#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 10:43:32 +0300 (Thu, 07 Jun 2018) $ #$Revision: 958 $ #$URL: svn://172.16.1.111/rod/cif/1/00/04/1000423.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_1000423 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 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 R110162.rod _rod_data_source.block 3500000 _rod_database.code 1000423 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 193.9810 0.0000000E+00 194.4631 2.6611000E-02 194.9452 0.2008060 195.4273 0.6082760 195.9094 1.118896 196.3915 1.336609 196.8737 1.080566 197.3558 0.4982300 197.8379 0.1760560 198.3200 0.1469120 198.8021 0.2142640 199.2842 0.1554870 199.7664 4.4066999E-02 200.2485 2.7892999E-02 200.7306 0.3263550 201.2127 0.9601440 201.6948 1.623474 202.1769 2.394897 202.6591 2.988037 203.1412 2.901611 203.6233 1.965118 204.1054 1.687592 204.5875 2.717407 205.0696 4.821655 205.5518 5.771820 206.0339 5.317993 206.5160 4.304596 206.9981 3.459564 207.4802 2.710602 207.9623 2.448547 208.4445 2.861816 208.9266 3.917480 209.4087 4.899200 209.8908 5.820770 210.3729 6.650116 210.8550 7.398773 211.3372 8.130524 211.8193 8.534424 212.3014 8.468781 212.7835 7.935272 213.2656 7.429352 213.7477 6.960480 214.2299 6.502075 214.7120 6.021271 215.1941 5.471802 215.6762 4.998016 216.1583 4.584229 216.6404 4.223022 217.1226 4.201202 217.6047 4.690826 218.0868 5.290314 218.5689 5.535614 219.0510 5.383698 219.5331 4.972687 220.0153 4.231995 220.4974 3.100067 220.9795 2.301971 221.4616 1.784119 221.9437 1.647064 222.4258 2.110199 222.9080 3.531677 223.3901 4.780853 223.8722 5.464020 224.3543 5.491486 224.8364 5.827637 225.3185 6.641022 225.8007 7.591827 226.2828 8.188629 226.7649 8.052368 227.2470 8.290314 227.7291 9.291962 228.2112 11.20099 228.6934 12.81598 229.1755 14.08286 229.6576 15.10217 230.1397 15.92120 230.6218 16.28070 231.1039 16.95752 231.5861 18.30280 232.0682 20.53006 232.5503 22.02823 233.0324 22.30011 233.5145 22.27594 233.9966 23.19113 234.4788 25.76508 234.9609 28.43500 235.4430 30.80295 235.9251 32.90771 236.4072 34.55096 236.8893 35.33734 237.3715 35.91592 237.8536 37.29529 238.3357 40.06552 238.8178 43.02618 239.2999 45.78784 239.7820 48.16479 240.2642 50.27808 240.7463 52.48398 241.2284 54.56326 241.7105 56.29218 242.1926 57.76300 242.6747 59.00259 243.1569 59.95111 243.6390 60.56531 244.1211 61.28311 244.6032 62.33585 245.0853 63.29324 245.5674 63.59213 246.0496 62.80789 246.5317 62.17987 247.0138 62.17566 247.4959 62.93024 247.9780 62.74576 248.4601 61.24100 248.9423 59.19601 249.4244 57.47263 249.9065 56.28458 250.3886 55.01315 250.8707 53.49905 251.3528 51.74649 251.8350 49.98590 252.3171 48.14166 252.7992 46.42542 253.2813 45.13217 253.7634 44.60855 254.2455 43.74881 254.7277 42.15335 255.2098 39.78940 255.6919 38.07596 256.1740 37.34149 256.6561 36.83356 257.1382 35.84818 257.6204 34.22260 258.1025 32.46521 258.5846 30.56277 259.0667 28.53275 259.5488 27.04010 260.0309 26.37811 260.5131 25.87247 260.9952 24.89221 261.4773 23.17886 261.9594 21.73181 262.4415 20.86185 262.9236 20.47504 263.4058 19.63019 263.8879 18.13431 264.3700 16.49902 264.8521 15.03052 265.3342 13.68597 265.8163 12.73618 266.2985 12.40900 266.7806 12.53687 267.2627 12.10483 267.7448 10.95407 268.2269 9.574463 268.7090 8.237396 269.1912 6.848450 269.6733 5.872009 270.1554 5.489838 270.6375 5.523865 271.1196 5.277740 271.6017 4.692963 272.0839 3.985779 272.5660 3.341064 273.0481 2.793610 273.5302 2.023102 274.0123 0.8621830 274.4944 0.4591060 274.9766 1.253662 275.4587 1.436523 275.9408 1.411621 276.4229 1.368713 276.9050 1.298920 277.3871 1.298370 277.8693 1.381042 278.3514 1.522858 278.8335 1.709229 279.3156 1.965820 279.7977 2.123688 280.2798 1.977234 280.7620 1.524292 281.2441 1.445038 281.7262 1.860260 282.2083 2.507568 282.6904 2.983398 283.1725 3.293823 283.6547 3.387604 284.1368 3.221497 284.6189 2.805664 285.1010 2.139313 285.5831 1.119568 286.0652 0.1405330 286.5474 7.1929999E-02 287.0295 0.4640810 287.5116 0.8785400 287.9937 0.7918700 288.4758 0.2524110 288.9579 0.4870300 289.4401 1.461670 289.9222 2.492950 290.4043 3.302338 290.8864 3.930603 291.3685 4.710663 291.8506 5.900482 292.3328 7.318909 292.8149 8.366730 293.2970 9.030243 293.7791 9.560852 294.2612 10.12482 294.7433 10.74524 295.2255 11.52997 295.7076 12.63324 296.1897 13.85095 296.6718 14.64072 297.1539 15.01358 297.6360 15.50934 298.1182 16.75708 298.6003 18.48392 299.0824 20.02432 299.5645 21.11636 300.0466 22.03287 300.5287 23.15411 301.0109 24.45773 301.4930 25.82910 301.9751 27.11362 302.4572 28.41681 302.9393 29.92331 303.4214 31.79016 303.9036 33.69455 304.3857 35.30206 304.8678 36.65378 305.3499 37.92746 305.8320 39.19980 306.3141 40.45850 306.7963 41.64279 307.2784 42.71729 307.7605 43.83228 308.2426 45.16220 308.7247 46.63257 309.2068 48.06772 309.6890 49.30051 310.1711 50.49573 310.6532 51.82281 311.1353 53.33444 311.6174 54.74326 312.0995 55.82919 312.5817 56.67307 313.0638 57.42471 313.5459 58.18259 314.0280 58.84537 314.5101 59.39111 314.9922 59.82693 315.4744 60.03461 315.9565 59.68271 316.4386 59.16943 316.9207 58.95178 317.4028 59.62668 317.8849 60.21841 318.3671 60.40237 318.8492 60.17413 319.3313 59.57059 319.8134 57.96323 320.2955 56.31293 320.7776 55.40091 321.2598 56.15948 321.7419 56.83710 322.2240 57.10083 322.7061 56.96347 323.1882 56.52563 323.6703 55.57648 324.1525 54.47919 324.6346 53.43625 325.1167 52.37112 325.5988 51.48175 326.0809 50.94641 326.5630 50.61749 327.0452 50.08466 327.5273 49.01907 328.0094 48.02377 328.4915 47.33701 328.9736 47.18671 329.4557 46.85803 329.9379 46.21094 330.4200 45.42615 330.9021 44.79810 331.3842 44.32779 331.8663 44.00232 332.3484 43.85916 332.8306 43.99701 333.3127 43.71054 333.7948 42.80356 334.2769 41.66257 334.7590 40.66638 335.2411 39.65994 335.7233 39.14893 336.2054 39.45599 336.6875 40.50098 337.1696 40.85062 337.6517 40.28259 338.1339 39.49646 338.6160 39.06705 339.0981 39.02899 339.5802 39.00253 340.0623 38.87622 340.5444 38.74326 341.0266 38.93939 341.5087 39.53409 341.9908 40.20419 342.4729 40.79837 342.9550 41.32080 343.4371 41.66696 343.9193 41.68069 344.4014 41.71820 344.8835 42.59601 345.3656 44.31268 345.8477 46.04004 346.3298 47.44199 346.8120 48.55124 347.2941 49.31454 347.7762 49.68420 348.2583 50.02423 348.7404 50.67734 349.2225 51.65060 349.7047 52.98083 350.1868 55.00867 350.6689 57.24976 351.1510 58.64209 351.6331 59.19968 352.1152 59.96783 352.5974 62.17813 353.0795 65.16809 353.5616 67.68744 354.0437 69.19946 354.5258 70.34491 355.0079 71.67181 355.4901 73.17398 355.9722 74.84030 356.4543 76.66953 356.9364 78.65707 357.4185 80.84784 357.9006 83.32767 358.3828 85.87466 358.8649 88.44183 359.3470 90.93497 359.8291 93.26239 360.3112 95.32220 360.7933 97.32812 361.2755 99.41956 361.7576 101.6161 362.2397 103.8071 362.7218 105.8379 363.2039 107.7912 363.6860 109.8299 364.1682 112.1925 364.6503 114.5719 365.1324 116.8529 365.6145 119.0110 366.0966 120.9631 366.5787 122.3938 367.0609 123.8257 367.5430 125.5892 368.0251 128.4781 368.5072 130.8163 368.9893 132.2532 369.4714 133.0009 369.9536 133.7085 370.4357 134.3127 370.9178 134.9863 371.3999 135.7909 371.8820 136.7840 372.3641 137.7976 372.8463 138.9767 373.3284 140.0695 373.8105 140.7240 374.2926 140.9806 374.7747 140.6753 375.2568 139.5886 375.7390 137.7003 376.2211 136.2542 376.7032 135.4044 377.1853 134.6291 377.6674 133.2448 378.1495 131.1248 378.6317 129.5576 379.1138 129.0611 379.5959 129.1047 380.0780 127.8952 380.5601 125.3535 381.0422 122.5120 381.5244 119.9954 382.0065 117.7592 382.4886 115.7450 382.9707 113.9980 383.4528 112.2776 383.9349 110.3557 384.4171 108.1805 384.8992 105.5200 385.3813 101.7631 385.8634 97.56732 386.3455 94.01151 386.8276 91.15891 387.3098 88.55194 387.7919 85.78040 388.2740 82.94107 388.7561 80.24417 389.2382 77.94012 389.7203 75.58316 390.2025 72.72278 390.6846 69.47156 391.1667 66.28613 391.6488 63.27908 392.1309 60.56110 392.6130 58.31921 393.0952 56.96579 393.5773 55.32111 394.0594 52.58817 394.5415 49.26913 395.0236 46.29434 395.5057 44.20264 395.9879 42.29080 396.4700 40.27176 396.9521 38.09268 397.4342 36.03424 397.9163 34.11905 398.3984 32.35620 398.8806 30.75400 399.3627 29.94800 399.8448 28.55939 400.3269 26.01871 400.8090 22.55093 401.2911 19.96484 401.7733 18.54211 402.2554 17.63293 402.7375 16.97287 403.2196 16.76895 403.7017 16.28055 404.1838 15.42648 404.6660 14.34558 405.1481 13.28986 405.6302 12.22632 406.1123 11.29379 406.5944 10.62100 407.0765 10.18094 407.5587 9.442535 408.0408 8.347412 408.5229 7.153809 409.0050 6.129395 409.4871 5.264008 409.9692 4.330536 410.4514 3.152222 410.9335 2.000427 411.4156 1.525421 411.8977 1.687103 412.3798 1.963806 412.8619 2.160217 413.3441 2.203552 413.8262 1.887939 414.3083 1.135406 414.7904 0.2987980 415.2725 0.4288020 415.7546 0.9855040 416.2368 1.266541 416.7189 0.8311160 417.2010 0.3701170 417.6831 0.4996640 418.1652 1.196136 418.6473 1.945221 419.1295 2.698792 419.6116 3.259109 420.0937 3.402252 420.5758 2.686676 421.0579 2.122620 421.5400 2.210968 422.0222 2.695419 422.5043 2.950897 422.9864 2.624344 423.4685 2.218460 423.9506 1.916000 424.4327 1.754364 424.9149 1.603699 425.3970 1.530090 425.8791 1.425613 426.3612 1.185379 426.8433 0.7947690 427.3254 0.2782590 427.8076 0.4888000 428.2897 1.421875 428.7718 1.829224 429.2539 1.461517 429.7360 1.058655 430.2181 1.076950 430.7003 1.570648 431.1824 2.112167 431.6645 2.676834 432.1466 3.292938 432.6287 4.058075 433.1108 4.974228 433.5930 5.793518 434.0751 6.411774 434.5572 6.867142 435.0393 7.197754 435.5214 7.398361 436.0035 7.733276 436.4857 8.477844 436.9678 9.533539 437.4499 10.75529 437.9320 12.30254 438.4141 13.61420 438.8962 13.71428 439.3784 13.00400 439.8605 12.66512 440.3426 13.65151 440.8247 15.07336 441.3068 16.16153 441.7889 16.80754 442.2711 17.55310 442.7532 18.82372 443.2353 20.26866 443.7174 21.52377 444.1995 22.34018 444.6816 23.10629 445.1638 23.95454 445.6459 24.85069 446.1280 25.66345 446.6101 26.05472 447.0922 26.62207 447.5743 27.72392 448.0565 29.79785 448.5386 31.25253 449.0207 31.60077 449.5028 31.62970 449.9849 32.38025 450.4670 34.16714 450.9492 35.98627 451.4313 37.62332 451.9134 39.10925 452.3955 40.61578 452.8776 42.13257 453.3597 43.62308 453.8419 45.12608 454.3240 46.62645 454.8061 47.74890 455.2882 48.32085 455.7703 48.85623 456.2524 50.13919 456.7346 52.11804 457.2167 54.32275 457.6988 56.79108 458.1809 59.27419 458.6630 61.39725 459.1451 63.14990 459.6273 64.67380 460.1094 65.78972 460.5915 66.82153 461.0736 68.21378 461.5557 70.18738 462.0378 72.29201 462.5200 74.37445 463.0021 76.38690 463.4842 78.19763 463.9663 79.63216 464.4484 80.98071 464.9305 82.33148 465.4127 83.70013 465.8948 85.19965 466.3769 87.05472 466.8590 88.80194 467.3411 90.10260 467.8232 90.13269 468.3054 90.90460 468.7875 93.01073 469.2696 95.80392 469.7517 97.64145 470.2338 98.04324 470.7159 98.36633 471.1981 99.10355 471.6802 100.2647 472.1623 101.3125 472.6444 102.3233 473.1265 102.9866 473.6086 102.8452 474.0908 101.9420 474.5729 101.2202 475.0550 100.9184 475.5371 100.6026 476.0192 99.31522 476.5013 97.22208 476.9835 95.53322 477.4656 95.55588 477.9477 96.22115 478.4298 95.71881 478.9119 93.93431 479.3940 91.73123 479.8762 89.65514 480.3583 87.62598 480.8404 85.55795 481.3225 83.45142 481.8046 81.23990 482.2867 78.84946 482.7689 76.32256 483.2510 73.76413 483.7331 70.87173 484.2152 68.27298 484.6973 66.43907 485.1794 65.64003 485.6616 64.30719 486.1437 61.57793 486.6258 58.67262 487.1079 56.53629 487.5900 55.78204 488.0721 54.67752 488.5543 52.91161 489.0364 50.74025 489.5185 48.98244 490.0006 47.82220 490.4827 46.51830 490.9648 44.63385 491.4470 42.20740 491.9291 40.29620 492.4112 38.99171 492.8933 37.80917 493.3754 36.18263 493.8575 34.23187 494.3397 32.52986 494.8218 31.30130 495.3039 30.23032 495.7860 28.83688 496.2681 27.23239 496.7502 25.80310 497.2324 24.85925 497.7145 24.10699 498.1966 23.29544 498.6787 22.40027 499.1608 21.46034 499.6429 20.35861 500.1251 19.28389 500.6072 18.37668 501.0893 17.79584 501.5714 17.21802 502.0535 16.62811 502.5356 15.98421 503.0178 15.18938 503.4999 13.94017 503.9820 12.84996 504.4641 12.13095 504.9462 11.80144 505.4283 11.38551 505.9105 10.85049 506.3926 10.29486 506.8747 9.819717 507.3568 9.460098 507.8389 8.977661 508.3210 8.362503 508.8032 7.615829 509.2853 6.584854 509.7674 5.303574 510.2495 4.376389 510.7316 4.220352 511.2137 4.498276 511.6959 4.505524 512.1780 4.252563 512.6601 3.903656 513.1422 3.573471 513.6243 3.218124 514.1064 2.747330 514.5886 2.091248 515.0707 1.521957 515.5528 1.278259 516.0349 1.215805 516.5170 1.119019 516.9991 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