#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:34:27 +0300 (Thu, 24 May 2018) $ #$Revision: 736 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000240.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_1000240 loop_ _publ_author_name 'Rosenzweig, A.' 'Ryan, R. R.' _publ_section_title ; Kasolite, Pb(UO2)(SiO4)*H2O ; _journal_name_full 'Crystal Structure Communications' _journal_page_first 617 _journal_page_last 621 _journal_volume 6 _journal_year 1977 _chemical_compound_source R060479 _chemical_formula_sum 'H2 O7 Pb Si U' _chemical_name_mineral Kasolite _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 104.22 _cell_angle_gamma 90 _cell_length_a 6.704 _cell_length_b 6.932 _cell_length_c 13.252 _cell_volume 596.979 _exptl_crystal_density_diffrn 6.535 _cod_original_formula_sum 'Pb U Si O7 H2' _cod_database_code 9012787 _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 R060479.rod _rod_data_source.block 3500000 _rod_database.code 1000240 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 9012787 COD http://www.crystallography.net/cod/9012787.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 199.4506 0.0000000E+00 199.9327 1.0990000E-03 200.4148 0.3465880 200.8969 0.5556640 201.3790 5.0140001E-02 201.8611 0.4283450 202.3433 0.1368710 202.8254 0.8181150 203.3075 1.748871 203.7896 2.440125 204.2717 3.122681 204.7538 4.528503 205.2360 6.831696 205.7181 9.119659 206.2002 10.69116 206.6823 11.34335 207.1644 12.53610 207.6465 14.49161 208.1287 16.97421 208.6108 19.37952 209.0929 21.66321 209.5750 23.97739 210.0571 26.50134 210.5392 29.41183 211.0214 31.70212 211.5035 33.04639 211.9856 33.78745 212.4677 35.21323 212.9498 37.54013 213.4319 40.09180 213.9140 42.52530 214.3962 44.85703 214.8783 47.01675 215.3604 48.87607 215.8425 50.57443 216.3246 52.60739 216.8067 55.10324 217.2889 57.71204 217.7710 60.25659 218.2531 62.74094 218.7352 65.12628 219.2173 67.29901 219.6994 69.39032 220.1816 71.97125 220.6637 75.35739 221.1458 78.73749 221.6279 81.56174 222.1100 83.70758 222.5921 85.66589 223.0743 87.44638 223.5564 89.07101 224.0385 90.73718 224.5206 92.46970 225.0027 94.16565 225.4848 95.82611 225.9670 97.64362 226.4491 98.92532 226.9312 99.44849 227.4133 99.39218 227.8954 99.63309 228.3775 100.3564 228.8597 101.0884 229.3418 101.5691 229.8239 101.8376 230.3060 101.7578 230.7881 101.2738 231.2702 100.4181 231.7524 99.37402 232.2345 98.11569 232.7166 96.71063 233.1987 95.23285 233.6808 93.78528 234.1629 92.01050 234.6451 89.74359 235.1272 87.10861 235.6093 84.65207 236.0914 82.61499 236.5735 80.42892 237.0556 77.72891 237.5378 74.18323 238.0199 70.87497 238.5020 67.97626 238.9841 65.35657 239.4662 62.58609 239.9483 59.58304 240.4305 56.55786 240.9126 53.54108 241.3947 50.30673 241.8768 47.60663 242.3589 45.60870 242.8410 44.16824 243.3232 42.73294 243.8053 41.26355 244.2874 39.85785 244.7695 38.59933 245.2516 37.59012 245.7337 36.45374 246.2159 35.12439 246.6980 33.65005 247.1801 32.18817 247.6622 30.54309 248.1443 29.16830 248.6264 28.40195 249.1086 28.76422 249.5907 28.42270 250.0728 27.00073 250.5549 25.08691 251.0370 23.95981 251.5191 24.01279 252.0013 23.90329 252.4834 22.76343 252.9655 19.70749 253.4476 17.68222 253.9297 17.23636 254.4118 17.74878 254.8940 17.94910 255.3761 17.76581 255.8582 17.22327 256.3403 16.23663 256.8224 14.72635 257.3046 13.49902 257.7867 12.86398 258.2688 12.61182 258.7509 12.34390 259.2330 12.14340 259.7151 11.73776 260.1973 10.88217 260.6794 9.327881 261.1615 8.532898 261.6436 8.786194 262.1257 9.558380 262.6078 9.937134 263.0900 9.739960 263.5721 9.599854 264.0542 9.784760 264.5363 10.37756 265.0184 10.71771 265.5005 10.59729 265.9827 10.47925 266.4648 11.12949 266.9469 12.84232 267.4290 14.46335 267.9111 15.61975 268.3932 16.27322 268.8754 16.96713 269.3575 17.68320 269.8396 18.45404 270.3217 19.25659 270.8038 20.00513 271.2859 21.09595 271.7681 22.75513 272.2502 24.94388 272.7323 26.78665 273.2144 28.16608 273.6965 29.37555 274.1786 30.71725 274.6608 32.22913 275.1429 33.73071 275.6250 35.20154 276.1071 36.62827 276.5892 37.93768 277.0714 39.09277 277.5535 40.18930 278.0356 41.33746 278.5177 42.55258 278.9998 43.62036 279.4819 44.41449 279.9641 45.04340 280.4462 46.10623 280.9283 47.75909 281.4104 49.17767 281.8925 49.58258 282.3746 48.96240 282.8568 48.34787 283.3389 47.94247 283.8210 47.63406 284.3031 47.16553 284.7852 46.55670 285.2673 45.66138 285.7495 44.26904 286.2316 42.42111 286.7137 40.58536 287.1958 38.80627 287.6779 37.09512 288.1600 35.56723 288.6422 34.22696 289.1243 32.69647 289.6064 30.68628 290.0885 28.26550 290.5706 25.87799 291.0527 23.53937 291.5349 21.28476 292.0170 19.14508 292.4991 17.13870 292.9812 15.27216 293.4633 13.58667 293.9454 12.05954 294.4276 10.62440 294.9097 9.277115 295.3918 8.100952 295.8739 7.374603 296.3560 6.996216 296.8381 6.430008 297.3203 5.241318 297.8024 3.738052 298.2845 2.491760 298.7666 1.507401 299.2487 0.8025820 299.7308 0.6433870 300.2130 0.8031460 300.6951 0.6286160 301.1772 0.6123500 301.6593 2.103683 302.1414 2.529480 302.6235 1.906845 303.1057 1.175293 303.5878 1.156570 304.0699 1.575760 304.5520 1.927383 305.0341 2.090836 305.5162 2.076263 305.9984 1.734451 306.4805 1.132645 306.9626 0.7300110 307.4447 1.022369 307.9268 1.640991 308.4089 2.108414 308.8911 2.255142 309.3732 2.264984 309.8553 2.306274 310.3374 2.328415 310.8195 2.209305 311.3016 1.940674 311.7838 1.465851 312.2659 0.6203920 312.7480 0.9394380 313.2301 2.203369 313.7122 2.291473 314.1943 1.660309 314.6765 1.274536 315.1586 1.737610 315.6407 2.431992 316.1228 2.988190 316.6049 3.313812 317.0870 3.531036 317.5692 3.635986 318.0513 3.744568 318.5334 4.012146 319.0155 4.783676 319.4976 5.536392 319.9797 5.977142 320.4619 6.056793 320.9440 6.043777 321.4261 5.821777 321.9082 5.613007 322.3903 5.630035 322.8724 6.489075 323.3546 7.033615 323.8367 6.651108 324.3188 5.382431 324.8009 4.739105 325.2830 5.484543 325.7651 6.627609 326.2473 7.527924 326.7294 8.059692 327.2115 8.423767 327.6936 8.575729 328.1757 8.554855 328.6578 8.548752 329.1400 8.481583 329.6221 8.517944 330.1042 8.736526 330.5863 9.301498 331.0684 9.781601 331.5505 10.11757 332.0327 10.36996 332.5148 10.68163 332.9969 11.08612 333.4790 11.49414 333.9611 11.84399 334.4432 12.06442 334.9254 12.49707 335.4075 13.24579 335.8896 14.10271 336.3717 14.79648 336.8538 15.31693 337.3359 15.67213 337.8180 15.81862 338.3001 15.76234 338.7823 15.78590 339.2644 15.92148 339.7465 16.08925 340.2286 16.19051 340.7107 16.20279 341.1928 16.32784 341.6750 16.64085 342.1571 17.09177 342.6392 17.48344 343.1213 17.82016 343.6034 18.09773 344.0855 18.37416 344.5677 18.64003 345.0498 18.57684 345.5319 18.03375 346.0140 17.33469 346.4961 17.20786 346.9782 17.62828 347.4604 17.93901 347.9425 17.66466 348.4246 16.96138 348.9067 16.37128 349.3888 15.90788 349.8709 15.63104 350.3531 15.79568 350.8352 16.26060 351.3173 16.50380 351.7994 16.05870 352.2815 15.32867 352.7636 15.03702 353.2458 15.18120 353.7279 15.35844 354.2100 15.24916 354.6921 14.93428 355.1742 14.56306 355.6563 14.23288 356.1385 13.79784 356.6206 12.97000 357.1027 11.84233 357.5848 10.90781 358.0669 10.65924 358.5490 10.63313 359.0312 10.35423 359.5133 9.607559 359.9954 8.787628 360.4775 8.157394 360.9596 7.655426 361.4417 7.118866 361.9239 6.307129 362.4060 5.555191 362.8881 5.120071 363.3702 5.117310 363.8523 5.022125 364.3344 4.596893 364.8166 4.014130 365.2987 3.443283 365.7808 3.107086 366.2629 2.603561 366.7450 1.625244 367.2271 0.1854250 367.7093 0.6999660 368.1914 0.5923310 368.6735 9.3887001E-02 369.1556 0.4173430 369.6377 1.274353 370.1198 1.723434 370.6020 1.526001 371.0841 0.8244930 371.5662 0.3001400 372.0483 7.5638004E-02 372.5304 0.2385560 373.0125 0.1928410 373.4947 3.9992999E-02 373.9768 0.7328640 374.4589 2.738922 374.9410 4.882263 375.4231 5.202560 375.9052 3.022583 376.3874 0.9310300 376.8695 0.2992100 377.3516 0.6944890 377.8337 0.8881530 378.3158 0.8566590 378.7979 0.6891170 379.2801 0.4124150 379.7622 1.2146000E-02 380.2443 0.2438050 380.7264 0.2541960 381.2085 0.1310120 381.6906 0.1845090 382.1728 0.4153750 382.6549 0.6731410 383.1370 0.8115230 383.6191 0.8774720 384.1012 1.053482 384.5833 1.351044 385.0655 1.772903 385.5476 2.413177 386.0297 3.206711 386.5118 3.892792 386.9939 4.271088 387.4760 4.504684 387.9582 4.758438 388.4403 5.038788 388.9224 5.533356 389.4045 6.718430 389.8866 8.128693 390.3687 9.094070 390.8509 9.090836 391.3330 8.896729 391.8151 8.971649 392.2972 9.300476 392.7793 9.812317 393.2614 10.50539 393.7436 11.34297 394.2257 12.38556 394.7078 13.83632 395.1899 14.99118 395.6720 15.33623 396.1541 15.26619 396.6363 15.41209 397.1184 15.88013 397.6005 16.62791 398.0826 17.73946 398.5647 19.27306 399.0468 20.67380 399.5290 21.84265 400.0111 22.88499 400.4932 23.87473 400.9753 24.55862 401.4574 25.55023 401.9395 27.05101 402.4217 28.93117 402.9038 30.52811 403.3859 31.65855 403.8680 32.79706 404.3501 34.21451 404.8322 36.09882 405.3144 37.50641 405.7965 38.23131 406.2786 38.75125 406.7607 39.86807 407.2428 41.68649 407.7249 43.47409 408.2071 44.92677 408.6892 46.10535 409.1713 47.36623 409.6534 48.73740 410.1355 50.09860 410.6176 51.30170 411.0998 52.38615 411.5819 53.59779 412.0640 55.09656 412.5461 56.55490 413.0282 57.43129 413.5103 57.77856 413.9925 57.94270 414.4746 58.11725 414.9567 58.24597 415.4388 58.25815 415.9209 58.15521 416.4030 57.87924 416.8852 57.34030 417.3673 56.59784 417.8494 55.74959 418.3315 54.74364 418.8136 53.71709 419.2957 52.80203 419.7779 51.97830 420.2600 51.01045 420.7421 49.76775 421.2242 48.39006 421.7063 47.01408 422.1884 45.69051 422.6706 44.26970 423.1527 42.61462 423.6348 40.84207 424.1169 39.15601 424.5990 37.50159 425.0811 35.93073 425.5633 34.54701 426.0454 33.47034 426.5275 32.20361 427.0096 30.41837 427.4917 28.67970 427.9738 27.46518 428.4560 27.09964 428.9381 26.47871 429.4202 25.38255 429.9023 23.97754 430.3844 22.80933 430.8665 21.96857 431.3487 21.18224 431.8308 20.39029 432.3129 19.62202 432.7950 18.56839 433.2771 17.08507 433.7592 15.61543 434.2414 14.83429 434.7235 14.66679 435.2056 14.35838 435.6877 13.64722 436.1698 12.68965 436.6519 11.73154 437.1341 10.78529 437.6162 9.929855 438.0983 9.213150 438.5804 8.589920 439.0625 7.992599 439.5446 7.410568 440.0268 6.908203 440.5089 6.541489 440.9910 6.282928 441.4731 6.088943 441.9552 6.151459 442.4373 6.111832 442.9195 5.593124 443.4016 4.607651 443.8837 3.859894 444.3658 3.871750 444.8479 4.091370 445.3300 4.081909 445.8122 3.439392 446.2943 2.972092 446.7764 2.958908 447.2585 3.223633 447.7406 3.307968 448.2227 2.887802 448.7049 2.574585 449.1870 2.661057 449.6691 3.308899 450.1512 3.354355 450.6333 2.486694 451.1154 1.361938 451.5976 0.5493160 452.0797 3.8681000E-02 452.5618 4.3853998E-02 453.0439 0.5063480 453.5260 1.406403 454.0081 1.767502 454.4903 1.527954 454.9724 1.163284 455.4545 0.9203030 455.9366 0.7813110 456.4187 0.5646820 456.9008 0.2347870 457.3830 9.3230000E-03 457.8651 0.1756290 458.3472 0.6583100 458.8293 1.016525 459.3114 1.132477 459.7935 1.033752 460.2757 0.5950010 460.7578 9.7290002E-02 461.2399 0.6069640 461.7220 0.3901210 462.2041 1.4236000E-02 462.6862 6.2469002E-02 463.1684 0.7013240 463.6505 1.375061 464.1326 1.935211 464.6147 2.313278 465.0968 2.425201 465.5789 1.968323 466.0611 1.512222 466.5432 1.195724 467.0253 1.018784 467.5074 0.9313510 467.9895 0.9892730 468.4716 1.083282 468.9538 1.180756 469.4359 1.377457 469.9180 1.352707 470.4001 0.9543910 470.8822 0.4432530 471.3643 0.2571720 471.8465 0.5694270 472.3286 0.7060700 472.8107 0.4483800 473.2928 0.1268920 473.7749 0.6680910 474.2570 1.203262 474.7392 1.529922 475.2213 1.413071 475.7034 0.9140010 476.1855 0.3672330 476.6676 0.2740630 477.1497 0.6709750 477.6319 0.1038670 478.1140 1.146072 478.5961 2.150574 479.0782 2.199661 479.5603 1.983612 480.0424 2.385086 480.5246 3.330078 481.0067 4.199478 481.4888 4.409775 481.9709 4.476868 482.4530 4.935623 482.9352 6.162735 483.4173 7.091385 483.8994 6.943542 484.3815 6.307800 484.8636 6.082855 485.3457 6.968918 485.8279 7.772308 486.3100 8.088776 486.7921 7.914291 487.2742 7.982803 487.7563 8.413620 488.2384 8.975510 488.7206 9.561600 489.2027 10.22861 489.6848 10.74707 490.1669 11.01720 490.6490 11.24808 491.1311 11.90622 491.6133 13.10109 492.0954 13.90627 492.5775 13.89230 493.0596 13.30537 493.5417 13.01167 494.0238 13.00844 494.5060 13.25763 494.9881 13.94931 495.4702 14.85410 495.9523 15.39157 496.4344 15.43855 496.9165 15.30093 497.3987 15.16350 497.8808 15.07027 498.3629 15.10867 498.8450 15.57465 499.3271 15.96773 499.8092 15.90147 500.2914 15.44460 500.7735 14.98386 501.2556 14.72141 501.7377 14.46130 502.2198 14.05109 502.7019 13.32520 503.1841 12.83862 503.6662 12.90089 504.1483 13.14053 504.6304 13.11476 505.1125 12.57579 505.5946 12.19383 506.0768 12.21945 506.5589 12.49388 507.0410 12.13171 507.5231 10.89377 508.0052 9.686371 508.4873 8.955414 508.9695 8.711746 509.4516 8.720505 509.9337 9.031021 510.4158 9.366257 510.8979 9.313202 511.3800 8.976746 511.8622 8.881042 512.3443 9.287277 512.8264 9.817734 513.3085 9.933273 513.7906 9.731522 514.2728 9.560349 514.7549 9.727600 515.2370 9.938065 515.7191 9.889435 516.2012 9.542267 516.6833 9.287888 517.1655 9.315445 517.6476 9.513046 518.1297 9.787064 518.6118 10.23889 519.0939 10.60023 519.5760 10.90437 520.0582 11.10970 520.5403 11.10475 521.0224 10.60434 521.5045 10.24541 521.9866 10.26149 522.4688 10.65779 522.9509 10.89920 523.4330 11.00734 523.9151 10.99921 524.3972 10.78383 524.8793 10.34435 525.3615 10.18407 525.8436 10.36040 526.3257 10.75925 526.8078 11.36154 527.2899 12.08589 527.7720 12.55920 528.2542 12.54785 528.7363 12.28581 529.2184 12.03682 529.7005 11.78865 530.1826 11.52168 530.6647 11.17737 531.1469 10.85558 531.6290 10.57088 532.1111 10.27415 532.5932 10.30688 533.0753 11.08810 533.5574 12.14799 534.0396 12.98645 534.5217 13.52246 535.0038 13.82648 535.4859 13.80145 535.9680 13.55948 536.4501 13.46693 536.9323 13.53606 537.4144 13.73456 537.8965 14.05188 538.3786 14.48494 538.8607 15.12039 539.3428 16.06999 539.8250 16.85298 540.3071 16.72653 540.7892 15.83948 541.2713 15.76418 541.7534 16.95207 542.2355 18.42137 542.7177 18.62929 543.1998 17.93860 543.6819 17.50119 544.1640 18.01910 544.6461 18.91560 545.1282 19.92012 545.6104 20.93991 546.0925 21.44493 546.5746 20.33569 547.0567 19.19557 547.5388 19.23116 548.0209 21.05005 548.5031 22.55626 548.9852 23.23959 549.4673 23.44160 549.9494 23.51147 550.4315 23.29034 550.9136 23.20177 551.3958 23.31924 551.8779 23.58873 552.3600 23.88123 552.8421 24.23811 553.3242 24.46645 553.8063 24.40251 554.2885 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