#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:33:14 +0300 (Thu, 24 May 2018) $ #$Revision: 717 $ #$URL: svn://172.16.1.111/rod/cif/1/00/02/1000223.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_1000223 loop_ _publ_author_name 'Krivovichev, S. V.' 'Burns, P. C.' _publ_section_title ; The crystal chemistry of uranyl molybdates. II. the crystal structure of iriginite ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 847 _journal_page_last 851 _journal_paper_doi 10.2113/gscanmin.38.4.847 _journal_volume 38 _journal_year 2000 _chemical_compound_source R060269 _chemical_formula_sum 'H6 Mo2 O12 U' _chemical_name_mineral Iriginite _space_group_IT_number 57 _symmetry_space_group_name_Hall '-P 2c 2b' _symmetry_space_group_name_H-M 'P b c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 6.705 _cell_length_b 12.731 _cell_length_c 11.524 _cell_volume 983.704 _exptl_crystal_density_diffrn 4.240 _cod_original_formula_sum 'U Mo2 O12 H6' _cod_database_code 9004598 _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 R060269.rod _rod_data_source.block 3500000 _rod_database.code 1000223 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 9004598 COD http://www.crystallography.net/cod/9004598.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 160.8812 0.0000000E+00 161.3633 5.0597999E-02 161.8455 7.214783 162.3276 20.50458 162.8097 39.15601 163.2918 59.14032 163.7739 77.66449 164.2560 95.20813 164.7382 112.5815 165.2203 129.6732 165.7024 144.7358 166.1845 162.0640 166.6666 178.1868 167.1487 190.0901 167.6309 194.8684 168.1130 194.6833 168.5951 193.9322 169.0772 197.1328 169.5593 199.7748 170.0414 200.7932 170.5236 194.5187 171.0057 184.1353 171.4878 172.6266 171.9699 160.6279 172.4520 146.0711 172.9341 131.5571 173.4163 117.5059 173.8984 103.8270 174.3805 90.35309 174.8626 77.34943 175.3447 64.67371 175.8268 52.33948 176.3090 40.42944 176.7911 28.23340 177.2732 16.68274 177.7553 7.398193 178.2374 0.8168950 178.7195 3.459106 179.2017 5.365051 179.6838 5.094971 180.1659 4.205627 180.6480 3.589111 181.1301 3.261353 181.6122 3.344910 182.0944 4.515320 182.5765 5.653015 183.0586 4.582581 183.5407 1.350647 184.0228 2.518433 184.5049 5.593872 184.9871 8.141968 185.4692 11.00311 185.9513 14.56683 186.4334 18.57947 186.9155 22.66364 187.3976 26.82288 187.8798 30.81421 188.3619 34.02515 188.8440 36.68011 189.3261 40.03503 189.8082 45.00244 190.2903 50.99512 190.7725 55.62396 191.2546 58.64819 191.7367 61.85950 192.2188 67.76666 192.7009 76.27209 193.1830 84.65045 193.6652 91.63684 194.1473 97.58093 194.6294 104.3481 195.1115 112.0506 195.5936 120.1859 196.0757 128.1488 196.5579 135.9360 197.0400 143.7170 197.5221 152.2108 198.0042 161.2038 198.4863 167.4479 198.9684 170.4785 199.4506 171.7184 199.9327 173.7525 200.4148 176.9433 200.8969 177.8699 201.3790 174.7921 201.8611 167.6149 202.3433 159.2482 202.8254 149.2856 203.3075 138.7097 203.7896 129.4057 204.2717 121.5045 204.7538 113.8483 205.2360 106.0433 205.7181 98.10358 206.2002 89.68890 206.6823 80.49115 207.1644 71.18256 207.6465 62.70447 208.1287 54.86725 208.6108 48.79401 209.0929 45.64728 209.5750 46.25934 210.0571 45.27667 210.5392 42.41254 211.0214 38.23053 211.5035 33.53766 211.9856 27.90271 212.4677 23.11469 212.9498 20.09839 213.4319 19.21735 213.9140 18.64935 214.3962 18.19781 214.8783 18.15546 215.3604 19.40161 215.8425 22.52637 216.3246 25.62170 216.8067 28.05481 217.2889 29.18359 217.7710 30.85364 218.2531 33.63177 218.7352 35.95850 219.2173 36.95282 219.6994 35.56445 220.1816 34.76068 220.6637 36.17041 221.1458 41.04150 221.6279 44.49304 222.1100 45.91437 222.5921 46.08508 223.0743 46.87970 223.5564 48.06281 224.0385 50.31702 224.5206 54.09955 225.0027 60.16010 225.4848 65.86102 225.9670 70.87177 226.4491 75.56134 226.9312 80.95245 227.4133 86.99591 227.8954 93.75787 228.3775 101.1174 228.8597 109.1428 229.3418 117.8398 229.8239 127.1224 230.3060 137.0968 230.7881 147.7345 231.2702 159.0337 231.7524 171.1659 232.2345 184.2393 232.7166 199.3257 233.1987 213.2425 233.6808 225.5877 234.1629 236.8031 234.6451 248.1346 235.1272 258.9073 235.6093 270.7230 236.0914 284.7883 236.5735 303.6821 237.0556 318.4062 237.5378 327.6608 238.0199 333.3858 238.5020 340.2867 238.9841 349.0297 239.4662 358.0635 239.9483 367.0502 240.4305 377.1371 240.9126 384.2400 241.3947 387.1764 241.8768 387.5474 242.3589 389.4629 242.8410 393.8291 243.3232 398.2888 243.8053 401.8619 244.2874 404.3976 244.7695 406.3646 245.2516 407.7190 245.7337 408.5306 246.2159 409.2076 246.6980 410.9917 247.1801 410.6981 247.6622 406.8663 248.1443 398.3556 248.6264 389.5064 249.1086 380.5001 249.5907 371.0326 250.0728 360.3756 250.5549 348.0024 251.0370 335.3129 251.5191 322.6289 252.0013 309.8055 252.4834 297.8210 252.9655 287.0289 253.4476 276.9453 253.9297 266.6404 254.4118 255.6760 254.8940 245.4932 255.3761 236.8740 255.8582 230.3969 256.3403 222.9936 256.8224 214.4859 257.3046 205.1990 257.7867 195.6959 258.2688 185.4407 258.7509 175.9736 259.2330 168.1006 259.7151 162.1216 260.1973 155.7889 260.6794 149.3458 261.1615 142.4792 261.6436 134.8146 262.1257 125.9968 262.6078 117.0975 263.0900 108.5511 263.5721 100.3264 264.0542 91.85822 264.5363 82.72107 265.0184 73.72412 265.5005 65.59650 265.9827 58.52264 266.4648 51.93781 266.9469 45.60254 267.4290 39.49475 267.9111 34.76660 268.3932 31.97729 268.8754 29.76050 269.3575 26.66345 269.8396 22.58472 270.3217 17.79565 270.8038 11.88232 271.2859 4.947205 271.7681 0.1339110 272.2502 2.159729 272.7323 3.145813 273.2144 3.786072 273.6965 3.955383 274.1786 4.472412 274.6608 5.787964 275.1429 7.668030 275.6250 8.378723 276.1071 7.710388 276.5892 6.473694 277.0714 5.349670 277.5535 4.343994 278.0356 3.381592 278.5177 2.616699 278.9998 1.836853 279.4819 0.1104130 279.9641 2.690247 280.4462 6.000122 280.9283 9.616699 281.4104 13.54211 281.8925 16.87061 282.3746 19.08344 282.8568 20.90143 283.3389 24.81665 283.8210 31.12201 284.3031 37.22235 284.7852 40.45233 285.2673 41.04657 285.7495 44.17090 286.2316 51.13831 286.7137 59.91479 287.1958 65.99054 287.6779 69.26617 288.1600 72.57574 288.6422 77.86694 289.1243 84.98157 289.6064 92.05994 290.0885 99.18073 290.5706 105.6838 291.0527 110.0139 291.5349 112.3511 292.0170 114.8144 292.4991 118.1671 292.9812 122.4452 293.4633 128.1938 293.9454 135.7798 294.4276 143.4872 294.9097 148.4195 295.3918 151.1615 295.8739 154.5580 296.3560 161.1096 296.8381 169.0784 297.3203 173.7891 297.8024 175.0677 298.2845 175.7216 298.7666 178.8699 299.2487 183.8158 299.7308 188.5149 300.2130 192.5106 300.6951 195.6050 301.1772 197.3574 301.6593 197.7769 302.1414 197.4953 302.6235 197.0233 303.1057 196.2590 303.5878 194.9786 304.0699 192.6675 304.5520 190.1523 305.0341 188.7534 305.5162 188.3016 305.9984 187.2507 306.4805 184.0172 306.9626 179.6180 307.4447 175.6381 307.9268 173.1006 308.4089 170.2104 308.8911 165.3736 309.3732 158.7944 309.8553 151.3394 310.3374 142.1755 310.8195 132.9770 311.3016 125.7863 311.7838 121.9218 312.2659 118.2242 312.7480 112.6989 313.2301 105.8409 313.7122 98.75671 314.1943 91.65833 314.6765 84.65906 315.1586 77.74536 315.6407 70.84552 316.1228 64.37512 316.6049 58.92316 317.0870 54.01178 317.5692 48.94043 318.0513 42.51923 318.5334 36.56134 319.0155 32.14929 319.4976 29.50830 319.9797 26.97150 320.4619 23.47815 320.9440 19.94220 321.4261 17.43286 321.9082 17.94183 322.3903 17.79285 322.8724 15.15228 323.3546 9.918518 323.8367 6.157043 324.3188 5.456909 324.8009 6.080200 325.2830 6.708862 325.7651 7.501465 326.2473 7.965271 326.7294 7.811279 327.2115 7.158081 327.6936 6.871765 328.1757 7.629944 328.6578 8.325928 329.1400 8.386475 329.6221 6.335999 330.1042 5.499146 330.5863 6.512390 331.0684 8.858887 331.5505 11.09314 332.0327 13.42145 332.5148 15.46088 332.9969 16.97729 333.4790 17.71442 333.9611 18.39142 334.4432 18.84235 334.9254 19.18689 335.4075 19.91364 335.8896 21.16937 336.3717 22.77954 336.8538 25.07990 337.3359 28.29462 337.8180 29.70850 338.3001 28.75690 338.7823 26.81696 339.2644 25.34308 339.7465 24.37018 340.2286 23.74475 340.7107 23.78400 341.1928 24.21063 341.6750 22.79321 342.1571 19.02234 342.6392 15.19849 343.1213 13.55841 343.6034 14.15527 344.0855 13.96252 344.5677 12.39606 345.0498 9.842041 345.5319 6.950684 346.0140 3.689270 346.4961 1.017090 346.9782 0.1325070 347.4604 0.5512700 347.9425 0.2529300 348.4246 2.804626 348.9067 5.746887 349.3888 7.350830 349.8709 7.681763 350.3531 7.125793 350.8352 5.059143 351.3173 2.411804 351.7994 1.126343 352.2815 1.348022 352.7636 1.987854 353.2458 2.598511 353.7279 2.847412 354.2100 1.972961 354.6921 1.798828 355.1742 5.802856 355.6563 6.297913 356.1385 3.680298 356.6206 2.146545 357.1027 6.066345 357.5848 12.12653 358.0669 16.35461 358.5490 16.63025 359.0312 16.41174 359.5133 17.92694 359.9954 20.74219 360.4775 23.52490 360.9596 25.79688 361.4417 27.70178 361.9239 29.20081 362.4060 29.96832 362.8881 31.26758 363.3702 34.53381 363.8523 38.44690 364.3344 40.98419 364.8166 39.80884 365.2987 38.74622 365.7808 39.63483 366.2629 42.90094 366.7450 45.21625 367.2271 45.16034 367.7093 44.38812 368.1914 44.35498 368.6735 45.93988 369.1556 47.46149 369.6377 48.93280 370.1198 50.29041 370.6020 50.72754 371.0841 48.87347 371.5662 47.37103 372.0483 47.78156 372.5304 51.77887 373.0125 54.50708 373.4947 55.43665 373.9768 55.17169 374.4589 54.97522 374.9410 54.48254 375.4231 54.84674 375.9052 57.10828 376.3874 61.84564 376.8695 63.64337 377.3516 61.66418 377.8337 58.18420 378.3158 56.10669 378.7979 55.67017 379.2801 54.80548 379.7622 52.95251 380.2443 50.22845 380.7264 46.83240 381.2085 42.67188 381.6906 38.58569 382.1728 35.57477 382.6549 33.39935 383.1370 30.57690 383.6191 26.67133 384.1012 22.26910 384.5833 18.12433 385.0655 14.23871 385.5476 10.65289 386.0297 7.237671 386.5118 4.119019 386.9939 1.397827 387.4760 0.9200440 387.9582 2.681519 388.4403 3.234070 388.9224 3.141296 389.4045 3.548035 389.8866 5.933533 390.3687 8.336975 390.8509 9.127625 391.3330 8.350952 391.8151 6.650757 392.2972 2.827148 392.7793 1.002747 393.2614 2.649475 393.7436 0.2137450 394.2257 2.849365 394.7078 3.181335 395.1899 1.748657 395.6720 3.3813000E-02 396.1541 2.374023 396.6363 4.451538 397.1184 5.636658 397.6005 5.269104 398.0826 5.917419 398.5647 9.296997 399.0468 13.44904 399.5290 15.99847 400.0111 14.58899 400.4932 13.93506 400.9753 14.77893 401.4574 17.12811 401.9395 20.48871 402.4217 25.94641 402.9038 31.28845 403.3859 34.88794 403.8680 35.72534 404.3501 37.20221 404.8322 39.82056 405.3144 43.19086 405.7965 45.89984 406.2786 47.68744 406.7607 49.22302 407.2428 50.95959 407.7249 53.00336 408.2071 54.82568 408.6892 56.58142 409.1713 58.10901 409.6534 58.55542 410.1355 57.93640 410.6176 58.56232 411.0998 61.86322 411.5819 66.40485 412.0640 68.58490 412.5461 68.61145 413.0282 68.09338 413.5103 67.91852 413.9925 68.23242 414.4746 69.68604 414.9567 72.91016 415.4388 75.74677 415.9209 75.38824 416.4030 72.85553 416.8852 70.66565 417.3673 70.44843 417.8494 70.89099 418.3315 71.04358 418.8136 70.85138 419.2957 70.25891 419.7779 68.98291 420.2600 67.40094 420.7421 65.91730 421.2242 64.63074 421.7063 63.46771 422.1884 62.84723 422.6706 62.44409 423.1527 60.98248 423.6348 56.76013 424.1169 52.58081 424.5990 49.84363 425.0811 49.69733 425.5633 48.65607 426.0454 46.17426 426.5275 42.93854 427.0096 39.78314 427.4917 37.09442 427.9738 33.90118 428.4560 29.71063 428.9381 24.56897 429.4202 20.50641 429.9023 17.88739 430.3844 15.75085 430.8665 13.30823 431.3487 10.35040 431.8308 8.421326 432.3129 7.866150 432.7950 8.107544 433.2771 7.882996 433.7592 7.157288 434.2414 6.845154 434.7235 7.514282 435.2056 8.955750 435.6877 10.29761 436.1698 11.50635 436.6519 12.91351 437.1341 15.10260 437.6162 17.74347 438.0983 20.04144 438.5804 21.81757 439.0625 23.11517 439.5446 23.31793 440.0268 22.89386 440.5089 23.54449 440.9910 26.63324 441.4731 31.03009 441.9552 36.19794 442.4373 42.32214 442.9195 47.50861 443.4016 49.98450 443.8837 51.23712 444.3658 53.07458 444.8479 56.26392 445.3300 59.86896 445.8122 63.45477 446.2943 67.10712 446.7764 71.56256 447.2585 77.29865 447.7406 83.41217 448.2227 89.60449 448.7049 96.38593 449.1870 102.5490 449.6691 108.1790 450.1512 113.3008 450.6333 117.4136 451.1154 119.7802 451.5976 122.5454 452.0797 126.3235 452.5618 131.0863 453.0439 135.5215 453.5260 139.5328 454.0081 143.1768 454.4903 146.3670 454.9724 149.0892 455.4545 152.0197 455.9366 155.2711 456.4187 158.6499 456.9008 161.5359 457.3830 164.0806 457.8651 167.1541 458.3472 172.0355 458.8293 177.4904 459.3114 181.2493 459.7935 183.2792 460.2757 184.7466 460.7578 186.9922 461.2399 189.1075 461.7220 189.6542 462.2041 187.3449 462.6862 184.9473 463.1684 184.8967 463.6505 186.1365 464.1326 186.2347 464.6147 183.3735 465.0968 179.8047 465.5789 176.9524 466.0611 175.1359 466.5432 172.1307 467.0253 165.9655 467.5074 159.2800 467.9895 154.3104 468.4716 152.4521 468.9538 150.5535 469.4359 148.3003 469.9180 145.9197 470.4001 143.8989 470.8822 141.5009 471.3643 140.8445 471.8465 143.2877 472.3286 149.2336 472.8107 154.0350 473.2928 157.4265 473.7749 160.2495 474.2570 163.1550 474.7392 166.1635 475.2213 169.7742 475.7034 174.0362 476.1855 179.0027 476.6676 184.8405 477.1497 191.5906 477.6319 199.2303 478.1140 209.1010 478.5961 219.3729 479.0782 226.5724 479.5603 230.2810 480.0424 233.9496 480.5246 240.0226 481.0067 247.9518 481.4888 257.0446 481.9709 268.5859 482.4530 279.3734 482.9352 287.2576 483.4173 293.0438 483.8994 299.1813 484.3815 307.7227 484.8636 315.7162 485.3457 321.7320 485.8279 325.4476 486.3100 328.2747 486.7921 331.4944 487.2742 333.1611 487.7563 331.3782 488.2384 323.8621 488.7206 316.9449 489.2027 312.1050 489.6848 308.2603 490.1669 301.5664 490.6490 291.7508 491.1311 280.1617 491.6133 266.5362 492.0954 250.9182 492.5775 239.2031 493.0596 232.2281 493.5417 225.5957 494.0238 214.0394 494.5060 198.4902 494.9881 183.3898 495.4702 169.9382 495.9523 157.9587 496.4344 147.2379 496.9165 137.3334 497.3987 127.7618 497.8808 117.8597 498.3629 108.9911 498.8450 102.4061 499.3271 97.99084 499.8092 93.87268 500.2914 88.89734 500.7735 83.59198 501.2556 78.57361 501.7377 74.71216 502.2198 70.95911 502.7019 66.30981 503.1841 61.01453 503.6662 56.47351 504.1483 52.90558 504.6304 50.33392 505.1125 49.09399 505.5946 49.27173 506.0768 48.39240 506.5589 45.92694 507.0410 43.47443 507.5231 42.57916 508.0052 43.58051 508.4873 43.07458 508.9695 40.36163 509.4516 36.59381 509.9337 33.74133 510.4158 31.84113 510.8979 30.51282 511.3800 29.83325 511.8622 29.51630 512.3443 28.94263 512.8264 28.12170 513.3085 27.11737 513.7906 25.70416 514.2728 24.42670 514.7549 23.89893 515.2370 24.32904 515.7191 24.46069 516.2012 23.23370 516.6833 21.55139 517.1655 20.47302 517.6476 20.75098 518.1297 20.79590 518.6118 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