#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:29:10 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1136 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000559.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_1000559 loop_ _publ_author_name 'Mereiter, K.' _publ_section_title ; Chenite, Pb4Cu(SO4)2(OH)6, from Susanna mine, Leadhills, Scotland. Note: Crystal is from the Paar et al (1986) mineral description paper Locality: Susanna mine, Leadhills, Scotland ; _journal_name_full 'Private communication' _journal_page_first 1 _journal_page_last 1 _journal_volume 1 _journal_year 2009 _chemical_compound_source R130278 _chemical_formula_structural Pb4Cu(SO4)2(OH)6 _chemical_formula_sum 'Cu H6 O14 Pb4 S2' _chemical_name_mineral Chenite _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 111.994 _cell_angle_beta 97.765 _cell_angle_gamma 100.426 _cell_length_a 5.7960 _cell_length_b 7.9471 _cell_length_c 7.9836 _cell_volume 326.939 _exptl_crystal_density_diffrn 6.026 _cod_original_formula_sum 'Pb4 Cu S2 O14 H6' _cod_database_code 9014000 _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 R130278.rod _rod_data_source.block 3500000 _rod_database.code 1000559 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 9014000 COD http://www.crystallography.net/cod/9014000.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 172.6772 0.0000000E+00 173.1594 7.4419999E-03 173.6415 0.1053370 174.1236 0.3473210 174.6057 0.6994510 175.0878 0.8758750 175.5699 0.6962620 176.0521 0.6134090 176.5342 0.6444870 177.0163 0.7801570 177.4984 0.8168010 177.9805 0.6179520 178.4626 0.3138350 178.9448 0.3362940 179.4269 0.4353870 179.9090 0.5113930 180.3911 0.4717040 180.8732 0.3444400 181.3553 0.2323360 181.8375 0.2313020 182.3196 0.3622760 182.8017 0.3899060 183.2838 0.2457940 183.7659 8.4201999E-02 184.2480 6.2328000E-02 184.7301 0.1709290 185.2123 0.1753220 185.6944 1.8841000E-02 186.1765 0.4531880 186.6586 0.6777230 187.1407 0.5387610 187.6228 0.3075700 188.1050 0.1741810 188.5871 0.1599310 189.0692 0.1870980 189.5513 0.1879060 190.0334 0.1625790 190.5155 0.1382100 190.9977 9.5123000E-02 191.4798 6.4727999E-02 191.9619 8.8859998E-02 192.4440 0.1781180 192.9261 0.2918380 193.4082 0.4104840 193.8904 0.5282040 194.3725 0.6144980 194.8546 0.6138380 195.3367 0.5830570 195.8188 0.6618730 196.3009 0.9277520 196.7831 1.153921 197.2652 1.087631 197.7473 0.8397270 198.2294 0.7001900 198.7115 0.8527430 199.1936 1.245687 199.6758 1.675711 200.1579 2.248346 200.6400 2.690660 201.1221 2.832859 201.6042 2.745083 202.0863 2.597441 202.5685 2.480373 203.0506 2.395027 203.5327 2.369169 204.0148 2.415529 204.4969 2.518503 204.9790 2.716208 205.4612 2.968685 205.9433 3.186024 206.4254 3.270620 206.9075 3.209879 207.3896 3.262907 207.8717 3.569693 208.3539 3.868713 208.8360 4.101049 209.3181 4.256973 209.8002 4.341293 210.2823 4.353468 210.7644 4.288017 211.2466 4.197842 211.7287 3.985228 212.2108 3.839579 212.6929 3.900116 213.1750 4.114357 213.6571 4.306883 214.1393 4.311026 214.6214 4.093044 215.1035 3.913843 215.5856 3.762091 216.0677 3.647943 216.5498 3.597061 217.0320 3.596655 217.5141 3.595789 217.9962 3.546206 218.4783 3.439882 218.9604 3.353411 219.4425 3.288109 219.9247 3.238127 220.4068 3.178928 220.8889 3.119011 221.3710 3.119507 221.8531 3.252361 222.3352 3.527391 222.8174 3.724150 223.2995 3.852053 223.7816 3.897827 224.2637 3.803804 224.7458 3.577604 225.2279 3.383455 225.7100 3.301249 226.1922 3.321796 226.6743 3.438744 227.1564 3.819458 227.6385 4.196606 228.1206 4.276875 228.6027 4.036371 229.0849 3.761866 229.5670 3.620256 230.0491 3.615353 230.5312 3.755274 231.0133 4.224514 231.4954 4.734173 231.9776 4.884449 232.4597 4.616903 232.9418 4.400513 233.4239 4.620218 233.9060 5.071747 234.3881 5.463196 234.8703 5.744289 235.3524 5.914852 235.8345 5.921717 236.3166 5.705044 236.7987 5.568817 237.2808 5.762766 237.7630 6.102304 238.2451 6.412802 238.7272 6.673325 239.2093 6.833046 239.6914 6.753229 240.1735 6.325874 240.6557 6.009325 241.1378 6.086008 241.6199 6.308084 242.1020 6.460938 242.5841 6.481485 243.0662 6.389547 243.5484 6.188663 244.0305 5.801455 244.5126 5.480799 244.9947 5.348440 245.4768 5.281157 245.9589 5.184986 246.4410 5.028900 246.9232 4.824398 247.4053 4.583780 247.8874 4.296896 248.3695 3.998631 248.8516 3.594614 249.3337 3.236593 249.8159 3.099041 250.2980 3.225502 250.7801 3.421761 251.2622 3.324371 251.7443 2.713923 252.2264 2.312349 252.7086 2.291342 253.1907 2.395897 253.6728 2.455597 254.1549 2.424757 254.6370 2.358883 255.1191 2.343903 255.6013 2.408558 256.0834 2.464617 256.5655 2.582657 257.0476 2.644247 257.5297 2.526794 258.0118 2.230967 258.4940 1.898577 258.9761 1.743410 259.4582 1.922644 259.9403 1.870272 260.4224 1.310942 260.9045 0.7789650 261.3867 0.6486260 261.8688 0.9291900 262.3509 1.347275 262.8330 1.599798 263.3151 1.659496 263.7972 1.630972 264.2794 1.406069 264.7615 1.200718 265.2436 1.155577 265.7257 1.259386 266.2078 1.401213 266.6899 1.479008 267.1721 1.490345 267.6542 1.436678 268.1363 1.282278 268.6184 1.110111 269.1005 0.9382840 269.5826 0.7805020 270.0648 0.6623460 270.5469 0.6062850 271.0290 0.6143650 271.5111 0.6465280 271.9932 0.7792700 272.4753 0.8571990 272.9575 0.7853470 273.4396 0.5993560 273.9217 0.3955480 274.4038 0.2313310 274.8859 0.1079520 275.3680 5.1573001E-02 275.8501 0.1731820 276.3322 0.2269760 276.8144 4.9993999E-02 277.2965 0.2597030 277.7786 0.4770620 278.2607 0.4723700 278.7428 0.2946430 279.2249 0.1482030 279.7071 1.2135000E-02 280.1892 7.7725999E-02 280.6713 8.8826999E-02 281.1534 5.0292999E-02 281.6355 1.3054000E-02 282.1176 7.2100002E-04 282.5998 2.0500000E-03 283.0819 2.5263000E-02 283.5640 0.1271020 284.0461 0.1457350 284.5282 4.0789001E-02 285.0103 0.3074510 285.4925 0.4699170 285.9746 0.4654710 286.4567 0.3541320 286.9388 0.2028500 287.4209 4.7954999E-02 287.9030 0.1390600 288.3852 0.1229320 288.8673 0.5064370 289.3494 0.7220030 289.8315 0.7012160 290.3136 0.5760030 290.7957 0.4769400 291.2779 0.3968080 291.7600 0.4223650 292.2421 0.6819210 292.7242 0.9837930 293.2063 1.126243 293.6884 1.085516 294.1706 0.9958670 294.6527 0.9790620 295.1348 1.036520 295.6169 1.064291 296.0990 1.087553 296.5811 1.059156 297.0633 0.8984750 297.5454 0.6193690 298.0275 0.3684760 298.5096 0.2366790 298.9917 0.2309570 299.4738 0.3022100 299.9560 0.5758370 300.4381 0.8111240 300.9202 0.8408880 301.4023 0.6990260 301.8844 0.5416310 302.3665 0.4372330 302.8487 0.3827510 303.3308 0.3661840 303.8129 0.4410620 304.2950 0.4657830 304.7771 0.2945170 305.2592 1.8821999E-02 305.7414 0.1059220 306.2235 4.5896001E-02 306.7056 0.3388230 307.1877 0.5182380 307.6698 0.5818500 308.1519 0.5920100 308.6341 0.5069430 309.1162 0.3936220 309.5983 0.3740250 310.0804 0.4854120 310.5625 0.6681000 311.0446 0.8624810 311.5268 1.071681 312.0089 1.251402 312.4910 1.349660 312.9731 1.433687 313.4552 1.611131 313.9373 1.901482 314.4195 2.166659 314.9016 2.222201 315.3837 2.095575 315.8658 2.176763 316.3479 2.734955 316.8300 3.344136 317.3121 3.630781 317.7943 3.599702 318.2764 3.492991 318.7585 3.424424 319.2406 3.421211 319.7227 3.552114 320.2048 3.980473 320.6870 4.377460 321.1691 4.560688 321.6512 4.561680 322.1333 4.466274 322.6154 4.265491 323.0975 4.051770 323.5797 4.080048 324.0618 4.454671 324.5439 4.796726 325.0260 4.932560 325.5081 4.950859 325.9902 5.049913 326.4724 5.317045 326.9545 5.585798 327.4366 5.537346 327.9187 5.101955 328.4008 4.815695 328.8829 4.874116 329.3651 5.086940 329.8472 5.232134 330.3293 5.272075 330.8114 5.312092 331.2935 5.494576 331.7756 5.831154 332.2578 5.961653 332.7399 5.713754 333.2220 5.380810 333.7041 5.144165 334.1862 5.012026 334.6683 4.966951 335.1505 5.028734 335.6326 5.174540 336.1147 5.199266 336.5968 4.995935 337.0789 4.808620 337.5610 4.756113 338.0432 4.769294 338.5253 4.705495 339.0074 4.492245 339.4895 4.210588 339.9716 4.068607 340.4537 4.119406 340.9359 4.208012 341.4180 4.331717 341.9001 4.453448 342.3822 4.523030 342.8643 4.524921 343.3464 4.505625 343.8286 4.533182 344.3107 4.650679 344.7928 4.653872 345.2749 4.499835 345.7570 4.279890 346.2391 4.006390 346.7213 3.686973 347.2034 3.395742 347.6855 3.209587 348.1676 3.135030 348.6497 3.167147 349.1318 3.474523 349.6140 3.702740 350.0961 3.604584 350.5782 3.305331 351.0603 3.120686 351.5424 3.250005 352.0245 3.596467 352.5067 3.740466 352.9888 3.342625 353.4709 3.164780 353.9530 3.442392 354.4351 3.931406 354.9172 4.388360 355.3994 4.721016 355.8815 4.915233 356.3636 4.930689 356.8457 4.593650 357.3278 4.435258 357.8099 4.509173 358.2920 4.702188 358.7741 5.002619 359.2563 5.369814 359.7384 5.679012 360.2205 5.788034 360.7026 5.658940 361.1847 5.701338 361.6668 6.080293 362.1490 6.447092 362.6311 6.709177 363.1132 6.872250 363.5953 6.937169 364.0774 6.895927 364.5595 6.800982 365.0417 6.894796 365.5238 7.424887 366.0059 7.803961 366.4880 7.941425 366.9701 7.915883 367.4522 7.753008 367.9344 7.476645 368.4165 7.198210 368.8986 7.116024 369.3807 7.342844 369.8628 7.458242 370.3449 7.509924 370.8271 7.405917 371.3092 7.003654 371.7913 6.365108 372.2734 5.722326 372.7555 5.285896 373.2376 5.050200 373.7198 4.807836 374.2019 4.561372 374.6840 4.303047 375.1661 4.004871 375.6482 3.698953 376.1303 3.436388 376.6125 3.241392 377.0946 3.100049 377.5767 3.005131 378.0588 3.010129 378.5409 2.906676 379.0230 2.522033 379.5052 2.077650 379.9873 1.737186 380.4694 1.533397 380.9515 1.403328 381.4336 1.290031 381.9157 1.193528 382.3979 1.142048 382.8800 1.195219 383.3621 1.225690 383.8442 1.137801 384.3263 0.9556570 384.8084 0.7651990 385.2906 0.5796160 385.7727 0.4249100 386.2548 0.3861890 386.7369 0.5028650 387.2190 0.5936330 387.7011 0.5010410 388.1833 0.3318200 388.6654 0.2446260 389.1475 0.3088450 389.6296 0.3881090 390.1117 0.3382010 390.5938 0.1790000 391.0760 8.0219001E-02 391.5581 0.1389110 392.0402 0.2288420 392.5223 0.1647060 393.0044 6.1179999E-02 393.4865 0.2902440 393.9687 0.5279650 394.4508 0.7090920 394.9329 0.6913010 395.4150 0.4399030 395.8971 0.1411770 396.3792 6.9467999E-02 396.8614 0.1848170 397.3435 0.2125000 397.8256 6.4218998E-02 398.3077 9.4378002E-02 398.7898 0.1524720 399.2719 0.1272460 399.7540 9.3473002E-02 400.2361 9.3208998E-02 400.7183 0.1008920 401.2004 2.8769000E-02 401.6825 0.2399450 402.1646 0.3746070 402.6467 0.1753230 403.1288 0.1226450 403.6110 0.2362980 404.0931 0.1052640 404.5752 0.1252490 405.0573 0.2934360 405.5394 0.3897090 406.0215 0.4570770 406.5037 0.5025770 406.9858 0.5170410 407.4679 0.4473820 407.9500 0.3408470 408.4321 0.3110570 408.9142 0.4341510 409.3964 0.6771200 409.8785 0.8914690 410.3606 1.148959 410.8427 1.272081 411.3248 1.097457 411.8069 0.8658530 412.2891 0.8086750 412.7712 0.9834170 413.2533 1.283251 413.7354 1.588178 414.2175 1.922418 414.6996 2.167900 415.1818 2.226115 415.6639 2.284096 416.1460 2.425303 416.6281 2.626075 417.1102 2.813441 417.5923 2.937086 418.0745 3.018125 418.5566 3.118930 419.0387 3.206549 419.5208 3.390573 420.0029 3.818809 420.4850 4.290132 420.9672 4.593765 421.4493 4.675122 421.9314 4.714434 422.4135 4.883999 422.8956 5.179918 423.3777 5.526289 423.8599 5.919909 424.3420 6.354157 424.8241 6.796643 425.3062 7.264107 425.7883 7.827208 426.2704 8.573053 426.7526 9.406899 427.2347 10.20475 427.7168 10.97278 428.1989 11.67308 428.6810 12.30794 429.1631 12.83594 429.6453 13.20866 430.1274 13.41553 430.6095 13.49303 431.0916 13.60847 431.5737 13.58378 432.0558 12.92702 432.5380 11.45262 433.0201 9.810420 433.5022 8.752472 433.9843 8.366274 434.4664 8.000581 434.9485 7.599299 435.4307 7.244221 435.9128 6.977601 436.3949 6.803708 436.8770 6.740166 437.3591 6.811655 437.8412 6.970100 438.3234 7.030967 438.8055 6.724144 439.2876 6.671057 439.7697 7.068020 440.2518 7.648342 440.7339 8.196731 441.2160 8.651052 441.6982 9.032415 442.1803 9.359433 442.6624 9.631867 443.1445 9.861260 443.6266 10.00930 444.1087 10.17177 444.5909 10.34195 445.0730 10.51903 445.5551 10.74783 446.0372 11.05150 446.5193 11.37377 447.0014 11.61805 447.4836 11.83431 447.9657 11.81843 448.4478 11.32541 448.9299 10.73129 449.4120 10.30398 449.8941 10.04049 450.3763 9.711045 450.8584 9.024347 451.3405 8.094857 451.8226 7.484714 452.3047 7.333372 452.7868 7.189815 453.2690 6.708627 453.7511 6.100911 454.2332 5.663634 454.7153 5.502708 455.1974 5.415990 455.6795 5.254461 456.1617 5.021802 456.6438 4.745236 457.1259 4.418674 457.6080 4.090938 458.0901 3.795403 458.5722 3.523075 459.0544 3.404606 459.5365 3.596090 460.0186 3.843986 460.5007 3.956556 460.9828 3.916714 461.4649 3.772988 461.9471 3.546640 462.4292 3.272403 462.9113 3.063920 463.3934 2.900702 463.8755 2.828532 464.3576 2.924783 464.8398 3.052888 465.3219 3.051508 465.8040 2.904542 466.2861 2.764587 466.7682 2.813113 467.2503 3.079348 467.7325 3.253446 468.2146 3.333275 468.6967 3.318198 469.1788 3.138583 469.6609 2.879181 470.1430 2.656954 470.6252 2.523727 471.1073 2.452972 471.5894 2.411281 472.0715 2.413541 472.5536 2.380217 473.0357 2.294147 473.5179 2.171549 474.0000 2.010818 474.4821 1.819601 474.9642 1.617234 475.4463 1.371649 475.9284 1.139100 476.4106 1.085280 476.8927 1.250580 477.3748 1.338951 477.8569 1.146396 478.3390 0.8282930 478.8211 0.6268970 479.3033 0.5634220 479.7854 0.5740290 480.2675 0.6796560 480.7496 0.8244840 481.2317 0.9078790 481.7138 0.9155960 482.1959 0.8778000 482.6780 0.7980810 483.1602 0.6856030 483.6423 0.6257210 484.1244 0.7024870 484.6065 0.7524830 485.0886 0.6425480 485.5707 0.4611930 486.0529 0.3661790 486.5350 0.4147230 487.0171 0.5208400 487.4992 0.5366700 487.9813 0.3967810 488.4634 0.3481010 488.9456 0.5000900 489.4277 0.6228720 489.9098 0.5534170 490.3919 0.3656900 490.8740 0.2520340 491.3561 0.3428420 491.8383 0.5416520 492.3204 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