#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:50:00 +0300 (Thu, 24 May 2018) $ #$Revision: 811 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000301.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_1000301 loop_ _publ_author_name 'Topa, D.' 'Makovicky, E.' _publ_section_title ; Eclarite: New data and interpretations ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 371 _journal_page_last 386 _journal_paper_doi 10.3749/canmin.50.2.371 _journal_volume 50 _journal_year 2012 _chemical_compound_source 'Felbertal, Salzburg Province, Austria' _chemical_formula_sum 'Bi13.604 Cu0.842 Fe0.45 Pb7.25 S28' _chemical_name_mineral Eclarite _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2n 2a' _symmetry_space_group_name_H-M 'P m c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.0307 _cell_length_b 22.7011 _cell_length_c 54.6145 _cell_volume 4997.299 _exptl_crystal_density_diffrn 7.073 _cod_original_formula_sum 'Bi13.604 Pb7.25 Cu.842 Fe.45 S28' _cod_database_code 9015485 _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 R110124.rod _rod_data_source.block 3500000 _rod_database.code 1000301 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 9015485 COD http://www.crystallography.net/cod/9015485.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 90.49219 0.0000000E+00 90.97430 9.8082997E-02 91.45642 0.3714900 91.93854 1.509186 92.42065 2.593773 92.90277 3.187798 93.38489 3.355736 93.86700 3.037041 94.34912 1.920731 94.83124 0.6913760 95.31335 0.1770480 95.79547 0.4614030 96.27759 1.213699 96.75970 2.156021 97.24182 3.296913 97.72394 4.369637 98.20605 4.927902 98.68817 5.043922 99.17029 5.992020 99.65240 7.899055 100.1345 10.19963 100.6166 11.97256 101.0988 13.08849 101.5809 14.03055 102.0630 15.13553 102.5451 16.66138 103.0272 17.69936 103.5093 18.03687 103.9915 18.04994 104.4736 18.42524 104.9557 19.26384 105.4378 20.60586 105.9199 22.36124 106.4020 24.57817 106.8842 26.88953 107.3663 29.03461 107.8484 30.93443 108.3305 32.77357 108.8126 34.83334 109.2947 36.75185 109.7769 38.16104 110.2590 38.56137 110.7411 38.92677 111.2232 39.49198 111.7053 40.18536 112.1874 41.05762 112.6696 42.57844 113.1517 44.22272 113.6338 45.44699 114.1159 45.48877 114.5980 45.44668 115.0801 46.06746 115.5623 47.54275 116.0444 48.47930 116.5265 48.39355 117.0086 47.79674 117.4907 48.50617 117.9728 51.94473 118.4550 56.38314 118.9371 61.05233 119.4192 65.50954 119.9013 70.38578 120.3834 75.98049 120.8655 81.49187 121.3477 86.61107 121.8298 91.39047 122.3119 95.98014 122.7940 99.45304 123.2761 101.2854 123.7582 101.1876 124.2404 99.35282 124.7225 96.51633 125.2046 93.73351 125.6867 91.62410 126.1688 89.86640 126.6509 87.87830 127.1331 85.30457 127.6152 82.41223 128.0973 79.49304 128.5794 76.52773 129.0615 73.75556 129.5436 71.63211 130.0258 69.99960 130.5079 68.17547 130.9900 65.60459 131.4721 62.57908 131.9542 60.02390 132.4363 58.03373 132.9185 56.31041 133.4006 54.46568 133.8827 52.49831 134.3648 50.44071 134.8469 48.41649 135.3290 46.39449 135.8112 43.81936 136.2933 40.44439 136.7754 36.75703 137.2575 34.00997 137.7396 32.39035 138.2217 30.85859 138.7039 28.56095 139.1860 25.28666 139.6681 22.85778 140.1502 21.86988 140.6323 21.81259 141.1144 20.35094 141.5966 16.96385 142.0787 13.16182 142.5608 10.13197 143.0429 8.193506 143.5250 6.119884 144.0071 3.647594 144.4893 0.8053890 144.9714 1.725163 145.4535 3.743732 145.9356 5.647984 146.4177 7.803013 146.8998 10.27373 147.3820 12.90814 147.8641 15.75544 148.3462 17.55315 148.8283 19.17359 149.3104 20.82364 149.7925 22.20528 150.2747 22.96032 150.7568 22.45652 151.2389 21.98902 151.7210 21.83517 152.2031 22.09745 152.6852 22.36914 153.1674 23.23463 153.6495 23.97733 154.1316 23.56239 154.6137 21.41068 155.0958 18.51867 155.5779 15.06954 156.0601 10.76480 156.5422 6.679150 157.0243 3.684837 157.5064 0.9995960 157.9885 2.884979 158.4706 8.495056 158.9528 15.22427 159.4349 22.82535 159.9170 31.36479 160.3991 40.58997 160.8812 50.15431 161.3633 60.31520 161.8455 71.74323 162.3276 85.26695 162.8097 99.68575 163.2918 114.5950 163.7739 129.9993 164.2560 145.5283 164.7382 161.0677 165.2203 176.6137 165.7024 192.1517 166.1845 208.7913 166.6666 224.9967 167.1487 239.1812 167.6309 250.6544 168.1130 260.5124 168.5951 268.9989 169.0772 276.2436 169.5593 282.7215 170.0414 288.2595 170.5236 293.3566 171.0057 298.4960 171.4878 303.5455 171.9699 309.0202 172.4520 315.1889 172.9341 322.0841 173.4163 329.7433 173.8984 338.0063 174.3805 347.1567 174.8626 357.3264 175.3447 369.3043 175.8268 382.1560 176.3090 394.6053 176.7911 406.5131 177.2732 419.2974 177.7553 432.4534 178.2374 444.7283 178.7195 455.9587 179.2017 466.1064 179.6838 475.4391 180.1659 483.8161 180.6480 491.3026 181.1301 498.7566 181.6122 507.9908 182.0944 518.3005 182.5765 527.0162 183.0586 532.6353 183.5407 536.0110 184.0228 539.0347 184.5049 541.6254 184.9871 544.3595 185.4692 548.3775 185.9513 553.3758 186.4334 557.3760 186.9155 558.8924 187.3976 558.6555 187.8798 559.1596 188.3619 560.5304 188.8440 562.3768 189.3261 564.2455 189.8082 566.1568 190.2903 567.9052 190.7725 569.3445 191.2546 570.5553 191.7367 571.6948 192.2188 572.7800 192.7009 573.8173 193.1830 574.7537 193.6652 575.5697 194.1473 576.3014 194.6294 576.7571 195.1115 576.9978 195.5936 577.8709 196.0757 579.5756 196.5579 581.6452 197.0400 583.2279 197.5221 584.3181 198.0042 585.1801 198.4863 585.9206 198.9684 586.4978 199.4506 587.2091 199.9327 588.1444 200.4148 589.0638 200.8969 589.3800 201.3790 589.0506 201.8611 588.4245 202.3433 587.4390 202.8254 586.0010 203.3075 585.5774 203.7896 586.7357 204.2717 588.5274 204.7538 588.3446 205.2360 585.7950 205.7181 582.6304 206.2002 579.8517 206.6823 577.5003 207.1644 575.2436 207.6465 573.0839 208.1287 571.0270 208.6108 569.1943 209.0929 567.6977 209.5750 566.0738 210.0571 564.0729 210.5392 561.7570 211.0214 558.7013 211.5035 554.4868 211.9856 549.7342 212.4677 546.5614 212.9498 545.4903 213.4319 545.0703 213.9141 544.6246 214.3962 544.2796 214.8783 543.3295 215.3604 541.3354 215.8425 538.7728 216.3246 537.2694 216.8067 537.0302 217.2889 537.2730 217.7710 537.6417 218.2531 538.3025 218.7352 538.5444 219.2173 538.1941 219.6994 537.3729 220.1816 536.6120 220.6637 535.8637 221.1458 535.2287 221.6279 534.8149 222.1100 534.8189 222.5921 534.5141 223.0743 533.7751 223.5564 532.6873 224.0385 531.6734 224.5206 530.7667 225.0027 529.9013 225.4848 528.9933 225.9670 527.8648 226.4491 527.2398 226.9312 527.6142 227.4133 528.5959 227.8954 528.2076 228.3775 525.7341 228.8597 522.9257 229.3418 520.8844 229.8239 520.0468 230.3060 518.9158 230.7881 517.1752 231.2702 515.0092 231.7524 513.3868 232.2345 512.5511 232.7166 511.8685 233.1987 510.9977 233.6808 509.9810 234.1629 508.6404 234.6451 507.0010 235.1272 505.0161 235.6093 502.4432 236.0914 498.9243 236.5735 495.3126 237.0556 492.0936 237.5378 489.4524 238.0199 486.8603 238.5020 484.4346 238.9841 482.0638 239.4662 479.2603 239.9483 475.7466 240.4305 472.2332 240.9126 469.1820 241.3947 467.1918 241.8768 464.3378 242.3589 460.0954 242.8410 454.9796 243.3232 450.7493 243.8053 447.7390 244.2874 445.1643 244.7695 442.7584 245.2516 440.9299 245.7337 438.2719 246.2159 434.5558 246.6980 429.9630 247.1801 425.1194 247.6622 419.7559 248.1443 414.4549 248.6264 409.5720 249.1086 405.3264 249.5907 400.8974 250.0728 396.2073 250.5549 391.3539 251.0370 386.6250 251.5191 382.2016 252.0013 377.6367 252.4834 372.7008 252.9655 367.4187 253.4476 361.8526 253.9297 355.9507 254.4118 349.8139 254.8940 343.4428 255.3761 336.4706 255.8582 329.8817 256.3403 324.2550 256.8224 320.0562 257.3046 315.2296 257.7867 309.4733 258.2688 303.2910 258.7509 297.8151 259.2330 293.6239 259.7151 289.0486 260.1973 283.2374 260.6794 275.8817 261.1615 269.0465 261.6436 262.7224 262.1257 257.0509 262.6078 252.5609 263.0900 250.0605 263.5721 246.8645 264.0542 241.8805 264.5363 234.7090 265.0184 228.1382 265.5005 222.1916 265.9827 216.7829 266.4648 211.6356 266.9469 206.6979 267.4290 202.2481 267.9111 198.5323 268.3932 195.6429 268.8754 192.0081 269.3575 187.2023 269.8396 182.2262 270.3217 178.6149 270.8038 176.8100 271.2859 174.6271 271.7681 171.4764 272.2502 167.3926 272.7323 163.0370 273.2144 158.2786 273.6965 153.5071 274.1786 149.1966 274.6608 145.3774 275.1429 141.8090 275.6250 138.3714 276.1071 135.0921 276.5892 132.0915 277.0714 129.5608 277.5535 127.0692 278.0356 124.1377 278.5177 120.6938 278.9998 117.3961 279.4819 114.5259 279.9641 111.8748 280.4462 108.6068 280.9283 104.6107 281.4104 100.4178 281.8925 96.26611 282.3746 92.15982 282.8568 88.56528 283.3389 85.73816 283.8210 83.39236 284.3031 80.68964 284.7852 77.55786 285.2673 74.44760 285.7495 71.61771 286.2316 69.07529 286.7137 66.85678 287.1958 65.11496 287.6779 63.43173 288.1600 60.73929 288.6422 57.01672 289.1243 53.50412 289.6064 51.26535 290.0885 50.07196 290.5706 48.62671 291.0527 46.60416 291.5349 44.60068 292.0170 43.84985 292.4991 44.23062 292.9812 44.34000 293.4633 43.38470 293.9454 41.56882 294.4276 39.42374 294.9097 36.95016 295.3918 34.45059 295.8739 32.16992 296.3560 30.17636 296.8381 28.65390 297.3203 27.96359 297.8024 27.77298 298.2845 27.44028 298.7666 26.96692 299.2487 26.32214 299.7308 25.53287 300.2130 24.52838 300.6951 23.09302 301.1772 20.81018 301.6593 18.23001 302.1414 15.92923 302.6235 13.93390 303.1057 12.47989 303.5878 12.19522 304.0699 12.62131 304.5520 12.96420 305.0341 13.26492 305.5162 13.10721 305.9984 11.56812 306.4805 8.885254 306.9626 6.560608 307.4447 6.040649 307.9268 6.366333 308.4089 6.306061 308.8911 5.364014 309.3732 4.208160 309.8553 3.336304 310.3374 2.712769 310.8195 2.133636 311.3016 1.471649 311.7838 0.8442380 312.2659 0.3591610 312.7480 6.4208999E-02 313.2301 0.1900330 313.7122 0.5895390 314.1943 1.031647 314.6765 1.267914 315.1586 0.8984070 315.6407 0.4966740 316.1228 0.4931030 316.6049 1.041199 317.0870 1.548798 317.5692 1.453674 318.0513 1.213989 318.5334 1.467957 319.0155 3.140594 319.4976 4.718018 319.9797 5.484619 320.4619 5.343933 320.9440 4.998016 321.4261 4.210693 321.9082 3.507965 322.3903 3.389099 322.8724 4.667389 323.3546 5.870209 323.8367 6.536743 324.3188 6.657135 324.8009 6.869415 325.2830 7.552216 325.7651 8.202087 326.2473 8.490082 326.7294 8.133789 327.2115 7.690552 327.6936 6.969055 328.1757 6.100220 328.6578 5.754547 329.1400 6.647736 329.6221 7.411774 330.1042 7.420898 330.5863 5.737915 331.0684 4.943634 331.5505 5.690674 332.0327 7.213074 332.5148 7.748566 332.9969 6.515198 333.4790 5.360352 333.9611 5.024994 334.4432 5.874207 334.9254 6.175171 335.4075 5.688416 335.8896 4.820282 336.3717 4.137634 336.8538 3.713837 337.3359 3.365845 337.8180 3.055908 338.3001 2.779388 338.7823 2.428619 339.2644 1.860168 339.7465 1.454651 340.2286 1.752258 340.7107 2.921509 341.1928 3.636658 341.6750 3.455322 342.1571 2.660400 342.6392 2.366333 343.1213 2.660858 343.6034 3.038086 344.0855 3.361389 344.5677 3.589447 345.0498 2.778717 345.5319 0.3559880 346.0140 2.387146 346.4961 2.622620 346.9782 0.4573060 347.4604 1.735840 347.9425 2.555481 348.4246 2.314117 348.9067 2.033264 349.3888 1.774780 349.8709 1.424469 350.3531 0.6980900 350.8352 0.2789610 351.3173 1.038940 351.7994 1.158539 352.2815 1.003204 352.7636 1.238678 353.2458 1.861725 353.7279 2.464142 354.2100 2.494934 354.6921 2.295654 355.1742 2.513550 355.6563 3.828400 356.1385 5.112244 356.6206 4.948425 357.1027 3.636566 357.5848 2.705200 358.0669 3.398712 358.5490 4.722961 359.0312 5.681213 359.5133 5.842468 359.9954 6.161896 360.4775 7.729980 360.9596 9.863770 361.4417 11.10577 361.9239 10.13614 362.4060 8.690521 362.8881 7.678284 363.3702 7.242950 363.8523 6.991638 364.3344 6.740295 364.8166 6.625000 365.2987 6.795715 365.7808 7.397888 366.2629 8.198425 366.7450 9.305115 367.2271 10.70844 367.7093 11.74512 368.1914 12.24731 368.6735 12.41333 369.1556 12.35809 369.6377 11.68845 370.1198 11.31747 370.6020 11.42801 371.0841 11.87958 371.5662 12.15689 372.0483 12.10486 372.5304 12.06647 373.0125 12.17944 373.4947 12.46530 373.9768 12.85364 374.4589 13.36673 374.9410 13.95175 375.4231 14.57086 375.9052 15.30328 376.3874 15.85883 376.8695 16.12094 377.3516 16.08585 377.8337 15.93997 378.3158 15.65617 378.7979 15.40176 379.2801 15.30347 379.7622 15.34868 380.2443 15.76849 380.7264 16.80400 381.2085 18.02106 381.6906 18.02039 382.1728 16.79054 382.6549 15.70293 383.1370 15.75854 383.6191 16.73380 384.1012 17.84924 384.5833 19.08269 385.0655 20.34404 385.5476 21.86880 386.0297 23.43449 386.5118 24.13966 386.9939 22.69897 387.4760 20.43869 387.9582 19.37178 388.4403 19.59969 388.9224 20.17348 389.4045 20.49222 389.8866 20.56091 390.3687 20.44620 390.8509 20.00845 391.3330 19.70494 391.8151 20.13168 392.2972 20.99716 392.7793 21.31133 393.2614 19.92239 393.7436 18.28369 394.2257 17.40546 394.7078 17.67575 395.1899 18.18144 395.6720 18.74298 396.1541 19.30478 396.6363 19.78453 397.1184 20.17200 397.6005 20.47200 398.0826 20.64806 398.5647 20.65720 399.0468 20.57291 399.5290 20.24297 400.0111 20.00096 400.4932 20.07323 400.9753 20.75035 401.4574 21.28093 401.9395 21.48044 402.4217 21.46536 402.9038 21.86461 403.3859 23.12520 403.8680 24.32892 404.3501 24.81808 404.8322 24.13771 405.3144 23.94981 405.7965 24.51936 406.2786 25.46172 406.7607 26.01834 407.2428 26.07736 407.7249 26.38203 408.2071 27.37552 408.6892 28.89285 409.1713 29.69183 409.6534 29.66011 410.1355 29.34187 410.6176 29.12383 411.0998 29.04755 411.5819 29.31970 412.0640 30.04761 412.5461 30.94940 413.0282 31.61539 413.5103 32.12378 413.9925 32.66533 414.4746 33.30646 414.9567 33.95372 415.4388 34.52870 415.9209 35.09102 416.4030 35.75017 416.8852 36.43654 417.3673 37.24625 417.8494 38.38687 418.3315 40.62105 418.8136 42.74167 419.2957 43.69885 419.7779 43.62840 420.2600 43.77423 420.7421 44.68071 421.2242 46.08017 421.7063 47.79657 422.1884 50.02203 422.6706 52.17599 423.1527 54.36084 423.6348 56.39658 424.1169 57.93391 424.5990 57.86513 425.0811 58.34232 425.5633 60.29085 426.0454 64.01343 426.5275 66.90503 427.0096 68.50076 427.4917 69.61684 427.9738 70.92297 428.4560 72.44031 428.9381 74.15041 429.4202 76.11024 429.9023 78.20755 430.3844 80.20274 430.8665 82.08807 431.3487 83.88249 431.8308 85.58548 432.3129 87.19351 432.7950 88.77628 433.2771 90.32886 433.7592 91.86926 434.2414 93.62186 434.7235 95.52390 435.2056 96.83551 435.6877 97.17755 436.1698 96.88757 436.6519 96.63589 437.1341 96.42267 437.6162 96.16043 438.0983 95.70430 438.5804 95.19769 439.0625 94.95517 439.5446 95.13821 440.0268 95.07727 440.5089 94.06900 440.9910 92.41902 441.4731 90.74002 441.9552 89.44366 442.4373 88.06895 442.9195 86.17880 443.4016 83.78056 443.8837 81.51097 444.3658 79.91579 444.8479 78.33879 445.3300 76.27167 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