#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:36:04 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1180 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000597.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_1000597 loop_ _publ_author_name 'Finch, R. J.' 'Burns, P. C.' 'Hawthorne, F. C.' 'Ewing, R. C.' _publ_section_title ; Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8 Locality: Shaba, Democratic Republic of Congo ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 1197 _journal_page_last 1205 _journal_paper_doi 10.2113/gscanmin.44.5.1197 _journal_volume 44 _journal_year 2006 _chemical_compound_source R070624 _chemical_formula_sum 'Ba H6 O30 U6' _chemical_name_mineral Billietite _space_group_IT_number 33 _symmetry_space_group_name_Hall 'P 2c -2ab' _symmetry_space_group_name_H-M 'P b n 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 12.0941 _cell_length_b 30.211 _cell_length_c 7.1563 _cell_volume 2614.732 _exptl_crystal_density_diffrn 5.211 _cod_original_formula_sum 'Ba U6 O30 H6' _cod_database_code 9010599 _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 R070624.rod _rod_data_source.block 3500000 _rod_database.code 1000597 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 9010599 COD http://www.crystallography.net/cod/9010599.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 102.1658 0.0000000E+00 102.6479 1.095734 103.1300 1.172363 103.6121 8.0688000E-02 104.0942 0.2403260 104.5764 1.523682 105.0585 2.872742 105.5406 4.132202 106.0227 5.185455 106.5048 5.581177 106.9869 4.479279 107.4691 3.722748 107.9512 4.335510 108.4333 5.834351 108.9154 7.340851 109.3975 7.757385 109.8796 6.886627 110.3618 6.677948 110.8439 7.939514 111.3260 9.039185 111.8081 8.951721 112.2902 7.746002 112.7723 6.379852 113.2544 6.280548 113.7366 8.900909 114.2187 10.36035 114.7008 9.623779 115.1829 8.224457 115.6650 7.578156 116.1471 8.148468 116.6293 9.507111 117.1114 11.00714 117.5935 13.38229 118.0756 14.69791 118.5577 14.88580 119.0398 14.58164 119.5220 14.26270 120.0041 14.30005 120.4862 14.63150 120.9683 14.38480 121.4504 13.28714 121.9325 12.28696 122.4147 11.61523 122.8968 11.09137 123.3789 10.79745 123.8610 11.56409 124.3431 12.55573 124.8252 12.75876 125.3074 11.61227 125.7895 9.826599 126.2716 8.698547 126.7537 8.609711 127.2358 8.506561 127.7179 8.011780 128.2001 7.282959 128.6822 6.551208 129.1643 6.037506 129.6464 5.729950 130.1285 5.277588 130.6107 4.795044 131.0928 3.944641 131.5749 2.248199 132.0570 0.1239930 132.5391 1.562775 133.0212 1.980957 133.5034 0.9141540 133.9855 7.3821999E-02 134.4676 1.246948 134.9497 2.162262 135.4318 2.528412 135.9139 2.338379 136.3960 1.818329 136.8782 1.150665 137.3603 0.2769470 137.8424 0.3854370 138.3245 0.9226680 138.8066 1.194550 139.2887 0.8655400 139.7709 0.2659300 140.2530 1.490082 140.7351 1.767120 141.2172 1.196106 141.6993 0.7025150 142.1814 0.6004330 142.6636 0.8721620 143.1457 1.544128 143.6278 3.059235 144.1099 4.462494 144.5920 4.919006 145.0741 4.429565 145.5563 3.693573 146.0384 3.142670 146.5205 2.726532 147.0026 2.910980 147.4847 4.698822 147.9668 6.536621 148.4490 7.512939 148.9311 7.452057 149.4132 6.895752 149.8953 6.649933 150.3774 6.885132 150.8595 7.104462 151.3417 7.237671 151.8238 7.353088 152.3059 7.433594 152.7880 7.483765 153.2701 7.625580 153.7522 8.175842 154.2344 9.998444 154.7165 11.23727 155.1986 11.65430 155.6807 11.51392 156.1628 11.09521 156.6449 10.51495 157.1271 9.814606 157.6092 9.199036 158.0913 8.154449 158.5734 7.716888 159.0555 8.789764 159.5376 10.79446 160.0198 12.36011 160.5019 12.15759 160.9840 10.74698 161.4661 10.31854 161.9482 11.49527 162.4303 13.05042 162.9125 14.13632 163.3946 14.74789 163.8767 15.28055 164.3588 16.00766 164.8409 16.76892 165.3230 17.28656 165.8052 17.41364 166.2873 17.39761 166.7694 17.54340 167.2515 17.88348 167.7336 18.29044 168.2157 18.83682 168.6979 19.38089 169.1800 19.68542 169.6621 19.48993 170.1442 19.10312 170.6263 19.52557 171.1084 21.66690 171.5906 23.14227 172.0727 22.84732 172.5548 21.57880 173.0369 20.42807 173.5190 20.06531 174.0011 20.41135 174.4833 20.72955 174.9654 21.13379 175.4475 21.36246 175.9296 21.31500 176.4117 21.05872 176.8938 20.68552 177.3760 20.23401 177.8581 19.69357 178.3402 19.46872 178.8223 19.75327 179.3044 20.11987 179.7865 20.50674 180.2687 20.86621 180.7508 21.13309 181.2329 21.26511 181.7150 21.26297 182.1971 20.99228 182.6792 19.98627 183.1614 19.12390 183.6435 19.09573 184.1256 19.85654 184.6077 20.61899 185.0898 20.57709 185.5719 19.67633 186.0541 19.36761 186.5362 20.20590 187.0183 21.34097 187.5004 22.07300 187.9825 22.33221 188.4646 22.17490 188.9468 21.37683 189.4289 20.09729 189.9110 19.00705 190.3931 18.27469 190.8752 17.84012 191.3573 17.59189 191.8395 17.51498 192.3216 17.59668 192.8037 17.93082 193.2858 18.39938 193.7679 18.74417 194.2500 19.04453 194.7322 19.14761 195.2143 18.38657 195.6964 15.95413 196.1785 13.90527 196.6606 13.76163 197.1427 14.85052 197.6249 15.64795 198.1070 14.84070 198.5891 12.61096 199.0712 11.10532 199.5533 10.85941 200.0354 10.82233 200.5176 10.67126 200.9997 10.41931 201.4818 10.13168 201.9639 9.769043 202.4460 9.306610 202.9281 9.324280 203.4103 11.02136 203.8924 12.10724 204.3745 11.43607 204.8566 9.484222 205.3387 7.560913 205.8208 6.863495 206.3030 7.584137 206.7851 7.625671 207.2672 6.398621 207.7493 5.125275 208.2314 4.293793 208.7135 3.868256 209.1957 3.535889 209.6778 2.997223 210.1599 2.192047 210.6420 1.685028 211.1241 1.545746 211.6062 1.575623 212.0884 1.740021 212.5705 1.999573 213.0526 2.283813 213.5347 2.569641 214.0168 2.864899 214.4989 2.802185 214.9811 2.024536 215.4632 1.196930 215.9453 0.7084350 216.4274 0.5947570 216.9095 0.7861330 217.3916 1.410095 217.8737 2.419922 218.3559 2.628174 218.8380 1.308167 219.3201 0.3627320 219.8022 1.414581 220.2843 1.778381 220.7664 1.815094 221.2486 1.739441 221.7307 1.550018 222.2128 1.261292 222.6949 0.7650150 223.1770 0.2256770 223.6591 0.1988220 224.1413 0.5102230 224.6234 0.6612850 225.1055 0.4816280 225.5876 0.1178280 226.0697 0.1679080 226.5518 0.2893680 227.0340 0.3072510 227.5161 0.3271480 227.9982 0.3804930 228.4803 0.3271790 228.9624 0.1706850 229.4445 0.1514590 229.9267 0.8312380 230.4088 2.201385 230.8909 3.745972 231.3730 4.249725 231.8551 3.093933 232.3372 2.487274 232.8194 3.892639 233.3015 6.142700 233.7836 7.894836 234.2657 8.534515 234.7478 8.467102 235.2299 8.574860 235.7121 8.896759 236.1942 9.339020 236.6763 9.664154 237.1584 10.14810 237.6405 11.17957 238.1227 12.98953 238.6048 15.22223 239.0869 16.95578 239.5690 17.94101 240.0511 18.83719 240.5332 19.46301 241.0154 20.20575 241.4975 21.59076 241.9796 23.85388 242.4617 26.52692 242.9438 28.34967 243.4259 28.42587 243.9081 29.10846 244.3902 30.92194 244.8723 33.13647 245.3544 35.17184 245.8365 36.80295 246.3186 38.14981 246.8008 39.48151 247.2829 40.51981 247.7650 41.98254 248.2471 44.05014 248.7292 46.43954 249.2113 49.01279 249.6935 51.69354 250.1756 54.29483 250.6577 56.45166 251.1398 57.88046 251.6219 59.19284 252.1040 59.93463 252.5862 60.79044 253.0683 62.57196 253.5504 65.45166 254.0325 68.71381 254.5146 71.19064 254.9967 72.46091 255.4789 73.57755 255.9610 74.58081 256.4431 75.41061 256.9252 75.91779 257.4073 76.09424 257.8894 76.24063 258.3716 76.81769 258.8537 78.21378 259.3358 78.93744 259.8179 78.93097 260.3000 78.29761 260.7821 77.02188 261.2643 75.12167 261.7464 72.84378 262.2285 70.38550 262.7106 67.66125 263.1927 65.14600 263.6748 63.37689 264.1570 61.48410 264.6391 58.70752 265.1212 54.98196 265.6033 50.71402 266.0854 46.00140 266.5675 40.88391 267.0497 37.10425 267.5318 35.93420 268.0139 35.27344 268.4960 33.31570 268.9781 30.01819 269.4602 26.71796 269.9424 24.45618 270.4245 23.13553 270.9066 21.61011 271.3887 19.74786 271.8708 17.75311 272.3529 15.61386 272.8351 13.36841 273.3172 11.49518 273.7993 10.36166 274.2814 9.842468 274.7635 9.328033 275.2456 8.726379 275.7278 8.229004 276.2099 8.004486 276.6920 8.022461 277.1741 8.086823 277.6562 8.159454 278.1383 8.163025 278.6205 7.868103 279.1026 7.051544 279.5847 6.441406 280.0668 6.754700 280.5489 7.826385 281.0310 8.539642 281.5132 8.221344 281.9953 7.621552 282.4774 7.899445 282.9595 9.209076 283.4416 10.44040 283.9237 11.01822 284.4059 10.98865 284.8880 10.37271 285.3701 8.607941 285.8522 7.066681 286.3343 7.505188 286.8164 9.813843 287.2986 11.73706 287.7807 11.80264 288.2628 10.50421 288.7449 9.475037 289.2270 9.091797 289.7091 8.700287 290.1913 7.424347 290.6734 5.584198 291.1555 4.359070 291.6376 4.713409 292.1197 6.036835 292.6018 6.954010 293.0840 7.427124 293.5661 7.407593 294.0482 6.495880 294.5303 5.123444 295.0124 4.089813 295.4945 4.020081 295.9767 4.309448 296.4588 3.719849 296.9409 1.935028 297.4230 0.3591310 297.9051 6.6955999E-02 298.3872 6.7199998E-02 298.8694 0.1339720 299.3515 2.3682000E-02 299.8336 0.3513790 300.3157 0.9449160 300.7978 1.930176 301.2799 2.425354 301.7621 1.700989 302.2442 0.4949950 302.7263 0.6885380 303.2084 1.863739 303.6905 2.759796 304.1726 2.898529 304.6548 2.233521 305.1369 1.922546 305.6190 2.535675 306.1011 3.383392 306.5832 3.899994 307.0653 4.061188 307.5475 4.261139 308.0296 4.721405 308.5117 5.381866 308.9938 6.504150 309.4759 8.824951 309.9580 10.91208 310.4402 11.51117 310.9223 10.95428 311.4044 10.62479 311.8865 11.36554 312.3686 12.98920 312.8507 15.07098 313.3329 18.26852 313.8150 20.88651 314.2971 21.68353 314.7792 21.35858 315.2613 21.16034 315.7434 21.49203 316.2256 22.34711 316.7077 24.06384 317.1898 27.23105 317.6719 29.82217 318.1540 30.59619 318.6361 30.46194 319.1183 30.22641 319.6004 30.00177 320.0825 30.09662 320.5646 31.11511 321.0467 33.23615 321.5288 35.14188 322.0110 36.35837 322.4931 37.21143 322.9752 37.88855 323.4573 38.41238 323.9394 38.83218 324.4215 39.15506 324.9037 39.38156 325.3858 39.66541 325.8679 40.22549 326.3500 40.63373 326.8321 40.46472 327.3142 39.81128 327.7964 39.25583 328.2785 39.18051 328.7606 39.53070 329.2427 40.05527 329.7248 40.80203 330.2069 41.62851 330.6891 42.52457 331.1712 43.42892 331.6533 44.22549 332.1354 45.00140 332.6175 45.56744 333.0996 45.41913 333.5818 44.33200 334.0639 43.25150 334.5460 42.53763 335.0281 42.13678 335.5102 42.11172 335.9923 42.61649 336.4745 43.17984 336.9566 43.24341 337.4387 42.78510 337.9208 42.21362 338.4029 41.91083 338.8850 41.32764 339.3671 39.69318 339.8492 36.85184 340.3314 34.24072 340.8135 33.23148 341.2956 33.53110 341.7777 33.31516 342.2598 32.02948 342.7419 30.47754 343.2241 29.44968 343.7062 28.82431 344.1883 27.99780 344.6704 26.38046 345.1525 24.40863 345.6346 23.17755 346.1168 22.99979 346.5989 22.73444 347.0810 21.31653 347.5631 19.26056 348.0452 17.40295 348.5273 15.87381 349.0095 14.70651 349.4916 14.12823 349.9737 14.15875 350.4558 13.99731 350.9379 13.25381 351.4200 12.09177 351.9022 10.69141 352.3843 8.809418 352.8664 7.407227 353.3485 7.576233 353.8306 8.878754 354.3127 9.575409 354.7949 9.131805 355.2770 7.998535 355.7591 6.468323 356.2412 4.534149 356.7233 3.177216 357.2054 3.342682 357.6876 4.107880 358.1697 3.732727 358.6518 1.796051 359.1339 1.1963000E-02 359.6160 1.0380000E-03 360.0981 1.579865 360.5803 3.081024 361.0624 4.821442 361.5445 6.008026 362.0266 5.583893 362.5087 3.751740 362.9908 2.145325 363.4730 1.788208 363.9551 2.222015 364.4372 1.946106 364.9193 0.3890690 365.4014 0.8717960 365.8835 0.7887880 366.3657 1.0254000E-02 366.8478 0.1720280 367.3299 0.8265080 367.8120 2.293732 368.2941 3.198212 368.7762 3.521851 369.2584 3.448395 369.7405 2.527466 370.2226 1.492737 370.7047 1.155731 371.1868 1.583771 371.6689 2.168121 372.1511 2.417999 372.6332 2.307373 373.1153 1.880402 373.5974 0.7501830 374.0795 0.2931820 374.5616 0.7015690 375.0438 0.7077640 375.5259 1.004150 376.0080 2.021454 376.4901 3.463959 376.9722 4.267181 377.4543 3.890167 377.9365 3.581390 378.4186 3.280853 378.9007 3.190399 379.3828 3.713654 379.8649 4.909485 380.3470 6.182831 380.8292 6.644592 381.3113 5.822388 381.7934 5.610901 382.2755 6.162842 382.7576 7.100769 383.2397 8.460541 383.7219 10.06061 384.2040 11.39490 384.6861 11.97699 385.1682 11.90259 385.6503 12.68173 386.1324 15.51395 386.6146 17.90033 387.0967 19.22739 387.5788 19.91391 388.0609 20.49661 388.5430 21.20166 389.0251 21.93906 389.5073 22.47021 389.9894 22.44287 390.4715 22.97800 390.9536 24.62784 391.4357 26.38715 391.9178 27.46686 392.4000 27.90356 392.8821 28.45078 393.3642 30.02710 393.8463 32.69037 394.3284 34.41714 394.8105 34.34259 395.2927 34.29608 395.7748 34.80988 396.2569 35.78625 396.7390 37.10431 397.2211 38.81451 397.7032 40.59521 398.1854 41.52213 398.6675 41.10339 399.1496 41.34872 399.6317 43.96878 400.1138 46.77631 400.5959 48.07831 401.0781 47.59366 401.5602 46.25531 402.0423 44.36496 402.5244 42.06976 403.0065 41.13702 403.4886 42.53256 403.9708 44.24728 404.4529 44.97836 404.9350 44.90210 405.4171 44.47037 405.8992 43.54208 406.3813 42.53702 406.8635 42.29324 407.3456 42.92224 407.8277 43.24570 408.3098 42.33597 408.7919 40.92737 409.2740 40.31543 409.7562 40.83893 410.2383 41.45200 410.7204 41.53696 411.2025 41.21371 411.6846 40.77567 412.1667 40.22540 412.6489 39.77899 413.1310 39.76654 413.6131 40.16971 414.0952 40.58856 414.5773 41.02374 415.0594 41.40054 415.5416 41.76584 416.0237 42.07123 416.5058 41.90948 416.9879 40.79877 417.4700 39.06195 417.9521 38.20956 418.4343 38.48938 418.9164 39.08655 419.3985 40.00027 419.8806 41.03372 420.3627 41.82959 420.8448 42.27957 421.3270 42.68927 421.8091 43.57401 422.2912 45.28854 422.7733 46.36404 423.2554 46.43167 423.7375 46.23672 424.2197 46.20813 424.7018 46.27869 425.1839 46.05734 425.6660 45.19827 426.1481 43.93280 426.6302 43.67975 427.1124 45.52539 427.5945 47.21606 428.0766 48.62167 428.5587 49.63934 429.0408 50.09384 429.5229 49.96722 430.0051 49.58881 430.4872 49.33524 430.9693 49.15295 431.4514 49.46576 431.9335 50.56525 432.4156 51.87115 432.8978 53.12500 433.3799 54.41144 433.8620 56.04446 434.3441 58.41833 434.8262 61.08420 435.3083 62.55029 435.7905 62.13004 436.2726 62.17725 436.7547 63.80386 437.2368 66.14166 437.7189 68.62628 438.2010 71.18506 438.6832 73.54572 439.1653 75.21973 439.6474 76.28781 440.1295 77.46625 440.6116 78.74561 441.0938 80.29776 441.5759 82.58200 442.0580 85.34271 442.5401 87.77121 443.0222 89.47119 443.5043 90.90833 443.9865 92.39603 444.4686 93.86349 444.9507 95.38669 445.4328 96.88782 445.9149 98.63519 446.3970 101.4262 446.8792 105.8348 447.3613 109.4693 447.8434 111.4611 448.3255 112.4553 448.8076 113.0849 449.2897 113.4621 449.7719 113.7181 450.2540 114.0196 450.7361 114.3840 451.2182 114.2800 451.7003 113.3161 452.1824 112.3907 452.6646 112.0420 453.1467 111.9057 453.6288 111.3316 454.1109 110.0316 454.5930 108.2947 455.0751 106.7038 455.5573 105.5323 456.0394 103.9467 456.5215 101.5944 457.0036 99.19733 457.4857 97.18271 457.9678 95.52222 458.4500 93.94043 458.9321 92.26758 459.4142 90.48312 459.8963 88.49649 460.3784 86.53699 460.8605 83.92892 461.3427 79.79715 461.8248 75.36780 462.3069 71.94592 462.7890 69.85516 463.2711 68.07587 463.7532 65.66055 464.2354 62.62079 464.7175 59.25665 465.1996 55.45425 465.6817 51.55875 466.1638 47.58661 466.6459 43.69562 467.1281 40.33548 467.6102 37.92163 468.0923 35.87265 468.5744 33.54486 469.0565 30.96405 469.5386 28.60559 470.0208 26.67953 470.5029 25.03644 470.9850 23.46323 471.4671 21.96115 471.9492 20.46149 472.4313 18.77139 472.9135 17.16873 473.3956 16.19946 473.8777 15.79791 474.3598 14.95847 474.8419 12.73303 475.3240 9.369598 475.8062 7.388824 476.2883 7.895721 476.7704 8.220276 477.2525 7.617279 477.7346 6.645294 478.2167 6.075562 478.6989 6.077576 479.1810 6.109009 479.6631 5.395355 480.1452 3.704315 480.6273 2.482452 481.1094 1.584229 481.5916 1.322815 482.0737 2.425171 482.5558 4.129425 483.0379 5.161560 483.5200 4.883698 484.0021 3.786774 484.4843 2.610779 484.9664 1.175537 485.4485 0.4936220 485.9306 1.582916 486.4127 2.797333 486.8948 3.030182 487.3770 2.356079 487.8591 1.493408 488.3412 0.5489810 488.8233 0.2170100 489.3054 0.1089480 489.7875 0.9747310 490.2697 1.987213 490.7518 2.553345 491.2339 2.593567 491.7160 1.897430 492.1981 2.5574001E-02 492.6802 1.234375 493.1624 0.1695560 493.6445 1.849945 494.1266 2.929474 494.6087 2.744873 495.0908 1.724121 495.5729 7.2940001E-03 496.0551 2.374969 496.5372 3.701752 497.0193 3.683350 497.5014 3.130341 497.9835 1.767853 498.4656 0.2013240 498.9478 0.7674870 499.4299 0.8756710 499.9120 0.3915410 500.3941 0.4346010 500.8762 1.934662 501.3583 2.468994 501.8405 1.018890 502.3226 0.3628540 502.8047 0.9708250 503.2868 0.9755860 503.7689 0.7431640 504.2510 0.4303890 504.7331 6.3110001E-02 505.2152 0.4068910 505.6974 1.066101 506.1795 1.279175 506.6616 0.5282590 507.1437 0.3524170 507.6258 0.7125850 508.1079 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