#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:47:34 +0300 (Thu, 07 Jun 2018) $ #$Revision: 970 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000430.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_1000430 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 R130276 _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 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 R130276.rod _rod_data_source.block 3500000 _rod_database.code 1000430 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 171.3215 0.0000000E+00 171.8036 0.2555960 172.2857 0.7571220 172.7678 1.469009 173.2499 1.590885 173.7321 1.098473 174.2142 2.488522 174.6963 2.327168 175.1784 2.170971 175.6605 1.885277 176.1426 0.8049160 176.6248 0.4347190 177.1069 0.8676830 177.5890 0.2896840 178.0711 0.5886840 178.5532 0.9132500 179.0353 0.8653110 179.5175 1.052032 179.9996 2.014297 180.4817 3.419140 180.9638 4.671448 181.4459 5.704033 181.9280 6.571648 182.4102 7.303772 182.8923 7.904434 183.3744 8.575584 183.8565 9.421082 184.3386 10.42760 184.8207 11.52197 185.3029 12.73399 185.7850 13.98647 186.2671 15.28960 186.7492 16.62106 187.2313 17.72191 187.7134 18.13647 188.1956 18.07395 188.6777 18.53638 189.1598 19.83505 189.6419 21.57921 190.1240 22.86468 190.6061 23.68899 191.0883 24.60661 191.5704 26.18775 192.0525 28.37097 192.5346 30.30873 193.0167 31.70190 193.4988 32.78284 193.9810 34.06099 194.4631 35.47101 194.9452 37.05284 195.4273 38.33220 195.9094 39.31940 196.3915 40.51768 196.8737 42.04368 197.3558 43.82374 197.8379 45.71297 198.3200 47.73725 198.8021 49.72436 199.2842 51.53810 199.7664 53.20450 200.2485 54.61394 200.7306 55.70395 201.2127 56.53311 201.6948 57.45178 202.1769 58.48615 202.6591 59.54784 203.1412 60.52115 203.6233 61.39941 204.1054 62.30296 204.5875 63.21745 205.0696 64.16301 205.5518 65.45949 206.0339 67.31662 206.5160 69.05624 206.9981 69.79798 207.4802 69.24727 207.9623 69.05612 208.4445 69.74433 208.9266 71.26437 209.4087 72.34815 209.8908 72.90435 210.3729 73.21967 210.8550 73.64665 211.3372 74.28283 211.8193 74.66451 212.3014 74.65130 212.7835 74.24230 213.2656 73.70267 213.7477 72.92031 214.2299 72.16132 214.7120 71.79149 215.1941 71.97231 215.6762 72.08015 216.1583 71.96088 216.6404 71.60506 217.1226 71.18943 217.6047 70.78330 218.0868 70.23637 218.5689 69.30684 219.0510 67.78469 219.5331 66.36863 220.0153 65.22656 220.4974 64.37572 220.9795 63.60203 221.4616 62.94855 221.9437 62.32825 222.4258 61.59175 222.9080 60.60944 223.3901 59.80472 223.8722 59.35516 224.3543 59.31759 224.8364 59.09840 225.3185 58.60558 225.8007 58.01228 226.2828 57.52419 226.7649 57.16527 227.2470 56.95883 227.7291 56.82399 228.2112 56.77634 228.6934 56.91530 229.1755 57.20402 229.6576 57.53186 230.1397 57.53964 230.6218 57.02781 231.1039 56.55444 231.5861 56.29048 232.0682 56.27507 232.5503 56.22369 233.0324 56.10726 233.5145 56.00269 233.9966 55.95003 234.4788 55.67410 234.9609 55.86240 235.4430 56.99481 235.9251 59.32674 236.4072 60.51283 236.8893 60.03883 237.3715 58.85238 237.8536 58.15390 238.3357 58.27676 238.8178 58.24747 239.2999 57.68923 239.7820 56.45671 240.2642 55.83023 240.7463 56.12384 241.2284 56.75089 241.7105 57.01878 242.1926 56.87793 242.6747 56.46347 243.1569 55.79934 243.6390 54.88022 244.1211 53.68034 244.6032 51.93910 245.0853 50.14092 245.5674 48.93350 246.0496 48.85760 246.5317 48.36311 247.0138 46.96434 247.4959 44.54853 247.9780 42.48474 248.4601 40.75774 248.9423 39.38120 249.4244 38.43823 249.9065 38.23157 250.3886 37.86433 250.8707 37.09548 251.3528 35.91000 251.8350 34.79079 252.3171 33.68898 252.7992 32.71502 253.2813 32.00245 253.7634 31.64627 254.2455 31.36105 254.7277 31.17690 255.2098 31.09898 255.6919 30.57048 256.1740 29.33039 256.6561 27.96119 257.1382 27.01007 257.6204 26.52060 258.1025 26.34983 258.5846 26.63498 259.0667 27.33594 259.5488 27.50868 260.0309 27.02686 260.5131 26.19682 260.9952 25.21751 261.4773 23.94168 261.9594 22.92218 262.4415 22.28737 262.9236 22.00826 263.4058 21.88285 263.8879 22.09216 264.3700 22.15373 264.8521 21.59110 265.3342 20.15247 265.8163 18.96353 266.2985 18.26416 266.7806 17.95966 267.2627 17.51273 267.7448 16.91808 268.2269 16.19138 268.7090 15.27893 269.1912 14.07715 269.6733 13.12440 270.1554 12.58910 270.6375 12.32182 271.1196 11.68790 271.6017 10.55788 272.0839 9.417877 272.5660 8.693604 273.0481 8.487915 273.5302 7.982635 274.0123 7.011261 274.4944 5.745850 274.9766 4.609131 275.4587 3.559097 275.9408 2.807632 276.4229 2.637741 276.9050 3.116226 277.3871 3.325668 277.8693 3.170212 278.3514 2.751541 278.8335 2.214905 279.3156 1.512604 279.7977 0.9547880 280.2798 0.8744510 280.7620 1.276016 281.2441 1.129913 281.7262 0.2296300 282.2083 0.9547270 282.6904 1.557938 283.1725 1.547256 283.6547 1.443436 284.1368 1.492111 284.6189 1.680389 285.1010 1.862427 285.5831 2.053146 286.0652 2.187698 286.5474 2.171143 287.0295 2.003952 287.5116 1.737762 287.9937 1.286407 288.4758 0.7128600 288.9579 0.4233860 289.4401 0.4307100 289.9222 0.6180880 290.4043 0.9506990 290.8864 1.395477 291.3685 1.689301 291.8506 1.756073 292.3328 1.593903 292.8149 1.053116 293.2970 9.1109999E-02 293.7791 0.7660220 294.2612 0.7224120 294.7433 3.1265002E-02 295.2255 0.2801670 295.7076 0.3403470 296.1897 1.431778 296.6718 2.077621 297.1539 2.284378 297.6360 2.371918 298.1182 2.615631 298.6003 2.947052 299.0824 3.192307 299.5645 3.251633 300.0466 3.261307 300.5287 3.377594 301.0109 3.602737 301.4930 3.966415 301.9751 4.651688 302.4572 5.460159 302.9393 5.988449 303.4214 6.003326 303.9036 5.999969 304.3857 6.540710 304.8678 7.528107 305.3499 8.621780 305.8320 9.670471 306.3141 10.68144 306.7963 11.64365 307.2784 12.56577 307.7605 13.44214 308.2426 14.18831 308.7247 14.87869 309.2068 15.69220 309.6890 16.76358 310.1711 17.96997 310.6532 19.20442 311.1353 20.45029 311.6174 21.71048 312.0995 22.88908 312.5817 24.07811 313.0638 25.44240 313.5459 27.17967 314.0280 29.02946 314.5101 30.84879 314.9922 32.61984 315.4744 34.39912 315.9565 36.15961 316.4386 37.95682 316.9207 39.82994 317.4028 41.79567 317.8849 43.86189 318.3671 46.13420 318.8492 48.61182 319.3313 50.87839 319.8134 52.56323 320.2955 54.11276 320.7776 55.86176 321.2598 57.76529 321.7419 60.01266 322.2240 62.90591 322.7061 66.28468 323.1882 69.32309 323.6703 71.65266 324.1525 73.74991 324.6346 75.84729 325.1167 77.99289 325.5988 80.13179 326.0809 82.18005 326.5630 84.21237 327.0452 86.44034 327.5273 89.16519 328.0094 91.81613 328.4915 94.20006 328.9736 96.20451 329.4557 98.13802 329.9379 99.94760 330.4200 101.7105 330.9021 103.5216 331.3842 105.3978 331.8663 107.3148 332.3484 109.3327 332.8306 111.4708 333.3127 113.3157 333.7948 114.6746 334.2769 115.9209 334.7590 117.5040 335.2411 119.7097 335.7233 121.6421 336.2054 123.0203 336.6875 123.9046 337.1696 125.1004 337.6517 126.8696 338.1339 128.4375 338.6160 129.0523 339.0981 128.5155 339.5802 127.9798 340.0623 127.6448 340.5444 127.4150 341.0266 126.9175 341.5087 126.0957 341.9908 125.0956 342.4729 124.0794 342.9550 123.0747 343.4371 121.7377 343.9193 120.0156 344.4014 118.0022 344.8835 115.8044 345.3656 113.4104 345.8477 111.0455 346.3298 109.0651 346.8120 107.2974 347.2941 104.8456 347.7762 101.5300 348.2583 98.20139 348.7404 95.98680 349.2225 94.67947 349.7047 93.38513 350.1868 91.71182 350.6689 89.88554 351.1510 88.13554 351.6331 86.45485 352.1152 85.16373 352.5974 84.79677 353.0795 84.96965 353.5616 84.98279 354.0437 84.53300 354.5258 83.96733 355.0079 83.52769 355.4901 83.24033 355.9722 83.20560 356.4543 83.73007 356.9364 84.42524 357.4185 84.81956 357.9006 84.64475 358.3828 84.66933 358.8649 85.33193 359.3470 86.54469 359.8291 88.12737 360.3112 90.40839 360.7933 92.72852 361.2755 94.61224 361.7576 95.92427 362.2397 97.47039 362.7218 99.73710 363.2039 102.3324 363.6860 104.8187 364.1682 107.2681 364.6503 109.4257 365.1324 111.1748 365.6145 112.5345 366.0966 113.5642 366.5787 114.3558 367.0609 114.7712 367.5430 114.7216 368.0251 114.3979 368.5072 113.3625 368.9893 111.3817 369.4714 108.6500 369.9536 105.8300 370.4357 103.1039 370.9178 100.0851 371.3999 96.66456 371.8820 92.82346 372.3641 88.53813 372.8463 83.66360 373.3284 78.48958 373.8105 73.32040 374.2926 67.89765 374.7747 63.05682 375.2568 59.18744 375.7390 56.28671 376.2211 52.83856 376.7032 48.54794 377.1853 44.24164 377.6674 40.64126 378.1495 37.79382 378.6317 35.13734 379.1138 32.56315 379.5959 30.08851 380.0780 27.64696 380.5601 25.24109 381.0422 22.99001 381.5244 21.02282 382.0065 19.28897 382.4886 17.57697 382.9707 15.79869 383.4528 14.18652 383.9349 13.21072 384.4171 12.74971 384.8992 12.14907 385.3813 10.87062 385.8634 9.301315 386.3455 8.036797 386.8276 7.102310 387.3098 6.441147 387.7919 6.312164 388.2740 6.371498 388.7561 5.987961 389.2382 4.505600 389.7203 2.929039 390.2025 2.198929 390.6846 2.169159 391.1667 2.134415 391.6488 1.656296 392.1309 1.030930 392.6130 0.5060040 393.0952 0.1732560 393.5773 0.1305470 394.0594 0.4954220 394.5415 0.8706820 395.0236 1.163025 395.5057 1.364319 395.9879 1.457390 396.4700 1.369507 396.9521 1.042839 397.4342 0.8840480 397.9163 1.191788 398.3984 1.580711 398.8806 1.699112 399.3627 1.116882 399.8448 0.7313610 400.3269 0.7306440 400.8090 1.056404 401.2911 1.268600 401.7733 1.431793 402.2554 1.411407 402.7375 1.083977 403.2196 0.2080610 403.7017 0.3501820 404.1838 0.4615100 404.6660 0.3410640 405.1481 0.3873210 405.6302 0.6208720 406.1123 0.9395600 406.5944 1.287254 407.0765 1.672653 407.5587 2.264168 408.0408 3.089317 408.5229 4.019897 409.0050 4.930992 409.4871 5.822830 409.9692 6.731438 410.4514 7.605713 410.9335 8.571281 411.4156 9.932587 411.8977 11.65884 412.3798 13.52941 412.8619 15.56330 413.3441 17.58611 413.8262 19.17471 414.3083 20.19461 414.7904 21.24081 415.2725 23.07838 415.7546 25.37523 416.2368 27.48517 416.7189 28.87067 417.2010 30.10432 417.6831 31.59844 418.1652 33.35059 418.6473 35.33231 419.1295 37.63024 419.6116 40.08620 420.0937 42.51308 420.5758 44.73572 421.0579 47.15053 421.5400 49.89855 422.0222 52.94779 422.5043 56.29420 422.9864 59.89422 423.4685 63.78995 423.9506 68.00746 424.4327 72.48383 424.9149 77.44983 425.3970 83.13818 425.8791 89.17386 426.3612 95.27837 426.8433 101.5008 427.3254 107.6631 427.8076 113.8272 428.2897 119.9664 428.7718 125.7450 429.2539 131.6131 429.7360 136.0928 430.2181 138.3166 430.7003 138.2348 431.1824 135.9713 431.6645 131.2962 432.1466 124.9069 432.6287 117.6502 433.1108 109.5748 433.5930 101.5913 434.0751 93.98991 434.5572 86.76753 435.0393 79.72346 435.5214 72.88101 436.0035 66.80951 436.4857 62.30093 436.9678 59.02118 437.4499 56.05406 437.9320 53.17332 438.4141 50.61292 438.8962 48.66907 439.3784 47.25815 439.8605 46.13260 440.3426 45.21732 440.8247 44.50155 441.3068 43.97673 441.7889 43.65614 442.2711 43.49454 442.7532 43.40234 443.2353 43.45995 443.7174 43.73414 444.1995 44.51074 444.6816 45.30350 445.1638 45.94035 445.6459 46.47355 446.1280 47.14180 446.6101 48.22144 447.0922 49.22527 447.5743 49.96202 448.0565 50.42017 448.5386 50.63936 449.0207 50.44590 449.5028 50.11739 449.9849 50.04727 450.4670 50.41935 450.9492 50.62856 451.4313 50.53241 451.9134 50.14987 452.3955 49.65311 452.8776 49.03313 453.3597 48.40923 453.8419 47.88496 454.3240 47.47107 454.8061 47.01793 455.2882 46.48130 455.7703 45.94048 456.2524 45.63668 456.7346 45.52814 457.2167 45.30785 457.6988 44.65990 458.1809 43.84264 458.6630 43.37132 459.1451 43.23122 459.6273 43.03593 460.1094 42.51570 460.5915 41.79020 461.0736 41.03309 461.5557 40.27295 462.0378 39.36293 462.5200 38.19135 463.0021 36.82098 463.4842 35.38858 463.9663 33.92093 464.4484 32.41759 464.9305 30.91179 465.4127 29.40590 465.8948 27.84393 466.3769 26.07715 466.8590 24.34335 467.3411 22.82293 467.8232 21.62346 468.3054 20.48679 468.7875 19.53909 469.2696 18.63478 469.7517 17.33598 470.2338 15.29056 470.7159 13.52943 471.1981 12.50137 471.6802 12.24088 472.1623 11.79217 472.6444 11.12184 473.1265 10.37338 473.6086 9.725029 474.0908 9.172211 474.5729 8.491768 475.0550 7.596786 475.5371 6.625671 476.0192 5.815422 476.5013 5.156937 476.9835 4.614998 477.4656 4.116249 477.9477 3.731026 478.4298 3.686005 478.9119 4.001396 479.3940 4.202194 479.8762 3.757668 480.3583 3.022285 480.8404 2.472427 481.3225 2.373032 481.8046 2.309967 482.2867 2.073341 482.7689 1.710976 483.2510 1.343788 483.7331 0.9554370 484.2152 0.6206210 484.6973 0.3604740 485.1794 0.1646190 485.6616 9.6709996E-02 486.1437 0.4093400 486.6258 0.7017750 487.1079 0.6238630 487.5900 0.3157120 488.0721 0.7260360 488.5543 0.2255780 489.0364 0.7981490 489.5185 1.166771 490.0006 0.6743930 490.4827 0.1680220 490.9648 7.7399999E-02 491.4470 0.3705520 491.9291 0.3788530 492.4112 5.7755001E-02 492.8933 0.3331150 493.3754 0.5653920 493.8575 0.6487730 494.3397 0.5966570 494.8218 0.3602600 495.3039 8.4022999E-02 495.7860 1.9135000E-02 496.2681 1.0979000E-02 496.7502 4.0550001E-02 497.2324 7.0029996E-02 497.7145 0.1711350 498.1966 9.1170996E-02 498.6787 0.1807250 499.1608 0.4401700 499.6429 0.6940000 500.1251 0.8305970 500.6072 0.7414550 501.0893 8.1688002E-02 501.5714 0.3574370 502.0535 0.2382740 502.5356 0.2142410 503.0178 0.4855120 503.4999 0.4917760 503.9820 0.3584750 504.4641 3.5828002E-02 504.9462 0.4955830 505.4283 0.7402880 505.9105 0.5786210 506.3926 0.3166120 506.8747 0.1953280 507.3568 0.2459790 507.8389 0.2133480 508.3210 3.2646000E-02 508.8032 0.1639790 509.2853 0.1079860 509.7674 0.1850890 510.2495 0.4630740 510.7316 0.6068730 511.2137 0.6731110 511.6959 0.8250120 512.1780 1.047508 512.6601 1.170769 513.1422 0.9295880 513.6243 0.5704500 514.1064 0.4471050 514.5886 0.6928410 515.0707 0.9134290 515.5528 0.7990190 516.0349 0.5234070 516.5170 0.3354190 516.9991 0.3556750 517.4813 0.4365080 517.9634 0.4656140 518.4455 0.4764180 518.9276 0.7397990 519.4097 1.868217 519.8918 2.738243 520.3740 2.809189 520.8561 1.728271 521.3382 0.9906160 521.8203 0.6031110 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