#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:37:05 +0300 (Thu, 26 Apr 2018) $ #$Revision: 509 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000061.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_1000061 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 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 R060479.rod _rod_data_source.block 3500000 _rod_database.code 1000061 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 132.5834 0.0000000E+00 133.0656 1.845963 133.5477 2.838531 134.0298 1.698593 134.5119 3.6896002E-02 134.9940 0.5372310 135.4761 0.3335110 135.9583 4.8308998E-02 136.4404 0.3461610 136.9225 0.7090910 137.4046 0.7126620 137.8867 0.7195280 138.3688 1.296799 138.8510 2.768127 139.3331 4.849136 139.8152 6.608170 140.2973 7.907242 140.7794 9.177307 141.2615 10.46947 141.7437 11.82196 142.2258 13.46863 142.7079 15.56467 143.1900 18.03391 143.6721 20.63789 144.1542 23.37874 144.6364 26.23911 145.1185 29.30435 145.6006 32.63681 146.0827 35.77255 146.5648 38.46332 147.0469 40.84299 147.5291 42.95142 148.0112 44.68071 148.4933 46.27124 148.9754 48.28737 149.4575 50.97025 149.9396 53.71765 150.4218 56.47882 150.9039 59.15997 151.3860 61.60034 151.8681 63.68091 152.3502 65.46011 152.8323 67.33496 153.3145 69.30457 153.7966 71.38905 154.2787 73.65921 154.7608 76.05777 155.2429 78.47601 155.7250 80.82312 156.2072 83.06967 156.6893 85.61169 157.1714 88.66862 157.6535 91.76305 158.1356 94.83237 158.6177 97.80165 159.0999 100.5143 159.5820 102.7852 160.0641 104.5299 160.5462 106.3768 161.0283 108.2992 161.5104 110.3226 161.9926 112.6599 162.4747 115.3204 162.9568 117.7270 163.4389 119.2537 163.9210 119.9281 164.4031 119.9581 164.8853 119.3150 165.3674 118.0580 165.8495 116.2437 166.3316 113.8201 166.8137 110.9633 167.2958 107.7897 167.7780 104.3408 168.2601 100.6702 168.7422 96.64737 169.2243 92.37935 169.7064 88.38824 170.1885 84.85384 170.6707 81.46910 171.1528 77.98688 171.6349 74.44150 172.1170 70.96277 172.5991 67.55797 173.0812 64.21019 173.5634 61.30630 174.0455 59.27289 174.5276 57.38020 175.0097 55.28232 175.4918 53.00862 175.9739 50.84894 176.4561 49.21600 176.9382 48.34857 177.4203 47.14308 177.9024 45.22435 178.3845 43.29919 178.8666 41.67825 179.3488 40.44157 179.8309 39.52905 180.3130 38.89511 180.7951 38.62321 181.2772 38.49437 181.7593 38.70502 182.2415 38.91699 182.7236 38.90936 183.2057 38.62244 183.6878 38.09402 184.1699 37.33817 184.6520 35.99817 185.1342 35.20468 185.6163 35.35298 186.0984 35.90492 186.5805 36.31674 187.0626 36.42949 187.5447 36.37350 188.0269 36.39772 188.5090 36.60774 188.9911 36.50452 189.4732 35.51459 189.9553 34.20602 190.4374 33.50920 190.9196 34.05573 191.4017 35.10544 191.8838 35.55467 192.3659 35.36505 192.8480 35.22668 193.3301 35.54129 193.8123 36.17340 194.2944 36.67319 194.7765 36.88281 195.2586 36.96365 195.7407 37.13062 196.2228 37.41095 196.7050 37.61110 197.1871 37.56050 197.6692 37.27968 198.1513 37.10635 198.6334 37.20683 199.1155 37.38557 199.5977 37.44897 200.0798 37.40279 200.5619 37.50261 201.0440 37.96481 201.5261 38.78384 202.0082 39.81418 202.4904 41.46161 202.9725 43.02461 203.4546 44.11090 203.9367 44.68973 204.4188 45.02988 204.9009 45.40451 205.3831 45.74826 205.8652 46.38480 206.3473 47.46672 206.8294 48.63293 207.3115 49.72745 207.7936 50.73555 208.2758 51.71138 208.7579 52.63214 209.2400 53.37189 209.7221 54.30653 210.2042 55.82320 210.6863 57.25591 211.1685 57.96536 211.6506 57.90701 212.1327 57.71265 212.6148 58.33850 213.0969 60.43237 213.5790 62.00462 214.0612 62.66927 214.5433 63.08963 215.0254 63.64163 215.5075 64.45187 215.9896 65.69553 216.4717 67.70154 216.9539 71.08185 217.4360 73.75275 217.9181 75.23228 218.4002 76.21460 218.8823 77.34152 219.3644 78.76529 219.8466 80.33861 220.3287 81.82504 220.8108 83.15689 221.2929 84.82722 221.7750 87.18390 222.2571 89.81009 222.7393 92.23227 223.2214 94.35895 223.7035 96.22791 224.1856 97.76018 224.6677 98.98273 225.1498 100.2314 225.6320 101.6514 226.1141 103.1360 226.5962 104.5548 227.0783 105.9357 227.5604 107.1044 228.0425 107.8252 228.5247 108.1801 229.0068 108.4083 229.4889 108.6591 229.9710 108.8411 230.4531 108.7166 230.9352 108.1807 231.4174 107.4998 231.8995 107.1286 232.3816 106.8477 232.8637 105.9742 233.3458 104.0255 233.8279 101.2153 234.3101 98.16367 234.7922 94.85718 235.2743 91.37715 235.7564 87.77829 236.2385 84.07867 236.7206 80.27588 237.2028 76.38969 237.6849 72.42319 238.1670 68.25589 238.6491 63.56345 239.1312 59.18546 239.6133 55.47496 240.0955 52.24173 240.5776 49.09689 241.0597 45.80499 241.5418 42.43526 242.0239 39.43094 242.5060 37.08183 242.9882 34.70334 243.4703 31.85255 243.9524 28.88205 244.4345 26.32150 244.9166 24.52072 245.3987 23.31096 245.8809 21.94777 246.3630 20.36250 246.8451 18.68910 247.3272 16.67258 247.8093 14.66187 248.2914 13.24007 248.7736 12.77681 249.2557 12.90317 249.7378 12.09227 250.2199 8.970535 250.7020 6.591782 251.1841 6.032806 251.6663 6.201523 252.1484 5.687881 252.6305 3.788132 253.1126 1.084473 253.5947 0.6311040 254.0768 0.3498230 254.5590 0.1747440 255.0411 0.1814420 255.5232 0.3797150 256.0053 0.8103790 256.4874 1.486771 256.9695 2.318756 257.4517 3.086029 257.9338 3.975830 258.4159 4.548767 258.8980 4.642670 259.3801 4.490631 259.8622 4.321457 260.3444 4.216156 260.8265 4.139465 261.3086 4.023941 261.7907 3.841187 262.2728 3.665131 262.7549 3.680389 263.2371 3.615906 263.7192 3.078430 264.2013 1.982010 264.6834 0.7687680 265.1655 0.1225890 265.6476 0.3958740 266.1298 0.4117430 266.6119 0.2385100 267.0940 0.2508700 267.5761 1.381409 268.0582 3.182800 268.5403 4.993835 269.0225 5.965958 269.5046 5.807587 269.9867 6.134598 270.4688 7.254776 270.9509 8.706299 271.4330 10.12965 271.9152 11.47400 272.3973 12.83212 272.8794 14.27963 273.3615 15.83174 273.8436 17.45628 274.3257 19.32494 274.8079 21.18178 275.2900 22.65903 275.7721 23.76477 276.2542 24.99077 276.7363 26.82066 277.2184 29.16833 277.7006 31.15614 278.1827 32.50902 278.6648 33.70355 279.1469 35.03047 279.6290 36.48871 280.1111 37.98990 280.5933 39.47366 281.0754 40.96878 281.5575 42.58965 282.0396 44.74585 282.5217 46.53760 283.0038 47.24178 283.4860 47.01918 283.9681 46.74832 284.4502 46.91179 284.9323 47.17616 285.4144 46.85252 285.8965 45.75249 286.3787 44.56062 286.8608 43.75436 287.3429 43.19305 287.8250 42.32510 288.3071 40.90640 288.7892 39.17857 289.2714 37.48598 289.7535 35.83568 290.2356 34.19505 290.7177 32.58650 291.1998 30.97597 291.6819 29.20593 292.1641 27.14899 292.6462 25.10468 293.1283 23.39365 293.6104 21.98314 294.0925 20.71416 294.5746 19.63326 295.0568 18.64319 295.5389 17.48128 296.0210 16.01958 296.5031 14.68283 296.9852 13.97676 297.4673 13.70692 297.9495 13.36574 298.4316 12.80547 298.9137 12.08134 299.3958 11.18983 299.8779 10.06485 300.3600 9.097015 300.8422 8.751968 301.3243 8.723129 301.8064 8.479126 302.2885 7.624603 302.7706 6.738953 303.2527 6.688309 303.7349 7.555923 304.2170 8.173492 304.6991 7.695938 305.1812 6.784607 305.6633 6.338989 306.1454 6.553070 306.6276 7.065765 307.1097 7.679459 307.5918 8.379700 308.0739 8.896957 308.5560 9.088120 309.0381 9.056473 309.5203 8.917328 310.0024 8.672256 310.4845 8.510773 310.9666 8.483948 311.4487 8.543961 311.9308 8.812653 312.4130 9.408859 312.8951 10.13638 313.3772 10.85445 313.8593 11.52223 314.3414 11.99464 314.8235 12.14545 315.3057 12.14039 315.7878 12.23304 316.2699 12.38786 316.7520 12.70130 317.2341 13.55157 317.7162 14.62547 318.1984 15.19218 318.6805 14.67914 319.1626 13.68565 319.6447 13.21688 320.1268 13.40144 320.6089 13.44414 321.0911 12.81169 321.5732 11.80724 322.0553 10.78655 322.5374 9.740646 323.0195 8.795837 323.5016 8.142548 323.9838 7.789848 324.4659 7.368973 324.9480 6.685623 325.4301 5.910912 325.9122 5.246925 326.3943 4.700493 326.8765 4.255371 327.3586 3.951805 327.8407 3.754257 328.3228 3.478203 328.8049 3.031418 329.2870 2.565300 329.7692 2.299332 330.2513 2.210678 330.7334 1.988541 331.2155 1.286232 331.6976 0.3624190 332.1797 0.1714400 332.6619 0.2086720 333.1440 2.5169000E-02 333.6261 0.5474620 334.1082 1.217606 334.5903 1.675659 335.0724 1.595421 335.5546 1.353149 336.0367 1.482292 336.5188 2.021362 337.0009 2.554199 337.4830 2.832741 337.9651 2.947884 338.4473 3.078537 338.9294 3.262924 339.4115 3.435585 339.8936 3.454430 340.3757 3.362610 340.8578 3.538345 341.3400 4.288322 341.8221 5.202805 342.3042 5.658485 342.7863 5.608055 343.2684 5.422188 343.7505 5.142570 344.2327 4.865227 344.7148 4.878830 345.1969 5.327087 345.6790 5.853058 346.1611 6.026787 346.6432 5.903038 347.1254 5.727448 347.6075 5.493759 348.0896 5.276276 348.5717 5.231674 349.0538 5.380432 349.5359 5.445671 350.0181 5.096771 350.5002 4.482178 350.9823 4.259163 351.4644 4.760956 351.9465 5.412788 352.4286 6.035133 352.9108 6.548561 353.3929 6.491272 353.8750 5.430000 354.3571 3.864738 354.8392 3.066071 355.3214 3.277428 355.8035 3.565948 356.2856 3.601616 356.7677 3.492249 357.2498 3.477020 357.7319 3.650917 358.2141 3.770836 358.6962 3.366096 359.1783 2.269150 359.6604 1.716187 360.1425 2.422020 360.6246 3.375755 361.1068 3.569168 361.5889 2.935669 362.0710 2.141502 362.5531 1.749489 363.0352 1.750641 363.5173 1.534027 363.9995 0.8532710 364.4816 0.2162480 364.9637 0.1576080 365.4458 0.2942120 365.9279 0.2396160 366.4100 1.8723000E-02 366.8922 0.3679500 367.3743 0.4257660 367.8564 0.1709590 368.3385 0.5288090 368.8206 0.3056110 369.3027 0.1176830 369.7849 0.2636340 370.2670 8.8200001E-03 370.7491 0.3583680 371.2312 0.4073180 371.7133 9.6465997E-02 372.1954 0.1819310 372.6776 0.6281810 373.1597 1.424843 373.6418 1.650208 374.1239 1.322098 374.6060 0.7511670 375.0881 0.1492460 375.5703 0.4769740 376.0524 0.9290080 376.5345 1.034546 377.0166 1.169518 377.4987 1.438354 377.9808 1.784279 378.4630 2.132957 378.9451 2.450745 379.4272 2.723297 379.9093 2.907867 380.3914 2.905807 380.8735 2.979950 381.3557 3.056114 381.8378 3.259872 382.3199 3.788345 382.8020 4.607170 383.2841 5.401573 383.7662 5.773857 384.2484 5.631264 384.7305 5.712410 385.2126 6.212906 385.6947 6.760422 386.1768 7.215164 386.6589 7.631065 387.1411 8.147873 387.6232 8.872353 388.1053 9.725098 388.5874 10.41313 389.0695 10.83349 389.5516 11.24766 390.0338 11.70626 390.5159 12.20388 390.9980 12.71131 391.4801 13.23037 391.9622 13.82915 392.4443 14.62701 392.9265 15.63676 393.4086 16.58013 393.8907 17.39072 394.3728 18.16737 394.8549 19.04585 395.3370 19.96095 395.8192 20.66339 396.3013 20.69528 396.7834 20.41119 397.2655 21.11069 397.7476 23.16895 398.2297 25.29236 398.7119 26.93729 399.1940 28.20837 399.6761 29.09778 400.1582 29.42332 400.6403 29.72913 401.1224 30.66978 401.6046 32.21800 402.0867 33.61695 402.5688 34.52850 403.0509 35.35536 403.5330 36.58226 404.0151 38.17863 404.4973 39.74238 404.9794 41.24313 405.4615 42.65155 405.9436 43.88015 406.4257 44.92436 406.9078 45.90559 407.3900 46.90497 407.8721 47.96169 408.3542 49.14294 408.8363 50.66324 409.3184 52.13309 409.8005 53.21420 410.2827 53.99883 410.7648 54.86168 411.2469 56.02345 411.7290 57.24636 412.2111 57.92355 412.6932 57.84206 413.1754 57.86623 413.6575 58.29666 414.1396 58.81766 414.6217 59.10454 415.1038 59.10248 415.5859 58.95837 416.0681 58.84491 416.5502 58.79289 417.0323 58.29538 417.5144 57.17682 417.9965 55.90177 418.4786 54.53536 418.9608 53.14663 419.4429 51.86880 419.9250 50.78145 420.4071 49.76003 420.8892 48.45045 421.3713 46.72878 421.8535 44.86164 422.3356 42.73255 422.8177 40.54219 423.2998 38.46019 423.7819 36.51326 424.2640 34.65382 424.7462 32.80611 425.2283 30.93580 425.7104 29.20227 426.1925 27.80428 426.6746 26.39126 427.1567 24.76105 427.6389 23.05846 428.1210 21.54118 428.6031 20.34235 429.0852 19.35713 429.5673 18.40448 430.0494 17.47694 430.5316 16.42579 431.0137 15.02224 431.4958 13.67474 431.9779 12.74365 432.4600 12.23295 432.9421 11.77410 433.4243 11.08485 433.9064 10.19075 434.3885 9.134628 434.8706 7.617310 435.3527 6.645050 435.8348 7.681770 436.3170 9.568596 436.7991 10.26961 437.2812 8.792351 437.7633 6.669281 438.2454 5.205055 438.7275 4.336853 439.2097 3.686119 439.6918 3.174339 440.1739 2.763847 440.6560 2.385391 441.1381 2.021690 441.6202 1.772697 442.1024 1.816559 442.5845 1.906609 443.0666 1.706902 443.5487 1.206055 444.0308 0.7279430 444.5129 0.5382160 444.9951 0.5948490 445.4772 0.4836580 445.9593 1.9840000E-03 446.4414 0.3890910 446.9235 0.4972920 447.4056 0.4272540 447.8878 0.3113860 448.3699 0.1973040 448.8520 0.1013570 449.3341 5.2124001E-02 449.8162 7.2098002E-02 450.2983 7.6468997E-02 450.7805 9.4443999E-02 451.2626 7.2936997E-02 451.7447 0.1132660 452.2268 0.3683010 452.7089 0.4266360 453.1910 7.7904001E-02 453.6732 0.5380630 454.1553 0.8002780 454.6374 0.3902130 455.1195 0.1671070 455.6016 0.3698350 456.0837 0.7241900 456.5659 1.058716 457.0480 1.321533 457.5301 1.447128 458.0122 1.296745 458.4943 0.8777010 458.9764 0.5974730 459.4586 0.4673840 459.9407 0.4913940 460.4228 0.9521260 460.9049 1.506943 461.3870 1.433403 461.8691 0.1110920 462.3513 1.331657 462.8334 1.237709 463.3155 0.3201290 463.7976 1.373245 464.2797 1.105804 464.7618 0.3137590 465.2440 4.8679998E-03 465.7261 0.1477130 466.2082 0.3702770 466.6903 0.6193470 467.1724 0.8180850 467.6545 0.8557590 468.1367 0.7292630 468.6188 0.5292360 469.1009 0.2880170 469.5830 3.0220000E-02 470.0651 0.1237790 470.5472 8.3961003E-02 471.0294 6.8588004E-02 471.5115 0.1548230 471.9936 0.2866130 472.4757 0.4110410 472.9578 0.5091710 473.4399 0.5529560 473.9221 0.4972690 474.4042 0.3131940 474.8863 0.1975100 475.3684 9.8990999E-02 475.8505 0.1110990 476.3326 0.2860340 476.8148 0.5923770 477.2969 1.006554 477.7790 1.519875 478.2611 2.055107 478.7432 2.442444 479.2253 2.654175 479.7075 2.790497 480.1896 2.599915 480.6717 2.554543 481.1538 2.999290 481.6359 3.864357 482.1180 4.790016 482.6002 5.602783 483.0823 6.276978 483.5644 6.663277 484.0465 6.630669 484.5286 6.791679 485.0107 7.570473 485.4929 8.616096 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