#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:28:19 +0300 (Thu, 26 Apr 2018) $ #$Revision: 472 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000034.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_1000034 loop_ _publ_author_name 'Bindi, L.' 'Menchetti, S.' _publ_section_title ; Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 25C ; _journal_name_full 'American Mineralogist' _journal_page_first 1641 _journal_page_last 1647 _journal_paper_doi 10.2138/am.2005.1808 _journal_volume 90 _journal_year 2005 _chemical_compound_source R060047 _chemical_formula_sum 'C2 H2 O12 Pb4 S' _chemical_name_mineral Leadhillite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _cell_angle_alpha 90 _cell_angle_beta 90.50 _cell_angle_gamma 90 _cell_length_a 9.104 _cell_length_b 20.792 _cell_length_c 11.577 _cell_volume 2191.331 _diffrn_ambient_temperature 298.15 _exptl_crystal_density_diffrn 6.541 _cod_original_formula_sum 'Pb4 S C2 O12 H2' _cod_database_code 9003814 _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 R060047.rod _rod_data_source.block 3500000 _rod_database.code 1000034 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 9003814 COD http://www.crystallography.net/cod/9003814.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 126.8838 0.0000000E+00 127.3659 1.458862 127.8481 4.516479 128.3302 7.158081 128.8123 9.551880 129.2944 12.89612 129.7765 18.09607 130.2586 24.13879 130.7408 29.10449 131.2229 32.73218 131.7050 35.00256 132.1871 35.63354 132.6692 35.63037 133.1513 36.75671 133.6335 39.01221 134.1156 41.27551 134.5977 42.45081 135.0798 42.98596 135.5619 43.32300 136.0440 44.22443 136.5262 46.54712 137.0083 49.44952 137.4904 53.87537 137.9725 60.37054 138.4546 66.29175 138.9367 68.29901 139.4189 66.43866 139.9010 63.78967 140.3831 61.08490 140.8652 58.10657 141.3473 55.89520 141.8294 53.81030 142.3116 50.85535 142.7937 46.63708 143.2758 41.71637 143.7579 36.80231 144.2400 32.78448 144.7221 28.16577 145.2043 22.22107 145.6864 15.76489 146.1685 10.19153 146.6506 6.412598 147.1327 4.356750 147.6148 2.030396 148.0970 1.267273 148.5791 4.305054 149.0612 6.719238 149.5433 8.317871 150.0254 8.799866 150.5075 7.607239 150.9896 4.788940 151.4718 2.366821 151.9539 1.082947 152.4360 0.2260740 152.9181 2.594971 153.4002 6.159546 153.8823 10.37933 154.3645 15.18109 154.8466 20.30646 155.3287 25.25250 155.8108 29.45258 156.2929 33.30444 156.7750 37.87659 157.2572 43.54340 157.7393 49.29776 158.2214 54.25061 158.7035 58.80646 159.1856 63.81531 159.6677 70.04712 160.1499 77.43256 160.6320 84.60309 161.1141 91.96356 161.5962 98.54724 162.0783 103.9771 162.5604 108.3336 163.0426 111.8336 163.5247 114.5626 164.0068 116.3642 164.4889 118.2373 164.9710 120.3073 165.4531 122.3496 165.9353 124.4814 166.4174 126.5839 166.8995 128.1917 167.3816 128.6039 167.8637 126.9549 168.3458 126.5179 168.8280 128.3771 169.3101 130.5868 169.7922 131.9604 170.2743 132.1638 170.7564 131.3496 171.2385 129.5620 171.7207 126.2263 172.2028 123.2017 172.6849 120.9457 173.1670 118.9147 173.6491 116.4510 174.1312 113.3073 174.6133 109.8330 175.0955 106.6577 175.5776 103.8502 176.0597 100.8157 176.5418 96.81577 177.0239 92.45221 177.5060 89.09247 177.9882 87.38843 178.4703 86.50409 178.9524 85.37985 179.4345 84.07422 179.9166 82.28009 180.3987 79.59695 180.8809 76.13181 181.3630 72.89105 181.8451 70.27765 182.3272 67.93008 182.8093 65.29935 183.2914 62.31268 183.7736 59.80112 184.2557 58.76743 184.7378 63.83524 185.2199 68.61069 185.7020 72.49765 186.1841 76.09769 186.6663 79.78787 187.1484 83.65335 187.6305 87.49039 188.1126 91.07733 188.5947 94.58578 189.0768 97.36261 189.5590 98.79803 190.0411 99.88565 190.5232 101.3087 191.0053 103.2837 191.4874 105.5201 191.9695 107.4968 192.4517 109.5209 192.9338 110.7327 193.4159 110.6403 193.8980 110.0387 194.3801 109.5105 194.8622 109.2784 195.3443 109.3703 195.8265 109.8230 196.3086 111.3240 196.7907 112.3895 197.2728 112.8364 197.7549 112.9230 198.2370 112.9284 198.7192 112.9758 199.2013 113.0342 199.6834 113.0015 200.1655 112.8380 200.6476 112.6231 201.1297 112.4436 201.6119 112.2116 202.0940 111.6829 202.5761 110.6598 203.0582 109.4858 203.5403 109.1741 204.0224 109.9747 204.5046 110.8496 204.9867 111.5396 205.4688 112.0373 205.9509 112.2519 206.4330 112.1245 206.9151 111.8206 207.3973 111.7062 207.8794 112.0715 208.3615 112.2215 208.8436 111.7660 209.3257 110.7556 209.8078 109.4963 210.2900 107.9624 210.7721 106.3690 211.2542 104.9505 211.7363 103.6757 212.2184 102.7106 212.7005 102.3444 213.1827 102.5758 213.6648 102.6319 214.1469 102.0013 214.6290 101.2566 215.1111 101.0200 215.5932 101.4210 216.0754 101.7482 216.5575 101.1450 217.0396 99.46768 217.5217 97.76105 218.0038 96.07089 218.4859 94.55899 218.9680 93.36502 219.4502 92.50900 219.9323 91.89236 220.4144 91.47806 220.8965 91.41373 221.3786 91.01099 221.8607 89.79105 222.3429 88.47928 222.8250 87.62433 223.3071 87.30614 223.7892 87.10733 224.2713 86.36636 224.7534 84.81064 225.2356 83.48415 225.7177 82.38086 226.1998 81.42641 226.6819 80.60110 227.1640 79.93277 227.6461 79.45367 228.1283 79.21558 228.6104 79.33517 229.0925 79.39012 229.5746 79.52043 230.0567 79.56281 230.5388 79.18137 231.0210 78.34500 231.5031 77.50232 231.9852 77.39307 232.4673 78.63666 232.9494 79.50101 233.4315 79.75253 233.9137 79.82535 234.3958 80.03442 234.8779 80.45197 235.3600 80.96219 235.8421 81.45233 236.3242 82.16017 236.8064 82.18163 237.2885 81.05455 237.7706 79.49844 238.2527 78.10873 238.7348 77.00447 239.2169 75.99551 239.6991 74.84735 240.1812 73.44727 240.6633 72.17619 241.1454 71.16374 241.6275 70.25433 242.1096 69.24258 242.5918 68.09305 243.0739 66.97147 243.5560 66.21452 244.0381 65.89597 244.5202 65.07938 245.0023 63.21396 245.4845 61.02116 245.9666 59.20691 246.4487 57.87222 246.9308 56.86696 247.4129 56.23964 247.8950 55.91676 248.3772 55.23285 248.8593 53.80232 249.3414 52.09416 249.8235 50.62331 250.3056 49.43494 250.7877 48.43364 251.2699 47.64833 251.7520 47.01598 252.2341 46.32375 252.7162 45.40524 253.1983 44.46574 253.6804 43.85126 254.1626 43.63014 254.6447 43.39415 255.1268 42.84013 255.6089 42.07100 256.0910 41.22862 256.5731 40.25346 257.0552 39.28427 257.5374 38.55435 258.0195 38.11893 258.5016 37.64436 258.9837 36.95381 259.4658 36.10355 259.9479 35.08411 260.4301 33.74031 260.9122 32.43340 261.3943 31.67749 261.8764 31.54097 262.3585 31.63734 262.8406 32.20558 263.3228 32.75565 263.8049 32.79173 264.2870 32.13231 264.7691 31.09560 265.2512 30.05911 265.7333 29.00925 266.2155 28.00583 266.6976 27.01126 267.1797 26.08470 267.6618 25.31813 268.1439 24.74463 268.6260 24.19276 269.1082 23.46138 269.5903 22.52792 270.0724 21.51624 270.5545 20.28230 271.0366 19.09863 271.5187 18.18837 272.0009 17.56819 272.4830 16.99330 272.9651 16.15009 273.4472 14.97409 273.9293 13.90228 274.4114 13.24802 274.8936 12.50142 275.3757 11.27233 275.8578 9.616577 276.3399 7.979858 276.8220 6.823982 277.3041 6.214050 277.7863 5.666710 278.2684 5.246330 278.7505 4.837059 279.2326 4.445137 279.7147 4.035789 280.1968 3.530281 280.6790 2.869736 281.1611 2.050262 281.6432 1.135544 282.1253 0.2702710 282.6074 1.390747 283.0895 1.801216 283.5717 1.735634 284.0538 1.694107 284.5359 2.055351 285.0180 2.773338 285.5001 3.314636 285.9822 3.376457 286.4644 3.592590 286.9465 4.370575 287.4286 5.350281 287.9107 5.950272 288.3928 5.813011 288.8749 5.116341 289.3571 4.630882 289.8392 4.447357 290.3213 4.371284 290.8034 4.425690 291.2855 4.549042 291.7676 4.676941 292.2498 4.778412 292.7319 4.863289 293.2140 4.967613 293.6961 5.185478 294.1782 5.262276 294.6603 5.130997 295.1425 4.899330 295.6246 4.678352 296.1067 4.495659 296.5888 4.271294 297.0709 3.839622 297.5530 2.975601 298.0351 2.341843 298.5172 2.214104 298.9994 2.092194 299.4815 1.493515 299.9636 0.4129260 300.4457 0.6395570 300.9278 0.9623950 301.4099 0.1699300 301.8921 7.8201003E-02 302.3742 0.5960620 302.8563 1.379471 303.3384 1.894157 303.8205 2.123985 304.3026 2.211929 304.7848 2.256210 305.2669 2.229134 305.7490 2.492332 306.2311 3.230904 306.7132 4.046898 307.1953 4.987831 307.6775 5.906494 308.1596 6.501564 308.6417 6.528793 309.1238 6.056770 309.6059 5.806396 310.0880 6.133415 310.5702 6.298256 311.0523 6.062805 311.5344 5.611168 312.0165 5.178619 312.4986 4.879204 312.9807 4.726143 313.4629 4.767769 313.9450 5.186348 314.4271 5.579453 314.9092 5.979805 315.3913 6.314804 315.8734 6.473236 316.3556 6.427162 316.8377 6.304100 317.3198 6.344818 317.8019 6.699936 318.2840 6.944427 318.7661 7.023811 319.2483 7.048683 319.7304 7.103859 320.2125 7.198364 320.6946 7.281303 321.1767 7.289879 321.6588 7.207520 322.1410 7.096985 322.6231 6.930405 323.1052 6.762238 323.5873 6.621101 324.0694 6.502556 324.5515 6.366226 325.0337 6.152908 325.5158 5.863510 325.9979 5.878242 326.4800 6.685028 326.9621 7.279251 327.4442 7.269394 327.9264 6.892365 328.4085 6.547462 328.8906 6.463318 329.3727 6.587387 329.8548 6.710236 330.3369 6.930084 330.8191 7.009651 331.3012 6.770958 331.7833 6.454514 332.2654 6.319183 332.7475 6.455757 333.2296 6.746216 333.7118 6.975754 334.1939 7.115524 334.6760 7.246178 335.1581 7.413963 335.6402 7.545670 336.1223 7.559380 336.6045 7.463875 337.0866 7.367973 337.5687 7.421059 338.0508 7.685776 338.5329 7.784355 339.0150 7.563133 339.4972 7.315956 339.9793 7.049286 340.4614 6.809875 340.9435 6.690811 341.4256 6.760803 341.9077 7.016052 342.3898 7.407784 342.8719 8.324883 343.3541 8.899292 343.8362 8.748413 344.3183 8.233864 344.8004 7.819504 345.2825 7.736794 345.7646 7.891541 346.2468 8.044220 346.7289 8.274109 347.2110 8.419678 347.6931 8.309464 348.1752 8.187698 348.6573 8.252991 349.1395 8.551453 349.6216 8.977859 350.1037 9.387741 350.5858 9.734039 351.0679 10.23375 351.5500 11.23129 352.0322 12.09076 352.5143 12.24840 352.9964 11.92075 353.4785 11.95064 353.9606 13.28175 354.4427 15.81172 354.9249 17.38658 355.4070 17.28946 355.8891 17.13104 356.3712 17.39906 356.8533 17.97610 357.3354 18.65059 357.8176 19.29370 358.2997 20.02429 358.7818 21.25905 359.2639 23.39281 359.7460 25.03043 360.2281 25.41704 360.7103 25.39372 361.1924 25.72958 361.6745 26.62489 362.1566 27.57614 362.6387 27.97638 363.1208 27.79091 363.6030 27.47211 364.0851 27.06557 364.5672 26.55162 365.0493 25.92696 365.5314 25.19254 366.0135 24.34741 366.4957 23.37938 366.9778 22.29782 367.4599 21.08290 367.9420 19.54532 368.4241 18.25882 368.9063 17.87674 369.3884 17.90695 369.8705 17.43954 370.3526 15.84779 370.8347 13.90045 371.3168 12.75974 371.7990 12.51480 372.2811 12.37697 372.7632 12.04591 373.2453 11.63426 373.7274 11.28345 374.2095 11.01936 374.6917 10.75792 375.1738 10.35184 375.6559 9.865662 376.1380 9.605804 376.6201 9.637009 377.1022 9.932251 377.5844 10.47333 378.0665 11.23785 378.5486 12.17264 379.0307 13.44603 379.5128 14.80330 379.9949 15.79959 380.4771 16.36885 380.9592 16.93182 381.4413 17.77118 381.9234 18.86227 382.4055 20.05191 382.8876 21.45110 383.3698 22.84143 383.8519 24.08713 384.3340 25.19965 384.8161 26.20747 385.2982 27.04813 385.7803 27.88971 386.2624 29.11858 386.7445 30.79573 387.2267 32.56195 387.7088 34.51653 388.1909 36.44073 388.6730 37.89536 389.1551 38.79219 389.6372 39.71704 390.1194 41.38057 390.6015 43.95381 391.0836 46.07225 391.5657 47.30865 392.0478 48.46146 392.5299 50.04527 393.0121 51.98643 393.4942 53.89670 393.9763 55.51515 394.4584 56.93759 394.9405 58.70250 395.4226 61.02242 395.9048 63.37968 396.3869 65.61107 396.8690 67.87796 397.3511 70.41068 397.8332 73.26720 398.3153 76.34554 398.7975 79.46024 399.2796 82.61162 399.7617 85.88065 400.2438 89.61292 400.7259 93.15192 401.2080 96.00716 401.6902 98.29337 402.1723 100.4254 402.6544 102.6932 403.1365 105.1124 403.6186 107.8727 404.1007 111.0330 404.5829 114.5111 405.0650 118.4963 405.5471 122.6934 406.0292 126.6429 406.5113 130.1767 406.9934 133.7517 407.4756 138.2765 407.9577 144.0453 408.4398 149.8709 408.9219 155.5238 409.4040 161.3221 409.8861 167.7313 410.3683 174.5789 410.8504 181.0224 411.3325 186.2100 411.8146 190.3412 412.2967 194.7514 412.7788 199.4474 413.2610 204.4627 413.7431 210.2527 414.2252 216.2259 414.7073 221.5124 415.1894 225.7246 415.6715 229.4397 416.1537 233.3991 416.6358 237.6170 417.1179 241.8130 417.6000 246.1878 418.0821 250.2419 418.5642 253.3832 419.0464 255.6114 419.5285 257.9577 420.0106 261.4084 420.4927 265.3028 420.9748 268.0637 421.4569 269.3985 421.9391 270.3242 422.4212 271.3553 422.9033 272.5831 423.3854 274.2931 423.8675 276.6435 424.3496 279.3654 424.8318 282.5321 425.3139 285.9800 425.7960 289.2150 426.2781 292.1563 426.7602 294.5089 427.2423 295.6474 427.7245 295.6619 428.2066 294.5692 428.6887 292.1746 429.1708 288.7777 429.6529 284.3548 430.1350 279.0581 430.6172 273.7014 431.0992 269.0206 431.5814 265.0606 432.0635 260.4699 432.5456 254.5535 433.0277 248.9184 433.5098 244.0167 433.9919 239.7040 434.4741 235.6808 434.9562 231.7951 435.4383 228.1333 435.9204 224.9209 436.4025 222.5943 436.8846 219.8751 437.3668 216.4985 437.8489 212.9834 438.3310 209.6660 438.8131 206.5279 439.2952 203.4233 439.7773 200.3274 440.2595 197.1566 440.7416 193.0646 441.2237 187.6250 441.7058 181.7776 442.1879 175.8229 442.6700 169.6908 443.1522 163.1955 443.6343 156.2484 444.1164 149.0992 444.5985 141.9109 445.0806 134.7198 445.5627 127.6575 446.0449 120.6493 446.5270 114.0022 447.0091 107.8687 447.4912 102.1820 447.9733 96.64073 448.4554 90.77005 448.9376 85.08275 449.4197 80.57375 449.9018 77.29788 450.3839 74.38455 450.8660 71.62534 451.3481 68.90114 451.8303 65.95223 452.3124 62.60913 452.7945 59.37595 453.2766 56.41269 453.7587 53.79468 454.2408 51.70349 454.7230 50.21117 455.2051 48.89954 455.6872 47.38718 456.1693 45.65202 456.6514 43.82351 457.1335 41.63633 457.6157 39.60187 458.0978 38.09216 458.5799 36.97203 459.0620 35.88840 459.5441 34.66519 460.0262 33.40802 460.5084 32.41683 460.9905 31.82429 461.4726 31.32791 461.9547 31.10714 462.4368 30.86119 462.9189 30.16447 463.4011 29.13416 463.8832 28.41629 464.3653 28.63094 464.8474 29.70928 465.3295 30.50002 465.8116 30.96219 466.2938 31.15769 466.7759 31.15427 467.2580 30.87955 467.7401 30.16838 468.2222 28.98574 468.7043 27.62619 469.1865 26.54887 469.6686 25.80443 470.1507 24.70790 470.6328 22.79992 471.1149 20.99968 471.5970 19.92604 472.0792 19.35376 472.5613 18.68248 473.0434 17.63390 473.5255 16.35510 474.0076 15.01187 474.4897 13.59936 474.9719 12.22861 475.4540 10.94975 475.9361 9.734642 476.4182 8.564247 476.9003 7.449711 477.3824 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