#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-06-07 11:35:56 +0300 (Thu, 07 Jun 2018) $ #$Revision: 1178 $ #$URL: svn://172.16.1.111/rod/cif/1/00/05/1000596.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_1000596 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 R070588 _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 R070588.rod _rod_data_source.block 3500000 _rod_database.code 1000596 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 95.64258 0.0000000E+00 96.12469 21.06128 96.60681 5.773438 97.08893 11.26270 97.57104 17.64160 98.05316 89.34180 98.53528 204.9741 99.01740 350.3433 99.49951 497.8740 99.98163 647.7510 100.4637 796.5181 100.9459 946.2251 101.4280 1094.614 101.9101 1232.311 102.3922 1342.355 102.8743 1269.411 103.3564 1236.371 103.8386 1268.868 104.3207 1315.341 104.8028 1327.645 105.2849 1301.214 105.7670 1273.991 106.2491 1272.372 106.7313 1284.640 107.2134 1294.572 107.6955 1299.400 108.1776 1297.322 108.6597 1279.700 109.1418 1240.725 109.6240 1190.261 110.1061 1128.376 110.5882 1058.146 111.0703 988.8174 111.5524 929.7837 112.0345 882.9775 112.5167 835.5176 112.9988 779.4385 113.4809 726.6147 113.9630 687.9556 114.4451 664.7256 114.9272 645.8857 115.4094 608.3848 115.8915 517.5298 116.3736 453.6372 116.8557 429.7852 117.3378 430.0249 117.8199 438.4912 118.3021 447.3550 118.7842 455.9639 119.2663 459.9443 119.7484 454.8701 120.2305 450.5728 120.7127 452.0039 121.1948 457.6221 121.6769 461.2051 122.1590 457.0474 122.6411 444.8828 123.1232 437.4712 123.6054 433.6528 124.0875 435.0518 124.5696 445.2900 125.0517 465.7100 125.5338 487.3296 126.0159 501.3062 126.4981 509.0005 126.9802 513.5205 127.4623 511.8765 127.9444 507.2480 128.4265 509.7510 128.9086 522.6909 129.3907 542.4243 129.8729 565.4199 130.3550 591.6523 130.8371 619.9800 131.3192 645.3301 131.8013 665.4380 132.2834 701.8745 132.7656 780.1772 133.2477 864.7666 133.7298 930.4033 134.2119 969.2925 134.6940 997.9634 135.1761 1048.916 135.6583 1135.785 136.1404 1222.914 136.6225 1305.645 137.1046 1384.765 137.5867 1459.739 138.0688 1530.115 138.5510 1596.749 139.0331 1667.341 139.5152 1738.817 139.9973 1817.685 140.4794 1914.348 140.9615 2020.163 141.4437 2115.823 141.9258 2184.523 142.4079 2221.543 142.8900 2278.090 143.3721 2363.880 143.8542 2456.919 144.3364 2546.684 144.8185 2631.841 145.3006 2715.682 145.7827 2802.722 146.2648 2894.606 146.7469 2981.750 147.2291 3057.702 147.7112 3131.207 148.1933 3212.853 148.6754 3306.479 149.1575 3404.653 149.6396 3498.149 150.1218 3588.099 150.6039 3670.355 151.0860 3740.577 151.5681 3801.349 152.0502 3860.595 152.5324 3916.165 153.0145 3976.419 153.4966 4041.412 153.9787 4129.646 154.4608 4216.957 154.9429 4284.613 155.4251 4332.255 155.9072 4370.754 156.3893 4401.089 156.8714 4424.888 157.3535 4443.623 157.8356 4458.048 158.3178 4466.150 158.7999 4462.693 159.2820 4441.883 159.7641 4422.997 160.2462 4420.647 160.7283 4421.228 161.2105 4408.192 161.6926 4370.966 162.1747 4315.579 162.6568 4269.020 163.1389 4244.927 163.6210 4213.158 164.1032 4156.254 164.5853 4090.131 165.0674 4037.343 165.5495 4016.280 166.0316 4027.454 166.5137 4028.452 166.9959 4020.251 167.4780 4003.459 167.9601 3969.024 168.4422 3921.339 168.9243 3874.775 169.4064 3845.555 169.8886 3839.968 170.3707 3828.901 170.8528 3807.371 171.3349 3783.237 171.8170 3761.019 172.2991 3741.512 172.7813 3722.859 173.2634 3701.784 173.7455 3672.854 174.2276 3655.904 174.7097 3661.680 175.1918 3674.633 175.6740 3676.643 176.1561 3663.132 176.6382 3647.326 177.1203 3656.716 177.6024 3705.829 178.0845 3742.620 178.5667 3746.923 179.0488 3733.236 179.5309 3725.179 180.0130 3729.090 180.4951 3748.035 180.9772 3790.986 181.4594 3870.701 181.9415 3943.419 182.4236 3979.292 182.9057 3987.103 183.3878 4005.585 183.8699 4053.000 184.3521 4122.041 184.8342 4192.679 185.3163 4262.997 185.7984 4336.831 186.2805 4421.078 186.7626 4516.153 187.2448 4605.649 187.7269 4678.975 188.2090 4741.629 188.6911 4798.750 189.1732 4846.616 189.6553 4894.244 190.1375 4955.114 190.6196 5032.702 191.1017 5112.596 191.5838 5193.323 192.0659 5271.093 192.5480 5340.665 193.0302 5395.276 193.5123 5442.167 193.9944 5501.755 194.4765 5584.529 194.9586 5661.242 195.4408 5726.170 195.9229 5777.692 196.4050 5813.410 196.8871 5832.803 197.3692 5835.357 197.8513 5815.715 198.3335 5750.104 198.8156 5688.054 199.2977 5655.164 199.7798 5638.565 200.2619 5611.476 200.7440 5553.854 201.2262 5465.170 201.7083 5363.385 202.1904 5240.955 202.6725 5111.571 203.1546 4983.754 203.6367 4853.342 204.1189 4708.335 204.6010 4533.984 205.0831 4321.315 205.5652 4125.681 206.0473 3962.378 206.5294 3799.961 207.0116 3621.899 207.4937 3428.468 207.9758 3233.186 208.4579 3050.739 208.9400 2882.587 209.4221 2722.120 209.9043 2574.598 210.3864 2429.044 210.8685 2280.288 211.3506 2127.229 211.8327 1970.081 212.3148 1807.847 212.7970 1627.767 213.2791 1478.672 213.7612 1383.378 214.2433 1302.673 214.7254 1204.067 215.2075 1080.736 215.6897 948.2886 216.1718 830.8887 216.6539 734.4043 217.1360 643.4248 217.6181 557.4248 218.1002 477.1699 218.5824 406.3027 219.0645 346.0146 219.5466 289.9146 220.0287 226.0312 220.5108 150.0986 220.9929 76.78369 221.4751 0.7109380 221.9572 72.12549 222.4393 119.7075 222.9214 135.5610 223.4035 135.6206 223.8856 153.1157 224.3678 198.2388 224.8499 230.6714 225.3320 231.9619 225.8141 214.8252 226.2962 204.4053 226.7783 211.4087 227.2605 224.3354 227.7426 220.4517 228.2247 197.4258 228.7068 170.3965 229.1889 143.1514 229.6710 116.0479 230.1532 89.82275 230.6353 64.54639 231.1174 40.79443 231.5995 21.63086 232.0816 11.94238 232.5637 6.981934 233.0459 49.72803 233.5280 111.2954 234.0101 172.1460 234.4922 224.3008 234.9743 272.2764 235.4564 323.3662 235.9386 376.3096 236.4207 431.7041 236.9028 494.6104 237.3849 564.0054 237.8670 626.7949 238.3491 672.5903 238.8313 710.2109 239.3134 754.3052 239.7955 806.6914 240.2776 862.9927 240.7597 923.0835 241.2418 986.5771 241.7240 1043.129 242.2061 1085.662 242.6882 1120.942 243.1703 1156.704 243.6524 1193.290 244.1345 1228.855 244.6167 1260.072 245.0988 1287.045 245.5809 1319.481 246.0630 1368.779 246.5451 1419.816 247.0272 1456.438 247.5094 1474.279 247.9915 1486.311 248.4736 1502.264 248.9557 1521.864 249.4378 1550.273 249.9199 1600.009 250.4021 1653.552 250.8842 1691.301 251.3663 1706.570 251.8484 1723.921 252.3305 1775.508 252.8126 1866.302 253.2948 1948.521 253.7769 2003.400 254.2590 2044.987 254.7411 2080.135 255.2232 2108.832 255.7053 2140.135 256.1875 2187.786 256.6696 2255.429 257.1517 2316.866 257.6338 2361.099 258.1159 2397.928 258.5981 2432.679 259.0802 2466.433 259.5623 2498.807 260.0444 2537.289 260.5265 2588.826 261.0086 2606.770 261.4908 2542.224 261.9729 2459.672 262.4550 2401.973 262.9371 2378.763 263.4192 2364.400 263.9013 2327.567 264.3835 2264.664 264.8656 2199.472 265.3477 2143.991 265.8298 2083.705 266.3119 2005.637 266.7940 1907.661 267.2762 1804.214 267.7583 1714.297 268.2404 1641.132 268.7225 1564.583 269.2046 1471.826 269.6867 1379.899 270.1689 1298.460 270.6510 1229.289 271.1331 1168.639 271.6152 1117.087 272.0973 1078.351 272.5794 1026.256 273.0616 934.0862 273.5437 842.2725 274.0258 774.5557 274.5079 733.3091 274.9900 702.6919 275.4721 664.3130 275.9543 615.6960 276.4364 574.7388 276.9185 547.6287 277.4006 526.2896 277.8827 509.6953 278.3648 496.6711 278.8470 482.8765 279.3291 462.2754 279.8112 431.0259 280.2933 399.8687 280.7754 372.5764 281.2575 347.1453 281.7397 320.5176 282.2218 291.4214 282.7039 263.7017 283.1860 244.2507 283.6681 235.0627 284.1502 220.8020 284.6324 192.7456 285.1145 164.1309 285.5966 143.2476 286.0787 130.3264 286.5608 120.0137 287.0429 107.6243 287.5251 93.15356 288.0072 80.12988 288.4893 69.63281 288.9714 59.24854 289.4535 47.65552 289.9356 34.61230 290.4178 21.51123 290.8999 8.795898 291.3820 4.618164 291.8641 15.52954 292.3462 26.20605 292.8283 30.88135 293.3105 22.26318 293.7926 5.685791 294.2747 5.794922 294.7568 0.5002440 295.2389 20.29639 295.7210 26.92969 296.2032 12.10791 296.6853 4.856934 297.1674 17.01660 297.6495 25.02051 298.1316 30.00879 298.6137 31.35815 299.0959 30.47388 299.5780 31.19409 300.0601 29.10645 300.5422 37.37598 301.0243 66.09180 301.5064 105.8904 301.9886 144.3010 302.4707 177.3669 302.9528 203.6812 303.4349 215.0852 303.9170 199.5486 304.3991 198.6062 304.8813 241.9641 305.3634 303.4426 305.8455 352.7686 306.3276 376.8320 306.8097 388.0081 307.2918 403.6218 307.7740 421.6335 308.2561 451.8003 308.7382 512.5444 309.2203 580.5276 309.7024 634.0752 310.1845 665.5757 310.6667 687.5081 311.1488 711.6108 311.6309 736.9021 312.1130 773.8601 312.5951 838.9656 313.0772 911.4014 313.5594 970.2297 314.0415 1010.239 314.5236 1049.252 315.0057 1105.717 315.4878 1179.100 315.9699 1247.871 316.4521 1304.532 316.9342 1356.087 317.4163 1408.727 317.8984 1463.153 318.3805 1518.810 318.8626 1579.636 319.3448 1642.313 319.8269 1687.765 320.3090 1700.593 320.7911 1713.595 321.2732 1762.898 321.7553 1844.727 322.2375 1916.675 322.7196 1953.555 323.2017 1964.974 323.6838 1975.396 324.1659 1986.410 324.6480 2000.417 325.1302 2019.775 325.6123 2043.729 326.0944 2070.930 326.5765 2105.709 327.0586 2141.882 327.5407 2168.994 328.0229 2185.122 328.5050 2197.577 328.9871 2212.525 329.4692 2228.582 329.9513 2240.253 330.4334 2243.616 330.9156 2243.885 331.3977 2248.065 331.8798 2256.302 332.3619 2259.285 332.8440 2247.718 333.3261 2226.256 333.8083 2213.583 334.2904 2222.987 334.7725 2229.903 335.2546 2215.818 335.7367 2184.109 336.2188 2151.610 336.7010 2126.634 337.1831 2106.205 337.6652 2080.883 338.1473 2051.585 338.6294 2017.278 339.1115 1974.547 339.5937 1926.589 340.0758 1880.166 340.5579 1837.627 341.0400 1797.721 341.5221 1758.336 342.0042 1720.723 342.4864 1680.080 342.9685 1632.020 343.4506 1581.755 343.9327 1535.643 344.4148 1495.446 344.8969 1459.331 345.3791 1426.463 345.8612 1402.854 346.3433 1364.816 346.8254 1290.486 347.3075 1215.984 347.7896 1174.886 348.2718 1168.281 348.7539 1169.256 349.2360 1151.900 349.7181 1114.636 350.2002 1067.398 350.6823 992.0063 351.1645 926.2988 351.6466 897.8230 352.1287 896.6160 352.6108 891.1055 353.0929 857.2883 353.5750 797.7229 354.0572 745.6396 354.5393 702.3030 355.0214 664.8860 355.5035 635.3162 355.9856 610.3193 356.4677 585.3005 356.9499 557.8850 357.4320 528.7073 357.9141 499.3589 358.3962 467.9675 358.8783 440.7729 359.3604 422.2668 359.8426 405.6169 360.3247 383.3164 360.8068 353.2261 361.2889 320.2415 361.7710 293.4927 362.2531 275.8652 362.7353 256.4316 363.2174 233.6145 363.6995 209.3088 364.1816 183.4570 364.6637 156.6682 365.1458 131.3960 365.6280 108.5771 366.1101 87.63574 366.5922 76.27197 367.0743 85.63940 367.5564 93.46533 368.0385 91.04370 368.5207 78.87622 369.0028 59.45337 369.4849 29.09424 369.9670 7.264160 370.4491 29.05420 370.9312 30.80688 371.4134 29.06665 371.8955 33.21558 372.3776 39.09473 372.8597 39.75537 373.3418 30.22192 373.8239 17.74414 374.3061 12.10254 374.7882 13.68823 375.2703 18.96802 375.7524 31.86694 376.2345 44.60132 376.7166 44.84253 377.1988 26.14185 377.6809 10.63306 378.1630 21.57275 378.6451 51.15991 379.1272 64.90918 379.6093 48.86816 380.0915 20.26953 380.5736 1.971191 381.0557 5.954102 381.5378 11.56958 382.0199 15.81396 382.5020 19.84399 382.9842 26.00562 383.4663 34.81396 383.9484 42.99365 384.4305 46.50732 384.9126 44.86792 385.3947 47.10938 385.8769 55.79590 386.3590 66.52344 386.8411 77.63379 387.3232 88.46387 387.8053 96.06128 388.2874 96.62036 388.7696 92.48291 389.2517 104.0454 389.7338 148.7876 390.2159 186.2834 390.6980 200.1387 391.1801 201.6445 391.6623 209.1663 392.1444 230.5339 392.6265 258.0588 393.1086 274.3542 393.5907 261.5532 394.0728 264.7849 394.5550 295.2549 395.0371 333.2988 395.5192 367.1624 396.0013 393.2188 396.4834 411.2671 396.9655 417.9788 397.4477 408.6389 397.9298 413.5632 398.4119 450.4927 398.8940 485.5261 399.3761 504.5078 399.8582 511.1472 400.3404 516.5583 400.8225 527.8103 401.3046 543.9282 401.7867 560.8967 402.2688 580.9541 402.7509 597.5635 403.2331 605.9409 403.7152 611.1819 404.1973 619.4990 404.6794 633.4324 405.1615 649.3704 405.6436 663.2939 406.1258 675.3066 406.6079 684.4412 407.0900 688.8518 407.5721 691.4106 408.0542 693.6648 408.5363 695.4575 409.0185 701.2676 409.5006 715.5659 409.9827 735.8413 410.4648 755.1060 410.9469 771.7136 411.4290 789.2578 411.9112 814.5415 412.3933 845.4565 412.8754 866.8640 413.3575 866.1067 413.8396 862.0061 414.3217 872.5850 414.8039 896.7361 415.2860 920.2568 415.7681 932.6589 416.2502 938.2991 416.7323 959.2432 417.2144 1009.370 417.6966 1055.642 418.1787 1086.039 418.6608 1107.947 419.1429 1130.743 419.6250 1157.920 420.1071 1190.256 420.5893 1229.886 421.0714 1281.243 421.5535 1330.749 422.0356 1380.296 422.5177 1426.656 422.9998 1462.781 423.4820 1491.792 423.9641 1527.883 424.4462 1586.186 424.9283 1667.276 425.4104 1735.276 425.8925 1778.409 426.3747 1821.642 426.8568 1864.551 427.3389 1912.444 427.8210 1973.279 428.3031 2051.835 428.7852 2140.935 429.2674 2224.857 429.7495 2303.064 430.2316 2377.296 430.7137 2440.983 431.1958 2506.011 431.6779 2582.650 432.1601 2671.058 432.6422 2759.030 433.1243 2833.561 433.6064 2898.652 434.0885 2977.767 434.5706 3081.382 435.0528 3186.083 435.5349 3269.797 436.0170 3335.920 436.4991 3396.955 436.9812 3448.929 437.4633 3506.031 437.9455 3586.619 438.4276 3687.915 438.9097 3785.199 439.3918 3867.583 439.8739 3935.325 440.3560 3989.409 440.8382 4020.411 441.3203 4054.831 441.8024 4103.270 442.2845 4157.948 442.7666 4208.887 443.2487 4253.020 443.7309 4293.343 444.2130 4334.342 444.6951 4380.897 445.1772 4409.622 445.6593 4420.588 446.1414 4416.483 446.6236 4393.284 447.1057 4355.628 447.5878 4315.017 448.0699 4280.570 448.5520 4248.696 449.0341 4199.683 449.5163 4123.796 449.9984 4044.766 450.4805 3967.258 450.9626 3889.522 451.4447 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1279.721 4.775955 1280.203 0.0000000E+00