#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:17:49 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1071 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000514.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_1000514 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 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 R130278.rod _rod_data_source.block 3500000 _rod_database.code 1000514 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 90.80798 0.0000000E+00 91.29010 1.573746 91.77222 2.537354 92.25433 4.255737 92.73645 6.119156 93.21857 8.330780 93.70068 7.928238 94.18280 5.143753 94.66492 2.600128 95.14703 0.7502750 95.62915 0.3121950 96.11127 0.1903080 96.59338 1.306686 97.07550 3.522339 97.55762 5.271301 98.03973 6.030014 98.52185 6.668198 99.00397 7.799423 99.48608 9.486725 99.96820 10.27916 100.4503 10.10413 100.9324 9.397583 101.4146 8.837906 101.8967 8.177429 102.3788 7.306152 102.8609 5.919266 103.3430 3.482468 103.8251 2.377838 104.3073 3.576218 104.7894 6.677597 105.2715 9.010086 105.7536 10.39653 106.2357 11.04659 106.7178 11.11983 107.2000 10.21075 107.6821 9.745377 108.1642 10.14134 108.6463 11.43158 109.1284 12.12285 109.6105 12.05626 110.0927 11.45670 110.5748 10.57600 111.0569 8.233261 111.5390 6.692261 112.0211 6.886353 112.5032 9.636856 112.9854 11.49088 113.4675 11.76588 113.9496 10.94861 114.4317 9.699890 114.9138 6.897003 115.3959 4.678070 115.8781 4.277328 116.3602 7.077179 116.8423 9.482376 117.3244 9.865021 117.8065 8.765961 118.2886 7.728973 118.7708 7.236313 119.2529 7.063751 119.7350 7.036987 120.2171 6.590118 120.6992 6.867065 121.1813 9.167282 121.6635 12.83267 122.1456 15.80780 122.6277 17.70743 123.1098 18.71620 123.5919 18.59666 124.0740 17.72455 124.5562 16.80614 125.0383 16.18018 125.5204 15.51490 126.0025 14.82310 126.4846 14.53185 126.9667 14.60004 127.4489 14.57909 127.9310 14.60201 128.4131 14.58381 128.8952 14.27563 129.3773 13.69324 129.8594 13.10344 130.3416 12.33726 130.8237 11.41575 131.3058 10.97832 131.7879 11.51651 132.2700 12.96307 132.7521 13.64357 133.2343 12.88494 133.7164 11.60085 134.1985 11.05701 134.6806 11.24680 135.1627 11.55450 135.6448 11.64881 136.1270 11.52413 136.6091 11.28954 137.0912 10.98764 137.5733 10.59743 138.0554 9.819313 138.5375 8.485359 139.0197 7.294807 139.5018 6.910721 139.9839 7.592926 140.4660 7.971443 140.9481 7.804993 141.4302 7.117195 141.9124 6.159157 142.3945 4.758453 142.8766 3.332657 143.3587 2.297867 143.8408 1.767204 144.3229 1.419403 144.8051 1.198296 145.2872 1.095917 145.7693 1.177505 146.2514 1.626160 146.7335 2.142097 147.2156 2.333130 147.6978 1.936584 148.1799 1.543953 148.6620 1.972443 149.1441 2.998337 149.6262 3.288200 150.1083 2.289536 150.5905 0.6519320 151.0726 0.5030140 151.5547 0.9958500 152.0368 1.137924 152.5189 0.9591600 153.0010 3.0685000E-02 153.4832 0.4490360 153.9653 0.3352430 154.4474 1.728867 154.9295 2.365326 155.4116 1.112885 155.8937 0.2275010 156.3759 0.8198780 156.8580 3.8215999E-02 157.3401 0.8574910 157.8222 1.499931 158.3043 1.922714 158.7864 1.968140 159.2686 1.429344 159.7507 0.5949250 160.2328 0.3546520 160.7149 1.994034 161.1970 3.111237 161.6791 2.860626 162.1613 1.514290 162.6434 0.7124480 163.1255 1.540512 163.6076 3.028664 164.0897 4.312927 164.5718 5.314537 165.0540 5.881126 165.5361 5.864204 166.0182 5.275963 166.5003 4.427055 166.9824 3.237411 167.4645 1.927116 167.9467 0.7888640 168.4288 6.2438998E-02 168.9109 0.7291560 169.3930 1.266724 169.8751 1.671997 170.3572 1.928436 170.8394 2.150742 171.3215 2.228180 171.8036 1.965515 172.2857 0.7284550 172.7678 0.5970380 173.2499 0.8786850 173.7321 9.4581999E-02 174.2142 0.8795700 174.6963 0.1922840 175.1784 2.395760 175.6605 4.033897 176.1426 3.669998 176.6248 2.417984 177.1069 1.758751 177.5890 1.859962 178.0711 2.399979 178.5532 3.150993 179.0353 4.098846 179.5175 5.134483 179.9996 6.187401 180.4817 7.283630 180.9638 8.530350 181.4459 9.983154 181.9280 11.47511 182.4102 12.92107 182.8923 14.27054 183.3744 15.36634 183.8565 15.73122 184.3386 15.72177 184.8207 16.46764 185.3029 18.36618 185.7850 20.63744 186.2671 21.95427 186.7492 22.34596 187.2313 22.61877 187.7134 23.32417 188.1956 24.39115 188.6777 25.48006 189.1598 26.60974 189.6419 27.68195 190.1240 28.40425 190.6061 28.76411 191.0883 29.08630 191.5704 29.54780 192.0525 30.16669 192.5346 31.03505 193.0167 32.14754 193.4988 33.45218 193.9810 34.65182 194.4631 35.64353 194.9452 36.85321 195.4273 38.29675 195.9094 39.96091 196.3915 41.32822 196.8737 42.17892 197.3558 42.72237 197.8379 43.85346 198.3200 45.71298 198.8021 47.47942 199.2842 48.35561 199.7664 48.32339 200.2485 48.13491 200.7306 47.91835 201.2127 47.67265 201.6948 47.32834 202.1769 46.81786 202.6591 46.43910 203.1412 46.49664 203.6233 47.02975 204.1054 47.73869 204.5875 48.56721 205.0696 49.50112 205.5518 50.56252 206.0339 51.84743 206.5160 53.06111 206.9981 53.84516 207.4802 54.08881 207.9623 54.26099 208.4445 54.38103 208.9266 54.44650 209.4087 54.79160 209.8908 55.59104 210.3729 56.43867 210.8550 56.83932 211.3372 56.54762 211.8193 56.43559 212.3014 56.87262 212.7835 57.90293 213.2656 58.20039 213.7477 57.52950 214.2299 56.42546 214.7120 55.46573 215.1941 54.62695 215.6762 53.96214 216.1583 53.56436 216.6404 53.48103 217.1226 53.24666 217.6047 52.89525 218.0868 52.40117 218.5689 51.69180 219.0510 50.61909 219.5331 49.51944 220.0153 48.41471 220.4974 47.28288 220.9795 46.40710 221.4616 45.90439 221.9437 45.51247 222.4258 44.88919 222.9080 43.91388 223.3901 42.95735 223.8722 42.10536 224.3543 41.34306 224.8364 40.71469 225.3185 40.21454 225.8007 39.83137 226.2828 39.58299 226.7649 39.61295 227.2470 39.49129 227.7291 39.06145 228.2112 38.27715 228.6934 37.63382 229.1755 37.26591 229.6576 36.95808 230.1397 36.47435 230.6218 35.78699 231.1039 34.88817 231.5861 33.62000 232.0682 31.83398 232.5503 30.72105 233.0324 30.37338 233.5145 30.54011 233.9966 31.03045 234.4788 32.27776 234.9609 33.03817 235.4430 32.78299 235.9251 31.25867 236.4072 30.57703 236.8893 31.08862 237.3715 32.14675 237.8536 32.97858 238.3357 33.57676 238.8178 33.97163 239.2999 34.10683 239.7820 33.92017 240.2642 33.92596 240.7463 34.26506 241.2284 34.67087 241.7105 34.82697 242.1926 34.70584 242.6747 34.37143 243.1569 33.76166 243.6390 32.80598 244.1211 32.10881 244.6032 31.86707 245.0853 31.70408 245.5674 31.12873 246.0496 29.77762 246.5317 28.70733 247.0138 28.33704 247.4959 28.80355 247.9780 28.45697 248.4601 26.80843 248.9423 24.81481 249.4244 23.58931 249.9065 23.61436 250.3886 23.43211 250.8707 22.60257 251.3528 21.08685 251.8350 20.05466 252.3171 19.72231 252.7992 19.65073 253.2813 19.38202 253.7634 18.78313 254.2455 18.28121 254.7277 18.01912 255.2098 18.00191 255.6919 17.73914 256.1740 17.10980 256.6561 16.38190 257.1382 15.77271 257.6204 15.18943 258.1025 14.97056 258.5846 15.39491 259.0667 16.40518 259.5488 16.56615 260.0309 15.42796 260.5131 14.09184 260.9952 13.66093 261.4773 14.63660 261.9594 15.07269 262.4415 14.41843 262.9236 12.82888 263.4058 11.99442 263.8879 12.20057 264.3700 12.66831 264.8521 12.84105 265.3342 12.72281 265.8163 12.24936 266.2985 11.22978 266.7806 9.828751 267.2627 9.024406 267.7448 9.001427 268.2269 9.195358 268.7090 9.209160 269.1912 9.008240 269.6733 8.784508 270.1554 8.599251 270.6375 8.398026 271.1196 7.895432 271.6017 6.959038 272.0839 6.083916 272.5660 5.656258 273.0481 5.743622 273.5302 5.817764 274.0123 5.822739 274.4944 5.790283 274.9766 5.866394 275.4587 6.116722 275.9408 6.225319 276.4229 5.926239 276.9050 5.179153 277.3871 4.521500 277.8693 3.956032 278.3514 3.541000 278.8335 3.484673 279.3156 3.851913 279.7977 4.198021 280.2798 4.274200 280.7620 4.078018 281.2441 3.814827 281.7262 3.466339 282.2083 3.102150 282.6904 2.827133 283.1725 2.639061 283.6547 2.560417 284.1368 2.714157 284.6189 3.058990 285.1010 3.062988 285.5831 2.638771 286.0652 2.087593 286.5474 1.851418 287.0295 1.925064 287.5116 2.065468 287.9937 2.208115 288.4758 2.342278 288.9579 2.394188 289.4401 2.363121 289.9222 2.268127 290.4043 1.962166 290.8864 1.511551 291.3685 1.475029 291.8506 2.436729 292.3328 3.929062 292.8149 4.376434 293.2970 3.710495 293.7791 2.887314 294.2612 3.035889 294.7433 3.912285 295.2255 4.544540 295.7076 4.532921 296.1897 4.119400 296.6718 3.669167 297.1539 3.188026 297.6360 2.858055 298.1182 3.014084 298.6003 3.450066 299.0824 3.629524 299.5645 3.274902 300.0466 2.740814 300.5287 2.577759 301.0109 2.736588 301.4930 2.864700 301.9751 2.706322 302.4572 2.346130 302.9393 1.942726 303.4214 1.563629 303.9036 1.083099 304.3857 0.2044750 304.8678 0.9397660 305.3499 1.883911 305.8320 2.316528 306.3141 2.390289 306.7963 2.249306 307.2784 1.875061 307.7605 1.410774 308.2426 0.8809970 308.7247 0.3452380 309.2068 5.4770999E-02 309.6890 7.5728998E-02 310.1711 2.4261000E-02 310.6532 0.2160340 311.1353 0.7424850 311.6174 1.194778 312.0995 1.132332 312.5817 0.8421400 313.0638 0.7870940 313.5459 1.420891 314.0280 2.149925 314.5101 2.588905 314.9922 2.696014 315.4744 2.796150 315.9565 2.856010 316.4386 3.057892 316.9207 3.606186 317.4028 5.157974 317.8849 6.531685 318.3671 7.079384 318.8492 6.845070 319.3313 6.792038 319.8134 7.369385 320.2955 8.194107 320.7776 8.953583 321.2598 9.559830 321.7419 10.11912 322.2240 10.60406 322.7061 11.03934 323.1882 11.55755 323.6703 12.33339 324.1525 13.09575 324.6346 13.67971 325.1167 13.79939 325.5988 14.11395 326.0809 14.86261 326.5630 15.86522 327.0452 16.62942 327.5273 16.86677 328.0094 17.08025 328.4915 17.50189 328.9736 18.45644 329.4557 18.87621 329.9379 18.23148 330.4200 17.21864 330.9021 16.99951 331.3842 18.35928 331.8663 19.46867 332.3484 19.74321 332.8306 19.01665 333.3127 18.57377 333.7948 18.39743 334.2769 18.48466 334.7590 18.95522 335.2411 20.20989 335.7233 21.00092 336.2054 20.93731 336.6875 20.07387 337.1696 19.48107 337.6517 19.28588 338.1339 19.13529 338.6160 18.67786 339.0981 17.79207 339.5802 17.04710 340.0623 16.53691 340.5444 16.26062 341.0266 16.26387 341.5087 16.61079 341.9908 16.82857 342.4729 16.53145 342.9550 15.74446 343.4371 15.25195 343.9193 15.17817 344.4014 15.23798 344.8835 15.02316 345.3656 14.55827 345.8477 13.95653 346.3298 13.03143 346.8120 11.89181 347.2941 11.19118 347.7762 10.96838 348.2583 11.09309 348.7404 11.56033 349.2225 12.27872 349.7047 12.87149 350.1868 13.15122 350.6689 13.26463 351.1510 13.43119 351.6331 13.62408 352.1152 13.81643 352.5974 13.92054 353.0795 14.04752 353.5616 14.42017 354.0437 15.25261 354.5258 16.16153 355.0079 16.76714 355.4901 17.09402 355.9722 17.32607 356.4543 17.51579 356.9364 17.69196 357.4185 17.81746 357.9006 17.75290 358.3828 18.00407 358.8649 19.22588 359.3470 20.98700 359.8291 22.42229 360.3112 22.69301 360.7933 22.86951 361.2755 23.64317 361.7576 25.15390 362.2397 26.68851 362.7218 28.02805 363.2039 29.20839 363.6860 30.28542 364.1682 30.92545 364.6503 31.82836 365.1324 33.45924 365.6145 35.78501 366.0966 37.58730 366.5787 38.42897 367.0609 38.82683 367.5430 39.11224 368.0251 39.16713 368.5072 39.28651 368.9893 39.61665 369.4714 40.04593 369.9536 40.21104 370.4357 40.31776 370.9178 39.93742 371.3999 38.82779 371.8820 36.60014 372.3641 34.63608 372.8463 33.09692 373.3284 31.73701 373.8105 30.13119 374.2926 28.12521 374.7747 26.20866 375.2568 24.51838 375.7390 23.04892 376.2211 21.62718 376.7032 20.27255 377.1853 18.88802 377.6674 17.31120 378.1495 15.50826 378.6317 13.72039 379.1138 11.88191 379.5959 10.14259 380.0780 8.993324 380.5601 8.483139 381.0422 8.105133 381.5244 7.456161 382.0065 6.610725 382.4886 6.087120 382.9707 6.022644 383.4528 6.028091 383.9349 5.454048 384.4171 4.399696 384.8992 3.416351 385.3813 2.769478 385.8634 2.354576 386.3455 1.995872 386.8276 1.691254 387.3098 1.421837 387.7919 1.167656 388.2740 0.9316100 388.7561 0.7247850 389.2382 0.5901180 389.7203 0.4402010 390.2025 0.1341170 390.6846 0.2780610 391.1667 0.5652080 391.6488 0.4205860 392.1309 0.1883930 392.6130 0.1782000 393.0952 0.5482330 393.5773 0.9224550 394.0594 1.132050 394.5415 1.234756 395.0236 1.337524 395.5057 1.607948 395.9879 1.764450 396.4700 1.623039 396.9521 1.102539 397.4342 0.7333150 397.9163 0.7520290 398.3984 0.8824310 398.8806 0.8723370 399.3627 0.4584500 399.8448 0.1892930 400.3269 0.2273330 400.8090 0.5123060 401.2911 0.5640870 401.7733 0.1355900 402.2554 0.2325060 402.7375 0.2042470 403.2196 0.5280000 403.7017 0.8647460 404.1838 0.6643910 404.6660 0.1591030 405.1481 0.2117920 405.6302 0.4158100 406.1123 0.6190190 406.5944 0.9309920 407.0765 1.336235 407.5587 1.404839 408.0408 1.041634 408.5229 0.7006910 409.0050 0.9616010 409.4871 1.773720 409.9692 2.417252 410.4514 2.726685 410.9335 2.791351 411.4156 2.614258 411.8977 2.240166 412.3798 2.175331 412.8619 3.034035 413.3441 4.388474 413.8262 5.360863 414.3083 5.789085 414.7904 6.173859 415.2725 7.129982 415.7546 8.406128 416.2368 9.502769 416.7189 9.972832 417.2010 10.32039 417.6831 10.99216 418.1652 11.96963 418.6473 12.90688 419.1295 13.53204 419.6116 14.06699 420.0937 14.69943 420.5758 15.52161 421.0579 16.38709 421.5400 17.27652 422.0222 18.18010 422.5043 19.09800 422.9864 19.65550 423.4685 20.54355 423.9506 22.08303 424.4327 24.44588 424.9149 26.92979 425.3970 29.43008 425.8791 32.07022 426.3612 35.03372 426.8433 38.59978 427.3254 42.00597 427.8076 45.06252 428.2897 47.85336 428.7718 50.87590 429.2539 54.33200 429.7360 57.53246 430.2181 60.11294 430.7003 62.10845 431.1824 63.30051 431.6645 63.78981 432.1466 63.29213 432.6287 60.99949 433.1108 56.90457 433.5930 52.55591 434.0751 48.35015 434.5572 44.37352 435.0393 40.84581 435.5214 37.77545 436.0035 35.29315 436.4857 33.75365 436.9678 32.92751 437.4499 32.19387 437.9320 31.33915 438.4141 30.69315 438.8962 30.65923 439.3784 31.13848 439.8605 31.84148 440.3426 32.55107 440.8247 33.45473 441.3068 34.77423 441.7889 36.53886 442.2711 38.41945 442.7532 40.47452 443.2353 42.46739 443.7174 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