#\#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
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