.1009 25.83830 469.5830 25.69642 470.0651 24.95806 470.5472 23.06767 471.0294 21.25395 471.5115 19.59504 471.9936 18.24169 472.4757 17.36971 472.9578 17.00970 473.4399 16.99868 473.9221 17.23686 474.4042 17.90507 474.8863 17.80912 475.3684 15.97739 475.8505 14.40819 476.3326 13.92437 476.8148 14.24416 477.2969 14.74776 477.7790 15.19818 478.2611 15.73430 478.7432 16.88831 479.2253 19.54385 479.7075 20.36211 480.1896 16.18054 480.6717 12.33685 481.1538 12.39052 481.6359 15.76601 482.1180 18.79620 482.6002 18.65710 483.0823 16.49368 483.5644 15.69986 484.0465 16.77583 484.5286 17.33152 485.0107 15.38593 485.4929 12.84520 485.9750 12.15046 486.4571 13.87507 486.9392 15.76641 487.4213 16.71786 487.9034 16.82499 488.3856 16.08820 488.8677 14.39917 489.3498 12.62111 489.8319 11.47950 490.3140 10.97709 490.7961 10.58688 491.2783 10.74167 491.7604 10.78347 492.2425 9.898705 492.7246 8.561836 493.2067 7.890602 493.6888 8.284466 494.1710 8.915905 494.6531 8.407177 495.1352 6.050900 495.6173 4.829472 496.0994 5.769356 496.5815 6.676914 497.0637 5.980610 497.5458 4.444286 498.0279 4.028587 498.5100 5.971390 498.9921 9.076756 499.4742 10.22452 499.9564 8.637814 500.4385 7.052864 500.9206 5.317749 501.4027 4.123093 501.8848 4.326851 502.3669 5.659962 502.8491 6.725643 503.3312 6.166958 503.8133 4.769794 504.2954 4.968239 504.7775 7.210972 505.2596 8.873764 505.7418 8.275631 506.2239 6.636673 506.7060 5.658237 507.1881 5.470184 507.6702 5.778091 508.1523 7.160568 508.6345 8.712234 509.1166 8.682957 509.5987 6.810501 510.0808 4.543430 510.5629 2.911800 511.0450 1.917294 511.5272 1.440739 512.0093 2.259308 512.4914 2.609085 512.9735 1.420933 513.4556 0.2974130 513.9377 1.220005 514.4199 0.9982490 514.9020 0.1950450 515.3841 0.5767290 515.8662 1.382217 516.3483 1.715206 516.8304 0.9513240 517.3126 0.3700100 517.7947 0.5124050 518.2768 1.007858 518.7589 1.381351 519.2410 1.460037 519.7231 1.135311 520.2053 5.6800002E-04 520.6874 2.036957 521.1695 3.449879 521.6516 3.821438 522.1337 3.774784 522.6158 3.738325 523.0980 3.663893 523.5801 3.423889 524.0622 3.046579 524.5443 2.429964 525.0264 1.053019 525.5085 0.8557090 525.9907 1.733017 526.4728 0.8059620 526.9549 0.8681090 527.4370 1.825596 527.9191 2.066147 528.4012 1.706566 528.8834 3.0943001E-02 529.3655 1.671001 529.8476 2.140781 530.3297 1.643417 530.8118 0.8451750 531.2939 6.9242001E-02 531.7761 0.5671560 532.2582 0.7201100 532.7403 0.1031170 533.2224 0.4981750 533.7045 0.2298950 534.1866 0.7529070 534.6688 0.1663020 535.1509 2.049620 535.6330 3.302258 536.1151 2.746847 536.5972 1.037819 537.0793 0.2381230 537.5615 1.174368 538.0436 1.228758 538.5257 0.7804850 539.0078 2.954271 539.4899 3.427069 539.9720 2.235155 540.4542 1.173677 540.9363 1.199055 541.4184 1.827007 541.9005 2.455690 542.3826 3.053665 542.8647 3.621195 543.3469 4.249022 543.8290 4.755827 544.3111 4.586308 544.7932 3.405191 545.2753 2.449478 545.7574 1.774405 546.2396 1.470570 546.7217 2.134439 547.2038 3.390583 547.6859 3.637033 548.1680 1.550186 548.6501 2.057327 549.1323 3.506098 549.6144 1.538485 550.0965 0.5018330 550.5786 2.808311 551.0607 4.622932 551.5428 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