#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:36:04 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1180 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000597.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_1000597
loop_
_publ_author_name
'Finch, R. J.'
'Burns, P. C.'
'Hawthorne, F. C.'
'Ewing, R. C.'
_publ_section_title
;
 Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6]
 (H2O)8 Locality: Shaba, Democratic Republic of Congo
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1197
_journal_page_last               1205
_journal_paper_doi               10.2113/gscanmin.44.5.1197
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        R070624
_chemical_formula_sum            'Ba H6 O30 U6'
_chemical_name_mineral           Billietite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2ab'
_symmetry_space_group_name_H-M   'P b n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.0941
_cell_length_b                   30.211
_cell_length_c                   7.1563
_cell_volume                     2614.732
_exptl_crystal_density_diffrn    5.211
_cod_original_formula_sum        'Ba U6 O30 H6'
_cod_database_code               9010599
_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            R070624.rod
_rod_data_source.block           3500000
_rod_database.code               1000597
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 9010599 COD http://www.crystallography.net/cod/9010599.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
102.1658 0.0000000E+00
102.6479 1.095734
103.1300 1.172363
103.6121 8.0688000E-02
104.0942 0.2403260
104.5764 1.523682
105.0585 2.872742
105.5406 4.132202
106.0227 5.185455
106.5048 5.581177
106.9869 4.479279
107.4691 3.722748
107.9512 4.335510
108.4333 5.834351
108.9154 7.340851
109.3975 7.757385
109.8796 6.886627
110.3618 6.677948
110.8439 7.939514
111.3260 9.039185
111.8081 8.951721
112.2902 7.746002
112.7723 6.379852
113.2544 6.280548
113.7366 8.900909
114.2187 10.36035
114.7008 9.623779
115.1829 8.224457
115.6650 7.578156
116.1471 8.148468
116.6293 9.507111
117.1114 11.00714
117.5935 13.38229
118.0756 14.69791
118.5577 14.88580
119.0398 14.58164
119.5220 14.26270
120.0041 14.30005
120.4862 14.63150
120.9683 14.38480
121.4504 13.28714
121.9325 12.28696
122.4147 11.61523
122.8968 11.09137
123.3789 10.79745
123.8610 11.56409
124.3431 12.55573
124.8252 12.75876
125.3074 11.61227
125.7895 9.826599
126.2716 8.698547
126.7537 8.609711
127.2358 8.506561
127.7179 8.011780
128.2001 7.282959
128.6822 6.551208
129.1643 6.037506
129.6464 5.729950
130.1285 5.277588
130.6107 4.795044
131.0928 3.944641
131.5749 2.248199
132.0570 0.1239930
132.5391 1.562775
133.0212 1.980957
133.5034 0.9141540
133.9855 7.3821999E-02
134.4676 1.246948
134.9497 2.162262
135.4318 2.528412
135.9139 2.338379
136.3960 1.818329
136.8782 1.150665
137.3603 0.2769470
137.8424 0.3854370
138.3245 0.9226680
138.8066 1.194550
139.2887 0.8655400
139.7709 0.2659300
140.2530 1.490082
140.7351 1.767120
141.2172 1.196106
141.6993 0.7025150
142.1814 0.6004330
142.6636 0.8721620
143.1457 1.544128
143.6278 3.059235
144.1099 4.462494
144.5920 4.919006
145.0741 4.429565
145.5563 3.693573
146.0384 3.142670
146.5205 2.726532
147.0026 2.910980
147.4847 4.698822
147.9668 6.536621
148.4490 7.512939
148.9311 7.452057
149.4132 6.895752
149.8953 6.649933
150.3774 6.885132
150.8595 7.104462
151.3417 7.237671
151.8238 7.353088
152.3059 7.433594
152.7880 7.483765
153.2701 7.625580
153.7522 8.175842
154.2344 9.998444
154.7165 11.23727
155.1986 11.65430
155.6807 11.51392
156.1628 11.09521
156.6449 10.51495
157.1271 9.814606
157.6092 9.199036
158.0913 8.154449
158.5734 7.716888
159.0555 8.789764
159.5376 10.79446
160.0198 12.36011
160.5019 12.15759
160.9840 10.74698
161.4661 10.31854
161.9482 11.49527
162.4303 13.05042
162.9125 14.13632
163.3946 14.74789
163.8767 15.28055
164.3588 16.00766
164.8409 16.76892
165.3230 17.28656
165.8052 17.41364
166.2873 17.39761
166.7694 17.54340
167.2515 17.88348
167.7336 18.29044
168.2157 18.83682
168.6979 19.38089
169.1800 19.68542
169.6621 19.48993
170.1442 19.10312
170.6263 19.52557
171.1084 21.66690
171.5906 23.14227
172.0727 22.84732
172.5548 21.57880
173.0369 20.42807
173.5190 20.06531
174.0011 20.41135
174.4833 20.72955
174.9654 21.13379
175.4475 21.36246
175.9296 21.31500
176.4117 21.05872
176.8938 20.68552
177.3760 20.23401
177.8581 19.69357
178.3402 19.46872
178.8223 19.75327
179.3044 20.11987
179.7865 20.50674
180.2687 20.86621
180.7508 21.13309
181.2329 21.26511
181.7150 21.26297
182.1971 20.99228
182.6792 19.98627
183.1614 19.12390
183.6435 19.09573
184.1256 19.85654
184.6077 20.61899
185.0898 20.57709
185.5719 19.67633
186.0541 19.36761
186.5362 20.20590
187.0183 21.34097
187.5004 22.07300
187.9825 22.33221
188.4646 22.17490
188.9468 21.37683
189.4289 20.09729
189.9110 19.00705
190.3931 18.27469
190.8752 17.84012
191.3573 17.59189
191.8395 17.51498
192.3216 17.59668
192.8037 17.93082
193.2858 18.39938
193.7679 18.74417
194.2500 19.04453
194.7322 19.14761
195.2143 18.38657
195.6964 15.95413
196.1785 13.90527
196.6606 13.76163
197.1427 14.85052
197.6249 15.64795
198.1070 14.84070
198.5891 12.61096
199.0712 11.10532
199.5533 10.85941
200.0354 10.82233
200.5176 10.67126
200.9997 10.41931
201.4818 10.13168
201.9639 9.769043
202.4460 9.306610
202.9281 9.324280
203.4103 11.02136
203.8924 12.10724
204.3745 11.43607
204.8566 9.484222
205.3387 7.560913
205.8208 6.863495
206.3030 7.584137
206.7851 7.625671
207.2672 6.398621
207.7493 5.125275
208.2314 4.293793
208.7135 3.868256
209.1957 3.535889
209.6778 2.997223
210.1599 2.192047
210.6420 1.685028
211.1241 1.545746
211.6062 1.575623
212.0884 1.740021
212.5705 1.999573
213.0526 2.283813
213.5347 2.569641
214.0168 2.864899
214.4989 2.802185
214.9811 2.024536
215.4632 1.196930
215.9453 0.7084350
216.4274 0.5947570
216.9095 0.7861330
217.3916 1.410095
217.8737 2.419922
218.3559 2.628174
218.8380 1.308167
219.3201 0.3627320
219.8022 1.414581
220.2843 1.778381
220.7664 1.815094
221.2486 1.739441
221.7307 1.550018
222.2128 1.261292
222.6949 0.7650150
223.1770 0.2256770
223.6591 0.1988220
224.1413 0.5102230
224.6234 0.6612850
225.1055 0.4816280
225.5876 0.1178280
226.0697 0.1679080
226.5518 0.2893680
227.0340 0.3072510
227.5161 0.3271480
227.9982 0.3804930
228.4803 0.3271790
228.9624 0.1706850
229.4445 0.1514590
229.9267 0.8312380
230.4088 2.201385
230.8909 3.745972
231.3730 4.249725
231.8551 3.093933
232.3372 2.487274
232.8194 3.892639
233.3015 6.142700
233.7836 7.894836
234.2657 8.534515
234.7478 8.467102
235.2299 8.574860
235.7121 8.896759
236.1942 9.339020
236.6763 9.664154
237.1584 10.14810
237.6405 11.17957
238.1227 12.98953
238.6048 15.22223
239.0869 16.95578
239.5690 17.94101
240.0511 18.83719
240.5332 19.46301
241.0154 20.20575
241.4975 21.59076
241.9796 23.85388
242.4617 26.52692
242.9438 28.34967
243.4259 28.42587
243.9081 29.10846
244.3902 30.92194
244.8723 33.13647
245.3544 35.17184
245.8365 36.80295
246.3186 38.14981
246.8008 39.48151
247.2829 40.51981
247.7650 41.98254
248.2471 44.05014
248.7292 46.43954
249.2113 49.01279
249.6935 51.69354
250.1756 54.29483
250.6577 56.45166
251.1398 57.88046
251.6219 59.19284
252.1040 59.93463
252.5862 60.79044
253.0683 62.57196
253.5504 65.45166
254.0325 68.71381
254.5146 71.19064
254.9967 72.46091
255.4789 73.57755
255.9610 74.58081
256.4431 75.41061
256.9252 75.91779
257.4073 76.09424
257.8894 76.24063
258.3716 76.81769
258.8537 78.21378
259.3358 78.93744
259.8179 78.93097
260.3000 78.29761
260.7821 77.02188
261.2643 75.12167
261.7464 72.84378
262.2285 70.38550
262.7106 67.66125
263.1927 65.14600
263.6748 63.37689
264.1570 61.48410
264.6391 58.70752
265.1212 54.98196
265.6033 50.71402
266.0854 46.00140
266.5675 40.88391
267.0497 37.10425
267.5318 35.93420
268.0139 35.27344
268.4960 33.31570
268.9781 30.01819
269.4602 26.71796
269.9424 24.45618
270.4245 23.13553
270.9066 21.61011
271.3887 19.74786
271.8708 17.75311
272.3529 15.61386
272.8351 13.36841
273.3172 11.49518
273.7993 10.36166
274.2814 9.842468
274.7635 9.328033
275.2456 8.726379
275.7278 8.229004
276.2099 8.004486
276.6920 8.022461
277.1741 8.086823
277.6562 8.159454
278.1383 8.163025
278.6205 7.868103
279.1026 7.051544
279.5847 6.441406
280.0668 6.754700
280.5489 7.826385
281.0310 8.539642
281.5132 8.221344
281.9953 7.621552
282.4774 7.899445
282.9595 9.209076
283.4416 10.44040
283.9237 11.01822
284.4059 10.98865
284.8880 10.37271
285.3701 8.607941
285.8522 7.066681
286.3343 7.505188
286.8164 9.813843
287.2986 11.73706
287.7807 11.80264
288.2628 10.50421
288.7449 9.475037
289.2270 9.091797
289.7091 8.700287
290.1913 7.424347
290.6734 5.584198
291.1555 4.359070
291.6376 4.713409
292.1197 6.036835
292.6018 6.954010
293.0840 7.427124
293.5661 7.407593
294.0482 6.495880
294.5303 5.123444
295.0124 4.089813
295.4945 4.020081
295.9767 4.309448
296.4588 3.719849
296.9409 1.935028
297.4230 0.3591310
297.9051 6.6955999E-02
298.3872 6.7199998E-02
298.8694 0.1339720
299.3515 2.3682000E-02
299.8336 0.3513790
300.3157 0.9449160
300.7978 1.930176
301.2799 2.425354
301.7621 1.700989
302.2442 0.4949950
302.7263 0.6885380
303.2084 1.863739
303.6905 2.759796
304.1726 2.898529
304.6548 2.233521
305.1369 1.922546
305.6190 2.535675
306.1011 3.383392
306.5832 3.899994
307.0653 4.061188
307.5475 4.261139
308.0296 4.721405
308.5117 5.381866
308.9938 6.504150
309.4759 8.824951
309.9580 10.91208
310.4402 11.51117
310.9223 10.95428
311.4044 10.62479
311.8865 11.36554
312.3686 12.98920
312.8507 15.07098
313.3329 18.26852
313.8150 20.88651
314.2971 21.68353
314.7792 21.35858
315.2613 21.16034
315.7434 21.49203
316.2256 22.34711
316.7077 24.06384
317.1898 27.23105
317.6719 29.82217
318.1540 30.59619
318.6361 30.46194
319.1183 30.22641
319.6004 30.00177
320.0825 30.09662
320.5646 31.11511
321.0467 33.23615
321.5288 35.14188
322.0110 36.35837
322.4931 37.21143
322.9752 37.88855
323.4573 38.41238
323.9394 38.83218
324.4215 39.15506
324.9037 39.38156
325.3858 39.66541
325.8679 40.22549
326.3500 40.63373
326.8321 40.46472
327.3142 39.81128
327.7964 39.25583
328.2785 39.18051
328.7606 39.53070
329.2427 40.05527
329.7248 40.80203
330.2069 41.62851
330.6891 42.52457
331.1712 43.42892
331.6533 44.22549
332.1354 45.00140
332.6175 45.56744
333.0996 45.41913
333.5818 44.33200
334.0639 43.25150
334.5460 42.53763
335.0281 42.13678
335.5102 42.11172
335.9923 42.61649
336.4745 43.17984
336.9566 43.24341
337.4387 42.78510
337.9208 42.21362
338.4029 41.91083
338.8850 41.32764
339.3671 39.69318
339.8492 36.85184
340.3314 34.24072
340.8135 33.23148
341.2956 33.53110
341.7777 33.31516
342.2598 32.02948
342.7419 30.47754
343.2241 29.44968
343.7062 28.82431
344.1883 27.99780
344.6704 26.38046
345.1525 24.40863
345.6346 23.17755
346.1168 22.99979
346.5989 22.73444
347.0810 21.31653
347.5631 19.26056
348.0452 17.40295
348.5273 15.87381
349.0095 14.70651
349.4916 14.12823
349.9737 14.15875
350.4558 13.99731
350.9379 13.25381
351.4200 12.09177
351.9022 10.69141
352.3843 8.809418
352.8664 7.407227
353.3485 7.576233
353.8306 8.878754
354.3127 9.575409
354.7949 9.131805
355.2770 7.998535
355.7591 6.468323
356.2412 4.534149
356.7233 3.177216
357.2054 3.342682
357.6876 4.107880
358.1697 3.732727
358.6518 1.796051
359.1339 1.1963000E-02
359.6160 1.0380000E-03
360.0981 1.579865
360.5803 3.081024
361.0624 4.821442
361.5445 6.008026
362.0266 5.583893
362.5087 3.751740
362.9908 2.145325
363.4730 1.788208
363.9551 2.222015
364.4372 1.946106
364.9193 0.3890690
365.4014 0.8717960
365.8835 0.7887880
366.3657 1.0254000E-02
366.8478 0.1720280
367.3299 0.8265080
367.8120 2.293732
368.2941 3.198212
368.7762 3.521851
369.2584 3.448395
369.7405 2.527466
370.2226 1.492737
370.7047 1.155731
371.1868 1.583771
371.6689 2.168121
372.1511 2.417999
372.6332 2.307373
373.1153 1.880402
373.5974 0.7501830
374.0795 0.2931820
374.5616 0.7015690
375.0438 0.7077640
375.5259 1.004150
376.0080 2.021454
376.4901 3.463959
376.9722 4.267181
377.4543 3.890167
377.9365 3.581390
378.4186 3.280853
378.9007 3.190399
379.3828 3.713654
379.8649 4.909485
380.3470 6.182831
380.8292 6.644592
381.3113 5.822388
381.7934 5.610901
382.2755 6.162842
382.7576 7.100769
383.2397 8.460541
383.7219 10.06061
384.2040 11.39490
384.6861 11.97699
385.1682 11.90259
385.6503 12.68173
386.1324 15.51395
386.6146 17.90033
387.0967 19.22739
387.5788 19.91391
388.0609 20.49661
388.5430 21.20166
389.0251 21.93906
389.5073 22.47021
389.9894 22.44287
390.4715 22.97800
390.9536 24.62784
391.4357 26.38715
391.9178 27.46686
392.4000 27.90356
392.8821 28.45078
393.3642 30.02710
393.8463 32.69037
394.3284 34.41714
394.8105 34.34259
395.2927 34.29608
395.7748 34.80988
396.2569 35.78625
396.7390 37.10431
397.2211 38.81451
397.7032 40.59521
398.1854 41.52213
398.6675 41.10339
399.1496 41.34872
399.6317 43.96878
400.1138 46.77631
400.5959 48.07831
401.0781 47.59366
401.5602 46.25531
402.0423 44.36496
402.5244 42.06976
403.0065 41.13702
403.4886 42.53256
403.9708 44.24728
404.4529 44.97836
404.9350 44.90210
405.4171 44.47037
405.8992 43.54208
406.3813 42.53702
406.8635 42.29324
407.3456 42.92224
407.8277 43.24570
408.3098 42.33597
408.7919 40.92737
409.2740 40.31543
409.7562 40.83893
410.2383 41.45200
410.7204 41.53696
411.2025 41.21371
411.6846 40.77567
412.1667 40.22540
412.6489 39.77899
413.1310 39.76654
413.6131 40.16971
414.0952 40.58856
414.5773 41.02374
415.0594 41.40054
415.5416 41.76584
416.0237 42.07123
416.5058 41.90948
416.9879 40.79877
417.4700 39.06195
417.9521 38.20956
418.4343 38.48938
418.9164 39.08655
419.3985 40.00027
419.8806 41.03372
420.3627 41.82959
420.8448 42.27957
421.3270 42.68927
421.8091 43.57401
422.2912 45.28854
422.7733 46.36404
423.2554 46.43167
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