#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-04-26 13:36:06 +0300 (Thu, 26 Apr 2018) $ #$Revision: 494 $ #$URL: svn://172.16.1.111/rod/cif/1/00/00/1000049.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_1000049 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 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 R060269.rod _rod_data_source.block 3500000 _rod_database.code 1000049 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 91.53320 0.0000000E+00 92.01532 8.347046 92.49744 14.00531 92.97955 24.26379 93.46167 31.75177 93.94379 34.52441 94.42590 38.52014 94.90802 41.87469 95.39014 40.67334 95.87225 33.46832 96.35437 26.93683 96.83649 25.06989 97.31860 25.68140 97.80072 25.28333 98.28284 22.35443 98.76495 17.53436 99.24707 14.56787 99.72919 15.39838 100.2113 15.57849 100.6934 13.92310 101.1755 10.98260 101.6577 9.383057 102.1398 9.714844 102.6219 9.182190 103.1040 11.99463 103.5861 18.33514 104.0682 22.54712 104.5504 24.59857 105.0325 25.68909 105.5146 24.77905 105.9967 22.03876 106.4788 18.93701 106.9609 16.41223 107.4431 15.11218 107.9252 14.36285 108.4073 12.95227 108.8894 10.42371 109.3715 7.437256 109.8536 5.185303 110.3358 3.733459 110.8179 2.377991 111.3000 0.4505000 111.7821 1.930786 112.2642 3.510071 112.7463 3.025452 113.2285 1.952393 113.7106 1.926941 114.1927 3.496521 114.6748 5.390320 115.1569 5.659485 115.6390 3.525574 116.1212 1.757202 116.6033 1.077698 117.0854 1.138245 117.5675 1.870239 118.0496 3.420166 118.5317 5.357910 119.0139 5.557739 119.4960 1.477478 119.9781 1.734131 120.4602 2.509033 120.9423 1.792908 121.4244 1.311279 121.9066 2.446777 122.3887 5.360901 122.8708 7.595276 123.3529 8.357727 123.8350 9.303894 124.3171 11.34998 124.7993 14.45581 125.2814 17.79865 125.7635 20.51355 126.2456 22.38684 126.7277 24.82666 127.2098 28.35150 127.6920 32.22162 128.1741 35.96057 128.6562 39.59589 129.1383 42.40894 129.6204 43.14496 130.1025 42.07922 130.5847 40.41803 131.0668 37.80237 131.5489 34.78412 132.0310 33.34155 132.5131 34.34076 132.9952 36.74170 133.4774 39.52423 133.9595 42.65924 134.4416 46.13782 134.9237 50.16583 135.4058 54.91016 135.8879 59.20251 136.3701 62.69604 136.8522 65.74725 137.3343 68.33264 137.8164 70.49841 138.2985 72.59869 138.7806 75.24713 139.2628 78.56549 139.7449 82.32300 140.2270 87.23059 140.7091 92.16345 141.1912 95.98053 141.6733 98.15240 142.1555 99.20801 142.6376 100.9278 143.1197 104.0559 143.6018 107.0510 144.0839 109.9322 144.5660 112.5511 145.0482 114.5920 145.5303 115.7707 146.0124 116.2843 146.4945 117.6824 146.9766 120.7875 147.4587 123.7512 147.9409 126.0357 148.4230 127.5918 148.9051 128.2427 149.3872 128.2372 149.8693 127.1197 150.3514 126.8268 150.8336 128.2197 151.3157 129.9306 151.7978 130.6516 152.2799 130.2462 152.7620 129.6421 153.2441 130.1640 153.7263 130.9658 154.2084 130.3829 154.6905 126.5204 155.1726 121.0913 155.6547 118.1045 156.1368 118.8075 156.6190 119.8325 157.1011 119.1778 157.5832 117.4694 158.0653 115.8710 158.5474 115.2770 159.0295 115.5701 159.5117 115.2634 159.9938 113.6652 160.4759 112.1067 160.9580 111.2943 161.4401 111.0191 161.9222 110.5342 162.4044 108.7927 162.8865 105.1491 163.3686 104.0316 163.8507 107.7899 164.3328 111.8427 164.8149 114.4073 165.2971 115.3210 165.7792 115.2794 166.2613 115.1022 166.7434 114.9676 167.2255 113.9655 167.7076 112.0742 168.1898 109.4955 168.6719 105.5386 169.1540 100.2645 169.6361 95.60309 170.1182 94.72809 170.6003 100.1844 171.0825 103.5581 171.5646 103.4783 172.0467 101.3314 172.5288 98.43408 173.0109 95.14612 173.4930 92.11670 173.9752 90.08905 174.4573 88.81146 174.9394 88.55676 175.4215 90.46588 175.9036 93.36389 176.3857 94.30414 176.8679 91.57129 177.3500 88.56714 177.8321 89.41809 178.3142 94.24646 178.7963 99.67865 179.2784 103.8587 179.7606 106.9462 180.2427 109.9226 180.7248 113.4859 181.2069 116.5115 181.6890 117.6514 182.1711 116.7404 182.6533 115.8348 183.1354 117.2491 183.6175 121.3531 184.0996 124.8248 184.5817 125.9518 185.0638 126.7891 185.5460 128.7408 186.0281 132.0743 186.5102 135.6445 186.9923 137.8383 187.4744 138.2856 187.9565 138.2429 188.4387 137.1152 188.9208 136.0709 189.4029 136.0850 189.8850 137.4213 190.3671 139.4487 190.8492 140.9146 191.3314 140.8930 191.8135 141.8668 192.2956 145.2144 192.7777 148.8907 193.2598 150.9147 193.7419 150.5331 194.2241 148.6917 194.7062 147.6672 195.1883 147.7143 195.6704 148.4367 196.1525 150.6160 196.6346 153.2122 197.1168 155.0305 197.5989 155.5479 198.0810 155.0621 198.5631 154.3907 199.0452 154.2813 199.5273 153.0543 200.0095 149.6013 200.4916 144.9673 200.9737 140.9311 201.4558 138.3699 201.9379 136.6624 202.4200 133.9418 202.9022 130.1647 203.3843 125.8257 203.8664 120.3919 204.3485 114.4170 204.8306 109.6226 205.3127 107.1368 205.7949 105.8670 206.2770 103.2581 206.7591 98.55957 207.2412 94.21277 207.7233 92.00421 208.2054 91.58405 208.6876 90.88922 209.1697 89.17389 209.6518 86.65613 210.1339 83.74615 210.6160 80.25110 211.0981 76.93945 211.5803 74.29999 212.0624 72.29755 212.5445 71.00623 213.0266 71.07166 213.5087 71.43555 213.9908 71.17957 214.4730 70.27509 214.9551 69.32440 215.4372 68.60059 215.9193 67.91174 216.4014 67.68683 216.8836 68.64850 217.3657 69.63043 217.8478 69.68768 218.3299 68.65186 218.8120 67.55457 219.2941 67.80884 219.7763 69.83197 220.2584 71.57568 220.7405 73.40491 221.2226 74.37927 221.7047 73.24585 222.1868 69.82910 222.6690 65.92896 223.1511 64.52765 223.6332 66.84906 224.1153 68.95325 224.5974 70.41498 225.0795 71.58429 225.5617 72.49237 226.0438 73.21472 226.5259 74.14825 227.0080 76.06848 227.4901 79.70013 227.9722 83.04114 228.4544 86.11908 228.9365 88.87604 229.4186 91.00391 229.9007 92.50085 230.3828 93.92981 230.8649 96.34113 231.3471 101.2333 231.8292 104.6451 232.3113 105.3976 232.7934 105.4860 233.2755 106.6323 233.7576 109.2772 234.2398 112.5789 234.7219 115.1453 235.2040 116.7781 235.6861 117.8502 236.1682 117.3761 236.6503 116.8737 237.1325 118.2369 237.6146 121.8578 238.0967 125.8381 238.5788 127.2856 239.0609 124.9511 239.5430 122.6686 240.0252 119.8696 240.5073 117.5096 240.9894 116.9993 241.4715 118.6574 241.9536 120.8248 242.4357 121.3865 242.9179 120.1937 243.4000 117.8412 243.8821 113.1484 244.3642 107.8875 244.8463 104.0550 245.3284 102.0601 245.8106 100.9355 246.2927 99.91840 246.7748 99.06763 247.2569 97.11035 247.7390 92.81097 248.2211 87.74268 248.7033 84.10675 249.1854 82.40765 249.6675 80.65707 250.1496 76.26184 250.6317 69.65836 251.1138 64.12039 251.5960 61.16367 252.0781 59.26093 252.5602 56.29535 253.0423 51.94736 253.5244 47.42432 254.0065 43.88785 254.4887 41.05927 254.9708 38.21332 255.4529 35.00732 255.9350 31.76154 256.4171 28.91693 256.8992 26.49002 257.3813 24.45215 257.8635 23.08655 258.3456 22.07736 258.8277 20.87119 259.3098 19.05945 259.7919 17.13068 260.2740 15.80994 260.7562 15.17242 261.2383 14.80838 261.7204 15.17007 262.2025 15.49609 262.6846 14.60101 263.1667 11.57779 263.6489 7.880737 264.1310 5.638000 264.6131 5.153351 265.0952 4.799774 265.5773 4.112183 266.0594 3.092896 266.5416 1.591644 267.0237 0.5632320 267.5058 2.852295 267.9879 4.664124 268.4700 5.988739 268.9521 6.835846 269.4343 7.053253 269.9164 6.850403 270.3985 6.003693 270.8806 4.354248 271.3627 3.090576 271.8448 4.132233 272.3270 8.096924 272.8091 11.18314 273.2912 12.37653 273.7733 12.43539 274.2554 11.35306 274.7375 9.197754 275.2197 6.947083 275.7018 5.842743 276.1839 6.125732 276.6660 6.015106 277.1481 5.027405 277.6302 3.733551 278.1124 2.214417 278.5945 0.5573120 279.0766 0.9253230 279.5587 1.780762 280.0408 1.900055 280.5229 2.421661 281.0051 4.243805 281.4872 5.744873 281.9693 5.937408 282.4514 5.100952 282.9335 4.296906 283.4156 4.425385 283.8978 5.501923 284.3799 6.772461 284.8620 8.587189 285.3441 10.23859 285.8262 11.33929 286.3083 12.07925 286.7905 12.91418 287.2726 14.24017 287.7547 15.96597 288.2368 17.15311 288.7189 16.86105 289.2010 17.16647 289.6832 19.25854 290.1653 22.16202 290.6474 24.34705 291.1295 24.83615 291.6116 24.11169 292.0938 24.18320 292.5759 26.01016 293.0580 27.26105 293.5401 26.95807 294.0222 26.09442 294.5043 25.82050 294.9865 26.66107 295.4686 28.19168 295.9507 29.39587 296.4328 30.13803 296.9149 30.76611 297.3970 31.68372 297.8792 32.33441 298.3613 31.83167 298.8434 30.01443 299.3255 28.10135 299.8076 28.29315 300.2897 31.80460 300.7719 34.71899 301.2540 37.22055 301.7361 38.91446 302.2182 39.42484 302.7003 38.75323 303.1824 37.32806 303.6646 35.52811 304.1467 33.15399 304.6288 31.16135 305.1109 28.81256 305.5930 27.42822 306.0751 28.60309 306.5573 31.62653 307.0394 34.03580 307.5215 33.34106 308.0036 29.23541 308.4857 26.43173 308.9678 26.16367 309.4500 26.03745 309.9321 25.80811 310.4142 25.18204 310.8963 23.58862 311.3784 20.41580 311.8605 16.03888 312.3427 13.49295 312.8248 14.53256 313.3069 15.47385 313.7890 15.83893 314.2711 15.66006 314.7532 14.80417 315.2354 13.15503 315.7175 11.28973 316.1996 11.07022 316.6817 14.58487 317.1638 16.38849 317.6459 15.05310 318.1281 12.41080 318.6102 9.701782 319.0923 7.424591 319.5744 5.970490 320.0565 6.298492 320.5386 9.846466 321.0208 11.80972 321.5029 10.72125 321.9850 9.207581 322.4671 9.133026 322.9492 10.55505 323.4313 12.01914 323.9135 11.70493 324.3956 9.020844 324.8777 7.524506 325.3598 8.291779 325.8419 9.088867 326.3240 9.191010 326.8062 8.645569 327.2883 7.852081 327.7704 6.996521 328.2525 5.916016 328.7346 5.530914 329.2167 6.645935 329.6989 7.573456 330.1810 7.684601 330.6631 7.385162 331.1452 7.301788 331.6273 7.613678 332.1094 8.034454 332.5916 8.116547 333.0737 7.575623 333.5558 6.989502 334.0379 6.202759 334.5200 5.688263 335.0021 6.098083 335.4843 7.499359 335.9664 8.938843 336.4485 8.775421 336.9306 5.949493 337.4127 4.819916 337.8948 7.498901 338.3770 10.59613 338.8591 12.17712 339.3412 12.09631 339.8233 11.49893 340.3055 11.51251 340.7876 12.16940 341.2697 12.76089 341.7518 13.49561 342.2339 13.93018 342.7160 13.26309 343.1982 12.12280 343.6803 12.06314 344.1624 14.64355 344.6445 19.06906 345.1266 21.12772 345.6087 19.06558 346.0909 17.44501 346.5730 17.74957 347.0551 19.29117 347.5372 21.42926 348.0193 24.09897 348.5014 26.63126 348.9836 27.49442 349.4657 25.92374 349.9478 25.25540 350.4299 27.49924 350.9120 30.27875 351.3941 31.75592 351.8763 31.60501 352.3584 31.08719 352.8405 31.62802 353.3226 33.27057 353.8047 34.36838 354.2868 34.07730 354.7690 33.84924 355.2511 34.74863 355.7332 36.57037 356.2153 38.34195 356.6974 39.62338 357.1795 40.38055 357.6617 40.25110 358.1438 38.58643 358.6259 37.39935 359.1080 38.43912 359.5901 40.56644 360.0722 41.94138 360.5544 41.66394 361.0365 40.63657 361.5186 40.14185 362.0007 40.26364 362.4828 40.26831 362.9649 39.62338 363.4471 38.84293 363.9292 38.71823 364.4113 39.57224 364.8934 39.96170 365.3755 38.02170 365.8576 34.33875 366.3398 32.40524 366.8219 33.90317 367.3040 36.06052 367.7861 35.70465 368.2682 33.09482 368.7503 30.71918 369.2325 29.66116 369.7146 29.43048 370.1967 29.48483 370.6788 29.93195 371.1609 29.63156 371.6430 26.83301 372.1252 22.50217 372.6073 19.95190 373.0894 21.11084 373.5715 23.00671 374.0536 23.34305 374.5357 22.31522 375.0179 20.94916 375.5000 19.44370 375.9821 18.21133 376.4642 18.48242 376.9463 21.57480 377.4284 23.00751 377.9106 19.32129 378.3927 13.29697 378.8748 9.971680 379.3569 10.83987 379.8390 13.39429 380.3211 14.69531 380.8033 14.64694 381.2854 13.60590 381.7675 10.37576 382.2496 7.035583 382.7317 5.670776 383.2138 6.117920 383.6960 6.094299 384.1781 3.571808 384.6602 1.128448 385.1423 3.328339 385.6244 1.309113 386.1065 0.7669980 386.5887 2.089752 387.0708 2.452545 387.5529 1.206268 388.0350 2.024200 388.5171 6.005798 388.9992 8.037476 389.4814 6.820007 389.9635 5.439758 390.4456 3.183868 390.9277 1.229889 391.4098 0.9664610 391.8919 2.319672 392.3741 3.695679 392.8562 3.369354 393.3383 1.073273 393.8204 0.9140010 394.3025 3.487396 394.7846 4.871399 395.2668 3.640533 395.7489 0.8565980 396.2310 1.684265 396.7131 3.000305 397.1952 3.110870 397.6773 1.984375 398.1595 1.411041 398.6416 4.373444 399.1237 6.772461 399.6058 8.525909 400.0879 9.644867 400.5700 10.10458 401.0522 9.741394 401.5343 7.898865 402.0164 4.110901 402.4985 1.691895 402.9806 1.441895 403.4627 2.041962 403.9449 3.027069 404.4270 4.404114 404.9091 6.436920 405.3912 9.892273 405.8733 13.82141 406.3554 14.86789 406.8376 11.75659 407.3197 8.944061 407.8018 8.134399 408.2839 8.544922 408.7660 9.623169 409.2481 11.32468 409.7303 13.24237 410.2124 15.26147 410.6945 17.32220 411.1766 18.49625 411.6587 18.34805 412.1408 17.52090 412.6230 16.32642 413.1051 14.87631 413.5872 14.07886 414.0693 14.67545 414.5514 16.02530 415.0335 17.36349 415.5157 18.71320 415.9978 19.28918 416.4799 18.19742 416.9620 15.96088 417.4441 14.31622 417.9262 13.55078 418.4084 13.08102 418.8905 12.40109 419.3726 11.75604 419.8547 11.99017 420.3368 13.57828 420.8189 15.52814 421.3011 16.18912 421.7832 15.31320 422.2653 14.31131 422.7474 13.07233 423.2295 11.94403 423.7116 11.35834 424.1938 11.26440 424.6759 11.07755 425.1580 10.26288 425.6401 8.888885 426.1222 8.221985 426.6043 8.651215 427.0865 9.212433 427.5686 10.28647 428.0507 11.15387 428.5328 10.44662 429.0149 7.689728 429.4970 4.367523 429.9792 3.203094 430.4613 5.673523 430.9434 7.094757 431.4255 6.660248 431.9076 6.080688 432.3897 6.376404 432.8719 7.439453 433.3540 8.533478 433.8361 9.038025 434.3182 9.079254 434.8003 9.593597 435.2824 10.88367 435.7646 12.21234 436.2467 13.36859 436.7288 14.47464 437.2109 15.77557 437.6930 17.35657 438.1751 18.73163 438.6573 18.81772 439.1394 17.41473 439.6215 17.69620 440.1036 21.52438 440.5857 25.56390 441.0678 27.19748 441.5500 27.06793 442.0321 27.70599 442.5142 30.88080 442.9963 35.27545 443.4784 38.93845 443.9605 41.77930 444.4427 44.15320 444.9248 45.95255 445.4069 47.56116 445.8890 49.41031 446.3711 51.30069 446.8532 53.72208 447.3354 57.64542 447.8175 62.39252 448.2996 66.37949 448.7817 69.11285 449.2638 71.58417 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