#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:35:56 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1178 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000596.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_1000596
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        R070588
_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            R070588.rod
_rod_data_source.block           3500000
_rod_database.code               1000596
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
95.64258 0.0000000E+00
96.12469 21.06128
96.60681 5.773438
97.08893 11.26270
97.57104 17.64160
98.05316 89.34180
98.53528 204.9741
99.01740 350.3433
99.49951 497.8740
99.98163 647.7510
100.4637 796.5181
100.9459 946.2251
101.4280 1094.614
101.9101 1232.311
102.3922 1342.355
102.8743 1269.411
103.3564 1236.371
103.8386 1268.868
104.3207 1315.341
104.8028 1327.645
105.2849 1301.214
105.7670 1273.991
106.2491 1272.372
106.7313 1284.640
107.2134 1294.572
107.6955 1299.400
108.1776 1297.322
108.6597 1279.700
109.1418 1240.725
109.6240 1190.261
110.1061 1128.376
110.5882 1058.146
111.0703 988.8174
111.5524 929.7837
112.0345 882.9775
112.5167 835.5176
112.9988 779.4385
113.4809 726.6147
113.9630 687.9556
114.4451 664.7256
114.9272 645.8857
115.4094 608.3848
115.8915 517.5298
116.3736 453.6372
116.8557 429.7852
117.3378 430.0249
117.8199 438.4912
118.3021 447.3550
118.7842 455.9639
119.2663 459.9443
119.7484 454.8701
120.2305 450.5728
120.7127 452.0039
121.1948 457.6221
121.6769 461.2051
122.1590 457.0474
122.6411 444.8828
123.1232 437.4712
123.6054 433.6528
124.0875 435.0518
124.5696 445.2900
125.0517 465.7100
125.5338 487.3296
126.0159 501.3062
126.4981 509.0005
126.9802 513.5205
127.4623 511.8765
127.9444 507.2480
128.4265 509.7510
128.9086 522.6909
129.3907 542.4243
129.8729 565.4199
130.3550 591.6523
130.8371 619.9800
131.3192 645.3301
131.8013 665.4380
132.2834 701.8745
132.7656 780.1772
133.2477 864.7666
133.7298 930.4033
134.2119 969.2925
134.6940 997.9634
135.1761 1048.916
135.6583 1135.785
136.1404 1222.914
136.6225 1305.645
137.1046 1384.765
137.5867 1459.739
138.0688 1530.115
138.5510 1596.749
139.0331 1667.341
139.5152 1738.817
139.9973 1817.685
140.4794 1914.348
140.9615 2020.163
141.4437 2115.823
141.9258 2184.523
142.4079 2221.543
142.8900 2278.090
143.3721 2363.880
143.8542 2456.919
144.3364 2546.684
144.8185 2631.841
145.3006 2715.682
145.7827 2802.722
146.2648 2894.606
146.7469 2981.750
147.2291 3057.702
147.7112 3131.207
148.1933 3212.853
148.6754 3306.479
149.1575 3404.653
149.6396 3498.149
150.1218 3588.099
150.6039 3670.355
151.0860 3740.577
151.5681 3801.349
152.0502 3860.595
152.5324 3916.165
153.0145 3976.419
153.4966 4041.412
153.9787 4129.646
154.4608 4216.957
154.9429 4284.613
155.4251 4332.255
155.9072 4370.754
156.3893 4401.089
156.8714 4424.888
157.3535 4443.623
157.8356 4458.048
158.3178 4466.150
158.7999 4462.693
159.2820 4441.883
159.7641 4422.997
160.2462 4420.647
160.7283 4421.228
161.2105 4408.192
161.6926 4370.966
162.1747 4315.579
162.6568 4269.020
163.1389 4244.927
163.6210 4213.158
164.1032 4156.254
164.5853 4090.131
165.0674 4037.343
165.5495 4016.280
166.0316 4027.454
166.5137 4028.452
166.9959 4020.251
167.4780 4003.459
167.9601 3969.024
168.4422 3921.339
168.9243 3874.775
169.4064 3845.555
169.8886 3839.968
170.3707 3828.901
170.8528 3807.371
171.3349 3783.237
171.8170 3761.019
172.2991 3741.512
172.7813 3722.859
173.2634 3701.784
173.7455 3672.854
174.2276 3655.904
174.7097 3661.680
175.1918 3674.633
175.6740 3676.643
176.1561 3663.132
176.6382 3647.326
177.1203 3656.716
177.6024 3705.829
178.0845 3742.620
178.5667 3746.923
179.0488 3733.236
179.5309 3725.179
180.0130 3729.090
180.4951 3748.035
180.9772 3790.986
181.4594 3870.701
181.9415 3943.419
182.4236 3979.292
182.9057 3987.103
183.3878 4005.585
183.8699 4053.000
184.3521 4122.041
184.8342 4192.679
185.3163 4262.997
185.7984 4336.831
186.2805 4421.078
186.7626 4516.153
187.2448 4605.649
187.7269 4678.975
188.2090 4741.629
188.6911 4798.750
189.1732 4846.616
189.6553 4894.244
190.1375 4955.114
190.6196 5032.702
191.1017 5112.596
191.5838 5193.323
192.0659 5271.093
192.5480 5340.665
193.0302 5395.276
193.5123 5442.167
193.9944 5501.755
194.4765 5584.529
194.9586 5661.242
195.4408 5726.170
195.9229 5777.692
196.4050 5813.410
196.8871 5832.803
197.3692 5835.357
197.8513 5815.715
198.3335 5750.104
198.8156 5688.054
199.2977 5655.164
199.7798 5638.565
200.2619 5611.476
200.7440 5553.854
201.2262 5465.170
201.7083 5363.385
202.1904 5240.955
202.6725 5111.571
203.1546 4983.754
203.6367 4853.342
204.1189 4708.335
204.6010 4533.984
205.0831 4321.315
205.5652 4125.681
206.0473 3962.378
206.5294 3799.961
207.0116 3621.899
207.4937 3428.468
207.9758 3233.186
208.4579 3050.739
208.9400 2882.587
209.4221 2722.120
209.9043 2574.598
210.3864 2429.044
210.8685 2280.288
211.3506 2127.229
211.8327 1970.081
212.3148 1807.847
212.7970 1627.767
213.2791 1478.672
213.7612 1383.378
214.2433 1302.673
214.7254 1204.067
215.2075 1080.736
215.6897 948.2886
216.1718 830.8887
216.6539 734.4043
217.1360 643.4248
217.6181 557.4248
218.1002 477.1699
218.5824 406.3027
219.0645 346.0146
219.5466 289.9146
220.0287 226.0312
220.5108 150.0986
220.9929 76.78369
221.4751 0.7109380
221.9572 72.12549
222.4393 119.7075
222.9214 135.5610
223.4035 135.6206
223.8856 153.1157
224.3678 198.2388
224.8499 230.6714
225.3320 231.9619
225.8141 214.8252
226.2962 204.4053
226.7783 211.4087
227.2605 224.3354
227.7426 220.4517
228.2247 197.4258
228.7068 170.3965
229.1889 143.1514
229.6710 116.0479
230.1532 89.82275
230.6353 64.54639
231.1174 40.79443
231.5995 21.63086
232.0816 11.94238
232.5637 6.981934
233.0459 49.72803
233.5280 111.2954
234.0101 172.1460
234.4922 224.3008
234.9743 272.2764
235.4564 323.3662
235.9386 376.3096
236.4207 431.7041
236.9028 494.6104
237.3849 564.0054
237.8670 626.7949
238.3491 672.5903
238.8313 710.2109
239.3134 754.3052
239.7955 806.6914
240.2776 862.9927
240.7597 923.0835
241.2418 986.5771
241.7240 1043.129
242.2061 1085.662
242.6882 1120.942
243.1703 1156.704
243.6524 1193.290
244.1345 1228.855
244.6167 1260.072
245.0988 1287.045
245.5809 1319.481
246.0630 1368.779
246.5451 1419.816
247.0272 1456.438
247.5094 1474.279
247.9915 1486.311
248.4736 1502.264
248.9557 1521.864
249.4378 1550.273
249.9199 1600.009
250.4021 1653.552
250.8842 1691.301
251.3663 1706.570
251.8484 1723.921
252.3305 1775.508
252.8126 1866.302
253.2948 1948.521
253.7769 2003.400
254.2590 2044.987
254.7411 2080.135
255.2232 2108.832
255.7053 2140.135
256.1875 2187.786
256.6696 2255.429
257.1517 2316.866
257.6338 2361.099
258.1159 2397.928
258.5981 2432.679
259.0802 2466.433
259.5623 2498.807
260.0444 2537.289
260.5265 2588.826
261.0086 2606.770
261.4908 2542.224
261.9729 2459.672
262.4550 2401.973
262.9371 2378.763
263.4192 2364.400
263.9013 2327.567
264.3835 2264.664
264.8656 2199.472
265.3477 2143.991
265.8298 2083.705
266.3119 2005.637
266.7940 1907.661
267.2762 1804.214
267.7583 1714.297
268.2404 1641.132
268.7225 1564.583
269.2046 1471.826
269.6867 1379.899
270.1689 1298.460
270.6510 1229.289
271.1331 1168.639
271.6152 1117.087
272.0973 1078.351
272.5794 1026.256
273.0616 934.0862
273.5437 842.2725
274.0258 774.5557
274.5079 733.3091
274.9900 702.6919
275.4721 664.3130
275.9543 615.6960
276.4364 574.7388
276.9185 547.6287
277.4006 526.2896
277.8827 509.6953
278.3648 496.6711
278.8470 482.8765
279.3291 462.2754
279.8112 431.0259
280.2933 399.8687
280.7754 372.5764
281.2575 347.1453
281.7397 320.5176
282.2218 291.4214
282.7039 263.7017
283.1860 244.2507
283.6681 235.0627
284.1502 220.8020
284.6324 192.7456
285.1145 164.1309
285.5966 143.2476
286.0787 130.3264
286.5608 120.0137
287.0429 107.6243
287.5251 93.15356
288.0072 80.12988
288.4893 69.63281
288.9714 59.24854
289.4535 47.65552
289.9356 34.61230
290.4178 21.51123
290.8999 8.795898
291.3820 4.618164
291.8641 15.52954
292.3462 26.20605
292.8283 30.88135
293.3105 22.26318
293.7926 5.685791
294.2747 5.794922
294.7568 0.5002440
295.2389 20.29639
295.7210 26.92969
296.2032 12.10791
296.6853 4.856934
297.1674 17.01660
297.6495 25.02051
298.1316 30.00879
298.6137 31.35815
299.0959 30.47388
299.5780 31.19409
300.0601 29.10645
300.5422 37.37598
301.0243 66.09180
301.5064 105.8904
301.9886 144.3010
302.4707 177.3669
302.9528 203.6812
303.4349 215.0852
303.9170 199.5486
304.3991 198.6062
304.8813 241.9641
305.3634 303.4426
305.8455 352.7686
306.3276 376.8320
306.8097 388.0081
307.2918 403.6218
307.7740 421.6335
308.2561 451.8003
308.7382 512.5444
309.2203 580.5276
309.7024 634.0752
310.1845 665.5757
310.6667 687.5081
311.1488 711.6108
311.6309 736.9021
312.1130 773.8601
312.5951 838.9656
313.0772 911.4014
313.5594 970.2297
314.0415 1010.239
314.5236 1049.252
315.0057 1105.717
315.4878 1179.100
315.9699 1247.871
316.4521 1304.532
316.9342 1356.087
317.4163 1408.727
317.8984 1463.153
318.3805 1518.810
318.8626 1579.636
319.3448 1642.313
319.8269 1687.765
320.3090 1700.593
320.7911 1713.595
321.2732 1762.898
321.7553 1844.727
322.2375 1916.675
322.7196 1953.555
323.2017 1964.974
323.6838 1975.396
324.1659 1986.410
324.6480 2000.417
325.1302 2019.775
325.6123 2043.729
326.0944 2070.930
326.5765 2105.709
327.0586 2141.882
327.5407 2168.994
328.0229 2185.122
328.5050 2197.577
328.9871 2212.525
329.4692 2228.582
329.9513 2240.253
330.4334 2243.616
330.9156 2243.885
331.3977 2248.065
331.8798 2256.302
332.3619 2259.285
332.8440 2247.718
333.3261 2226.256
333.8083 2213.583
334.2904 2222.987
334.7725 2229.903
335.2546 2215.818
335.7367 2184.109
336.2188 2151.610
336.7010 2126.634
337.1831 2106.205
337.6652 2080.883
338.1473 2051.585
338.6294 2017.278
339.1115 1974.547
339.5937 1926.589
340.0758 1880.166
340.5579 1837.627
341.0400 1797.721
341.5221 1758.336
342.0042 1720.723
342.4864 1680.080
342.9685 1632.020
343.4506 1581.755
343.9327 1535.643
344.4148 1495.446
344.8969 1459.331
345.3791 1426.463
345.8612 1402.854
346.3433 1364.816
346.8254 1290.486
347.3075 1215.984
347.7896 1174.886
348.2718 1168.281
348.7539 1169.256
349.2360 1151.900
349.7181 1114.636
350.2002 1067.398
350.6823 992.0063
351.1645 926.2988
351.6466 897.8230
352.1287 896.6160
352.6108 891.1055
353.0929 857.2883
353.5750 797.7229
354.0572 745.6396
354.5393 702.3030
355.0214 664.8860
355.5035 635.3162
355.9856 610.3193
356.4677 585.3005
356.9499 557.8850
357.4320 528.7073
357.9141 499.3589
358.3962 467.9675
358.8783 440.7729
359.3604 422.2668
359.8426 405.6169
360.3247 383.3164
360.8068 353.2261
361.2889 320.2415
361.7710 293.4927
362.2531 275.8652
362.7353 256.4316
363.2174 233.6145
363.6995 209.3088
364.1816 183.4570
364.6637 156.6682
365.1458 131.3960
365.6280 108.5771
366.1101 87.63574
366.5922 76.27197
367.0743 85.63940
367.5564 93.46533
368.0385 91.04370
368.5207 78.87622
369.0028 59.45337
369.4849 29.09424
369.9670 7.264160
370.4491 29.05420
370.9312 30.80688
371.4134 29.06665
371.8955 33.21558
372.3776 39.09473
372.8597 39.75537
373.3418 30.22192
373.8239 17.74414
374.3061 12.10254
374.7882 13.68823
375.2703 18.96802
375.7524 31.86694
376.2345 44.60132
376.7166 44.84253
377.1988 26.14185
377.6809 10.63306
378.1630 21.57275
378.6451 51.15991
379.1272 64.90918
379.6093 48.86816
380.0915 20.26953
380.5736 1.971191
381.0557 5.954102
381.5378 11.56958
382.0199 15.81396
382.5020 19.84399
382.9842 26.00562
383.4663 34.81396
383.9484 42.99365
384.4305 46.50732
384.9126 44.86792
385.3947 47.10938
385.8769 55.79590
386.3590 66.52344
386.8411 77.63379
387.3232 88.46387
387.8053 96.06128
388.2874 96.62036
388.7696 92.48291
389.2517 104.0454
389.7338 148.7876
390.2159 186.2834
390.6980 200.1387
391.1801 201.6445
391.6623 209.1663
392.1444 230.5339
392.6265 258.0588
393.1086 274.3542
393.5907 261.5532
394.0728 264.7849
394.5550 295.2549
395.0371 333.2988
395.5192 367.1624
396.0013 393.2188
396.4834 411.2671
396.9655 417.9788
397.4477 408.6389
397.9298 413.5632
398.4119 450.4927
398.8940 485.5261
399.3761 504.5078
399.8582 511.1472
400.3404 516.5583
400.8225 527.8103
401.3046 543.9282
401.7867 560.8967
402.2688 580.9541
402.7509 597.5635
403.2331 605.9409
403.7152 611.1819
404.1973 619.4990
404.6794 633.4324
405.1615 649.3704
405.6436 663.2939
406.1258 675.3066
406.6079 684.4412
407.0900 688.8518
407.5721 691.4106
408.0542 693.6648
408.5363 695.4575
409.0185 701.2676
409.5006 715.5659
409.9827 735.8413
410.4648 755.1060
410.9469 771.7136
411.4290 789.2578
411.9112 814.5415
412.3933 845.4565
412.8754 866.8640
413.3575 866.1067
413.8396 862.0061
414.3217 872.5850
414.8039 896.7361
415.2860 920.2568
415.7681 932.6589
416.2502 938.2991
416.7323 959.2432
417.2144 1009.370
417.6966 1055.642
418.1787 1086.039
418.6608 1107.947
419.1429 1130.743
419.6250 1157.920
420.1071 1190.256
420.5893 1229.886
421.0714 1281.243
421.5535 1330.749
422.0356 1380.296
422.5177 1426.656
422.9998 1462.781
423.4820 1491.792
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