#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:28:51 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1131 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000556.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_1000556 loop_ _publ_author_name 'Atencio, D.' 'Roberts, A. C.' 'Cooper, M. A.' 'Menezes, L. A. D.' 'Coutinho, J. M. V.' 'Stirling, J. A. R.' 'Venance, K. E.' 'Ball, N. A.' 'Moffatt, E.' 'Chaves, M. L. S. C.' 'Brandao, P. R. G.' 'Romano, A. W.' _publ_section_title ; Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 75 _journal_page_last 90 _journal_paper_doi 10.1180/minmag.2012.076.1.75 _journal_volume 76 _journal_year 2012 _chemical_compound_source 'Jaguaracu, Minas Gerais, Brazil' _chemical_formula_sum 'Al0.1 Ca0.28 Ce0.02 Fe0.1 H6 Nb0.8 Nd0.02 O14 Si0.26 Ta0.52 Ti0.22 U1.44' _chemical_name_mineral Carlosbarbosaite _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 14.150 _cell_length_b 10.395 _cell_length_c 7.529 _cell_volume 1107.435 _exptl_crystal_density_diffrn 4.704 _cod_original_formula_sum 'U1.44 (Nb.8 Ta.52 Si.26 Ti.22 Al.1 Fe.1) Ca.28 Nd.02 Ce.02 O14 H6' _cod_database_code 9015592 _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 R110162.rod _rod_data_source.block 3500000 _rod_database.code 1000556 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 9015592 COD http://www.crystallography.net/cod/9015592.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 146.6430 0.0000000E+00 147.1251 0.1033940 147.6072 0.1598510 148.0893 0.1601560 148.5714 6.4331003E-02 149.0535 2.4410000E-03 149.5357 4.4739000E-02 150.0178 0.2550660 150.4999 0.9562990 150.9820 1.162354 151.4641 1.164978 151.9462 1.025879 152.4284 0.8154910 152.9105 0.5255130 153.3926 0.1593630 153.8747 0.1810910 154.3568 0.2360230 154.8389 0.2858280 155.3211 0.7717290 155.8032 1.270386 156.2853 1.697937 156.7674 1.922607 157.2495 1.867676 157.7316 1.614807 158.2138 1.515442 158.6959 1.498108 159.1780 1.671448 159.6601 2.104370 160.1422 2.751221 160.6243 3.594177 161.1065 4.756775 161.5886 6.005981 162.0707 6.421387 162.5528 5.100647 163.0349 3.874390 163.5170 3.970093 163.9991 5.270996 164.4813 6.655334 164.9634 7.581726 165.4455 8.061707 165.9276 8.150330 166.4097 7.528503 166.8918 6.766846 167.3740 6.587036 167.8561 7.088928 168.3382 7.603455 168.8203 7.614136 169.3024 7.431335 169.7845 7.451050 170.2667 7.917542 170.7488 8.622681 171.2309 9.070618 171.7130 9.119873 172.1951 9.165466 172.6772 9.357727 173.1594 9.645752 173.6415 9.977417 174.1236 10.36615 174.6057 10.77356 175.0878 10.93451 175.5699 10.54132 176.0521 10.25146 176.5342 10.30817 177.0163 10.58972 177.4984 10.86841 177.9805 10.96838 178.4626 10.88696 178.9448 10.92200 179.4269 11.16260 179.9090 11.42847 180.3911 11.63953 180.8732 11.82471 181.3553 12.20526 181.8375 12.99133 182.3196 14.08862 182.8017 14.50464 183.2838 13.53979 183.7659 12.84485 184.2480 13.29401 184.7301 14.78955 185.2123 16.47174 185.6944 17.44965 186.1765 17.49817 186.6586 17.67212 187.1407 18.41705 187.6228 19.48956 188.1050 20.71680 188.5871 22.36493 189.0692 23.83478 189.5513 24.43561 190.0334 24.30243 190.5155 23.96265 190.9977 23.06964 191.4798 22.17737 191.9619 22.12616 192.4440 23.17859 192.9261 24.18939 193.4082 23.55945 193.8904 21.84186 194.3725 20.80573 194.8546 21.66852 195.3367 23.46527 195.8188 24.19421 196.3009 23.34613 196.7831 22.18384 197.2652 21.54291 197.7473 21.31879 198.2294 21.31903 198.7115 21.47424 199.1936 21.77808 199.6758 22.24329 200.1579 23.08447 200.6400 23.77222 201.1221 24.15155 201.6042 24.19427 202.0863 23.83130 202.5685 22.85394 203.0506 21.30719 203.5327 20.00360 204.0148 18.76849 204.4969 18.14752 204.9790 18.52039 205.4612 19.54980 205.9433 20.46326 206.4254 20.60217 206.9075 19.92505 207.3896 19.25659 207.8717 18.61450 208.3539 17.96191 208.8360 17.27368 209.3181 16.56775 209.8002 15.90869 210.2823 15.39679 210.7644 15.10150 211.2466 14.37122 211.7287 12.75800 212.2108 11.16913 212.6929 9.975464 213.1750 9.142395 213.6571 8.476929 214.1393 7.848816 214.6214 7.321350 215.1035 6.315979 215.5856 4.141235 216.0677 2.202454 216.5498 1.330139 217.0320 1.426941 217.5141 1.767639 217.9962 1.722595 218.4783 1.240540 218.9604 0.6877440 219.4425 0.1691890 219.9247 0.9096070 220.4068 1.235352 220.8889 1.160950 221.3710 0.9346310 221.8531 0.7296750 222.3352 0.5552980 222.8174 0.5084840 223.2995 0.6907350 223.7816 0.9269410 224.2637 1.127319 224.7458 1.280518 225.2279 1.305969 225.7100 0.9843750 226.1922 0.4178470 226.6743 0.3655400 227.1564 1.572815 227.6385 2.898499 228.1206 3.147766 228.6027 2.217773 229.0849 1.105896 229.5670 0.6450810 230.0491 0.6780400 230.5312 0.5878300 231.0133 0.3667600 231.4954 0.1087650 231.9776 1.049988 232.4597 2.505737 232.9418 4.039917 233.4239 5.480103 233.9060 6.816650 234.3881 7.981750 234.8703 8.833008 235.3524 9.607788 235.8345 10.65552 236.3166 12.03638 236.7987 13.45520 237.2808 14.80273 237.7630 16.09265 238.2451 17.36383 238.7272 18.68646 239.2093 19.90942 239.6914 20.59406 240.1735 20.39453 240.6557 20.79926 241.1378 23.13763 241.6199 26.01880 242.1020 28.06085 242.5841 28.67993 243.0662 28.62543 243.5484 29.24658 244.0305 30.89886 244.5126 32.25525 244.9947 32.46204 245.4768 32.48438 245.9589 33.42731 246.4410 35.73456 246.9232 38.22894 247.4053 38.69873 247.8874 36.13220 248.3695 33.91199 248.8516 32.92505 249.3337 32.30298 249.8159 31.25360 250.2980 29.55591 250.7801 27.82904 251.2622 27.25549 251.7443 28.68347 252.2264 29.33606 252.7086 28.71680 253.1907 27.53314 253.6728 26.14056 254.1549 24.67993 254.6370 23.25635 255.1191 21.96088 255.6013 20.56110 256.0834 19.87970 256.5655 20.54236 257.0476 21.34778 257.5297 21.42377 258.0118 20.66046 258.4940 19.64276 258.9761 19.18585 259.4582 19.61957 259.9403 19.79169 260.4224 19.68640 260.9045 19.39709 261.3867 18.93164 261.8688 18.31830 262.3509 17.64996 262.8330 17.04462 263.3151 16.58002 263.7972 15.87317 264.2794 14.41919 264.7615 13.18945 265.2436 12.86469 265.7257 13.36682 266.2078 14.09778 266.6899 14.50244 267.1721 14.55896 267.6542 14.35992 268.1363 13.65369 268.6184 12.97394 269.1005 12.67627 269.5826 12.67633 270.0648 12.60315 270.5469 12.13446 271.0290 11.25586 271.5111 10.49542 271.9932 9.801819 272.4753 9.245422 272.9575 8.924683 273.4396 8.766052 273.9217 8.614929 274.4038 8.417358 274.8859 8.184814 275.3680 7.653564 275.8501 6.287292 276.3322 5.227234 276.8144 4.955017 277.2965 5.250366 277.7786 5.758789 278.2607 6.401489 278.7428 7.037048 279.2249 6.886414 279.7071 5.102356 280.1892 3.690613 280.6713 3.568237 281.1534 4.084412 281.6355 4.033813 282.1176 2.843994 282.5998 0.9967040 283.0819 0.2683720 283.5640 0.9257810 284.0461 1.121216 284.5282 0.3168330 285.0103 0.6699220 285.4925 0.5386350 285.9746 1.166138 286.4567 3.338440 286.9388 4.145752 287.4209 3.240906 287.9030 2.501282 288.3852 2.359131 288.8673 2.450012 289.3494 2.396362 289.8315 2.104736 290.3136 1.511292 290.7957 0.4152830 291.2779 1.288269 291.7600 2.474792 292.2421 2.696472 292.7242 2.538940 293.2063 2.428162 293.6884 2.430054 294.1706 2.773132 294.6527 3.851135 295.1348 5.659241 295.6169 6.869934 296.0990 6.895874 296.5811 6.701599 297.0633 7.016663 297.5454 7.853699 298.0275 8.881775 298.5096 9.924500 298.9917 10.96832 299.4738 11.95306 299.9560 12.77887 300.4381 13.63153 300.9202 14.63373 301.4023 15.76398 301.8844 16.94086 302.3665 18.15283 302.8487 19.36230 303.3308 20.44202 303.8129 21.13190 304.2950 22.11029 304.7771 23.92554 305.2592 26.27716 305.7414 28.39709 306.2235 29.99493 306.7056 31.22534 307.1877 32.37189 307.6698 33.49298 308.1519 34.39539 308.6341 34.66339 309.1162 34.74329 309.5983 35.50116 310.0804 37.23944 310.5625 39.32166 311.0446 40.94696 311.5268 42.13770 312.0089 43.09015 312.4910 43.64087 312.9731 44.06213 313.4552 44.75598 313.9373 45.79108 314.4195 46.76025 314.9016 47.31104 315.3837 47.43481 315.8658 47.30530 316.3479 46.35547 316.8300 45.56470 317.3121 46.08966 317.7943 47.84003 318.2764 49.26947 318.7585 49.24512 319.2406 48.03156 319.7227 47.19714 320.2048 46.97937 320.6870 46.88898 321.1691 46.79639 321.6512 46.64734 322.1333 46.20416 322.6154 45.30035 323.0975 44.10675 323.5797 43.09271 324.0618 42.32678 324.5439 41.55212 325.0260 40.47992 325.5081 39.36267 325.9902 38.75592 326.4724 38.91138 326.9545 39.33588 327.4366 39.24762 327.9187 38.59607 328.4008 37.88251 328.8829 37.25629 329.3651 36.58636 329.8472 35.61426 330.3293 34.29327 330.8114 33.03845 331.2935 32.24615 331.7756 31.96521 332.2578 31.87872 332.7399 32.14911 333.2220 32.48035 333.7041 32.69043 334.1862 32.76544 334.6683 32.71930 335.1505 32.54956 335.6326 32.26312 336.1147 31.95563 336.5968 31.68268 337.0789 31.33301 337.5610 30.59662 338.0432 29.73822 338.5253 29.45630 339.0074 30.14105 339.4895 31.44165 339.9716 32.41461 340.4537 32.84094 340.9359 33.39124 341.4180 34.42920 341.9001 35.57489 342.3822 36.24072 342.8643 36.24036 343.3464 36.07458 343.8286 36.44763 344.3107 37.60785 344.7928 38.48132 345.2749 38.61359 345.7570 38.85510 346.2391 40.01019 346.7213 42.03778 347.2034 44.19464 347.6855 45.81555 348.1676 46.88110 348.6497 47.93658 349.1318 48.70184 349.6140 49.70850 350.0961 51.25281 350.5782 53.21783 351.0603 55.36145 351.5424 57.56079 352.0245 59.77197 352.5067 61.81354 352.9888 63.37067 353.4709 65.14404 353.9530 67.18225 354.4351 69.48895 354.9172 72.10150 355.3994 75.02643 355.8815 78.19031 356.3636 81.52881 356.8457 85.35553 357.3278 88.66272 357.8099 91.01764 358.2920 93.22528 358.7741 95.64453 359.2563 98.42108 359.7384 101.7545 360.2205 105.8779 360.7026 110.9016 361.1847 115.3557 361.6668 119.2928 362.1490 122.7216 362.6311 125.1356 363.1132 127.0187 363.5953 129.3045 364.0774 132.6403 364.5595 136.7399 365.0417 140.2673 365.5238 142.5167 366.0059 145.0405 366.4880 148.0628 366.9701 151.3976 367.4522 154.9531 367.9344 158.6660 368.4165 162.3703 368.8986 165.9059 369.3807 169.5563 369.8628 172.1671 370.3449 173.0721 370.8271 173.6379 371.3092 174.4997 371.7913 175.6689 372.2734 176.8752 372.7555 177.9591 373.2376 178.9021 373.7198 179.5193 374.2019 179.7098 374.6840 179.6360 375.1661 179.1890 375.6482 178.6071 376.1303 178.2621 376.6125 178.4430 377.0946 178.7701 377.5767 178.3234 378.0588 176.9334 378.5409 175.2303 379.0230 173.0981 379.5052 170.8945 379.9873 169.0484 380.4694 167.6310 380.9515 165.9621 381.4336 163.1191 381.9157 159.1263 382.3979 155.6418 382.8800 153.1707 383.3621 150.9180 383.8442 148.5354 384.3263 145.9528 384.8084 142.8636 385.2906 138.9596 385.7727 134.4917 386.2548 129.8408 386.7369 124.8546 387.2190 120.2974 387.7011 117.0533 388.1833 114.3833 388.6654 111.2189 389.1475 107.1904 389.6296 102.9435 390.1117 99.03375 390.5938 95.41162 391.0760 91.83154 391.5581 88.25854 392.0402 84.64160 392.5223 80.81476 393.0044 76.73871 393.4865 72.94666 393.9687 69.67023 394.4508 66.81000 394.9329 64.44012 395.4150 62.60907 395.8971 60.56897 396.3792 57.38995 396.8614 53.22430 397.3435 49.88867 397.8256 47.97528 398.3077 46.41736 398.7898 44.63568 399.2719 42.62836 399.7540 40.41107 400.2361 37.91547 400.7183 35.33606 401.2004 33.34418 401.6825 32.41663 402.1646 31.14008 402.6467 28.96698 403.1288 26.45581 403.6110 24.22791 404.0931 22.44196 404.5752 20.92383 405.0573 19.49567 405.5394 18.19788 406.0215 16.86267 406.5037 15.36682 406.9858 13.96588 407.4679 12.82880 407.9500 11.88782 408.4321 10.95593 408.9142 9.899109 409.3964 8.755249 409.8785 7.670715 410.3606 6.584717 410.8427 5.652435 411.3248 4.712036 411.8069 4.015228 412.2891 4.031433 412.7712 4.781677 413.2533 5.529755 413.7354 5.155945 414.2175 3.220642 414.6996 1.910126 415.1818 1.928894 415.6639 1.941071 416.1460 1.278809 416.6281 0.1811220 417.1102 0.6597900 417.5923 0.7389830 418.0745 0.3082280 418.5566 0.3003850 419.0387 1.004761 419.5208 1.476501 420.0029 0.9919430 420.4850 0.3828430 420.9672 0.5324100 421.4493 1.668732 421.9314 2.981506 422.4135 3.639099 422.8956 3.667908 423.3777 3.651947 423.8599 3.640686 424.3420 3.646332 424.8241 3.854218 425.3062 4.133575 425.7883 3.993561 426.2704 2.792480 426.7526 1.247803 427.2347 0.5151370 427.7168 0.6405940 428.1989 0.7833560 428.6810 0.3969420 429.1631 0.1978150 429.6453 0.2332460 430.1274 0.6654360 430.6095 1.279968 431.0916 0.6590580 431.5737 0.6193850 432.0558 1.269775 432.5380 0.8975220 433.0201 0.4066160 433.5022 0.9819030 433.9843 2.832397 434.4664 3.950989 434.9485 3.515839 435.4307 2.967468 435.9128 3.443085 436.3949 4.684296 436.8770 5.562286 437.3591 5.331512 437.8412 4.425873 438.3234 4.520996 438.8055 6.857178 439.2876 8.620422 439.7697 9.392303 440.2518 9.645111 440.7339 9.647247 441.2160 9.541290 441.6982 9.596283 442.1803 10.17822 442.6624 11.40433 443.1445 12.31586 443.6266 12.50949 444.1087 12.80597 444.5909 13.44626 445.0730 14.36118 445.5551 15.47391 446.0372 16.77457 446.5193 18.08121 447.0014 18.90222 447.4836 18.97513 447.9657 19.36160 448.4478 20.68707 448.9299 22.07010 449.4120 22.76126 449.8941 22.82089 450.3763 23.14352 450.8584 24.72186 451.3405 27.19656 451.8226 28.94354 452.3047 29.72769 452.7868 30.26370 453.2690 30.87350 453.7511 31.52176 454.2332 32.14523 454.7153 32.67181 455.1974 33.31696 455.6795 34.23029 456.1617 35.34113 456.6438 36.67615 457.1259 38.32300 457.6080 40.02982 458.0901 41.47958 458.5722 42.69382 459.0544 43.77475 459.5365 44.57965 460.0186 45.36069 460.5007 46.42706 460.9828 47.73392 461.4649 48.90332 461.9471 49.65717 462.4292 50.11859 462.9113 50.83899 463.3934 52.07568 463.8755 53.22015 464.3576 54.06970 464.8398 54.87653 465.3219 55.83655 465.8040 57.01648 466.2861 58.48636 466.7682 60.42163 467.2503 62.94720 467.7325 64.80414 468.2146 65.39151 468.6967 65.87344 469.1788 66.55585 469.6609 67.34439 470.1430 68.10016 470.6252 68.76575 471.1073 69.28354 471.5894 69.48190 472.0715 69.24551 472.5536 69.15900 473.0357 69.64096 473.5179 69.99774 474.0000 69.68561 474.4821 68.87469 474.9642 68.22076 475.4463 68.38736 475.9284 68.96237 476.4106 69.01831 476.8927 68.50824 477.3748 67.42838 477.8569 65.38593 478.3390 63.06924 478.8211 61.61472 479.3033 61.29071 479.7854 60.71100 480.2675 58.89029 480.7496 56.51620 481.2317 54.88635 481.7138 54.27469 482.1959 53.77347 482.6780 52.55719 483.1602 50.61829 483.6423 48.74399 484.1244 46.97168 484.6065 45.37982 485.0886 44.05978 485.5707 42.79742 486.0529 41.22073 486.5350 39.22473 487.0171 37.23874 487.4992 35.99176 487.9813 35.91275 488.4634 35.15762 488.9456 33.35950 489.4277 31.53867 489.9098 29.99942 490.3919 28.74780 490.8740 27.77670 491.3561 27.16660 491.8383 26.81009 492.3204 26.49396 492.8025 26.48544 493.2846 25.76935 493.7667 23.28220 494.2488 20.64536 494.7310 18.97955 495.2131 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