#\#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
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