#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:44:12 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1249 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000657.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_1000657
loop_
_publ_author_name
'Antao, S. M.'
_publ_section_title
;
 Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite
 (BaSO4): confirmation of expected variations within SO4 groups
;
_journal_name_full               'American Mineralogist'
_journal_page_first              661
_journal_page_last               665
_journal_paper_doi               10.2138/am.2012.3905
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        '2 Synthetic'
_chemical_formula_sum            'O4 Pb S'
_chemical_name_mineral           Anglesite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.95802
_cell_length_b                   8.48024
_cell_length_c                   5.39754
_cell_volume                     318.486
_exptl_crystal_density_diffrn    6.325
_cod_original_formula_sum        'Pb S O4'
_cod_database_code               9015524
_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            R050408.rod
_rod_data_source.block           3500000
_rod_database.code               1000657
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 9015524 COD http://www.crystallography.net/cod/9015524.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
117.5935 0.0000000E+00
118.0756 0.2993160
118.5577 0.3942870
119.0398 4.534668
119.5220 12.09631
120.0041 20.87524
120.4862 31.24011
120.9683 43.99969
121.4504 59.27850
121.9325 75.87799
122.4147 92.99463
122.8968 110.5846
123.3789 128.7696
123.8610 147.4191
124.3431 166.5694
124.8252 186.5791
125.3074 208.0362
125.7895 229.9272
126.2716 250.2476
126.7537 268.7615
127.2358 285.6924
127.7179 301.1781
128.2001 315.3319
128.6822 328.6765
129.1643 341.6144
129.6464 354.1299
130.1285 365.3937
130.6107 374.3022
131.0928 383.0522
131.5749 392.7798
132.0570 402.8623
132.5391 411.9803
133.0212 419.3477
133.5034 425.0511
133.9855 430.2441
134.4676 436.1465
134.9497 441.3220
135.4318 446.0378
135.9139 447.5024
136.3960 443.6969
136.8782 438.6955
137.3603 429.0357
137.8424 416.2332
138.3245 400.5508
138.8066 382.2494
139.2887 361.9458
139.7709 339.9474
140.2530 316.8032
140.7351 292.4897
141.2172 267.3922
141.6993 243.0503
142.1814 220.3686
142.6636 199.2088
143.1457 178.7525
143.6278 158.7530
144.1099 139.8727
144.5920 122.1842
145.0741 105.8003
145.5563 90.52298
146.0384 76.04620
146.5205 62.40234
147.0026 50.19135
147.4847 39.94980
147.9668 30.95230
148.4490 22.88705
148.9311 15.73145
149.4132 9.575104
149.8953 4.663391
150.3774 1.306458
150.8595 1.356964
151.3417 3.154572
151.8238 4.568176
152.3059 6.288300
152.7880 8.491943
153.2701 10.48004
153.7522 10.38156
154.2344 3.618042
154.7165 5.7999999E-04
155.1986 2.295593
155.6807 7.276398
156.1628 10.97012
156.6449 11.36624
157.1271 9.091705
157.6092 6.710968
158.0913 4.589355
158.5734 2.072571
159.0555 0.9367680
159.5376 4.455078
160.0198 8.659637
160.5019 13.83325
160.9840 19.71140
161.4661 25.14706
161.9482 30.03296
162.4303 34.69333
162.9125 39.38339
163.3946 44.09982
163.8767 48.41409
164.3588 52.19641
164.8409 55.30560
165.3230 57.48807
165.8052 58.43790
166.2873 58.69510
166.7694 59.13727
167.2515 59.94467
167.7336 60.29410
168.2157 59.52518
168.6979 57.95599
169.1800 55.96964
169.6621 53.38907
170.1442 50.57089
170.6263 48.59607
171.1084 48.04276
171.5906 47.70935
172.0727 46.49011
172.5548 44.98419
173.0369 44.44302
173.5190 45.69458
174.0011 48.47531
174.4833 50.65475
174.9654 51.41769
175.4475 52.96799
175.9296 54.79291
176.4117 57.15356
176.8938 60.40588
177.3760 64.98779
177.8581 70.96439
178.3402 75.54871
178.8223 77.66003
179.3044 79.59955
179.7865 82.00735
180.2687 84.91766
180.7508 88.19412
181.2329 91.79205
181.7150 95.76889
182.1971 99.20874
182.6792 102.1249
183.1614 104.5984
183.6435 106.6264
184.1256 108.2250
184.6077 109.4624
185.0898 110.3181
185.5719 110.7607
186.0541 111.3250
186.5362 112.7440
187.0183 113.8723
187.5004 113.4969
187.9825 111.4378
188.4646 108.7939
188.9468 106.4768
189.4289 104.3911
189.9110 102.0118
190.3931 99.09851
190.8752 95.87129
191.3573 92.62587
191.8395 89.40138
192.3216 86.06642
192.8037 82.51251
193.2858 78.79721
193.7679 75.00966
194.2500 71.11813
194.7322 67.18819
195.2143 63.41170
195.6964 59.99194
196.1785 56.47388
196.6606 52.32687
197.1427 47.87315
197.6249 43.88713
198.1070 41.02689
198.5891 39.17111
199.0712 37.07516
199.5533 34.34479
200.0354 31.81172
200.5176 29.89699
200.9997 28.44760
201.4818 27.10776
201.9639 25.60738
202.4460 23.93834
202.9281 22.43083
203.4103 21.05208
203.8924 19.90639
204.3745 19.27425
204.8566 18.94598
205.3387 18.45737
205.8208 17.31534
206.3030 15.39139
206.7851 13.94856
207.2672 13.29509
207.7493 12.69841
208.2314 11.84180
208.7135 10.73212
209.1957 9.666718
209.6778 8.915123
210.1599 8.529205
210.6420 7.873047
211.1241 6.897858
211.6062 5.883850
212.0884 5.325165
212.5705 5.026909
213.0526 4.564529
213.5347 3.712654
214.0168 2.541580
214.4989 1.363083
214.9811 0.3623730
215.4632 0.4897080
215.9453 1.235512
216.4274 1.854004
216.9095 2.305229
217.3916 2.671898
217.8737 2.994698
218.3559 3.069809
218.8380 2.751709
219.3201 2.323418
219.8022 2.053055
220.2843 1.961975
220.7664 1.797310
221.2486 1.280151
221.7307 0.5152820
222.2128 0.1138310
222.6949 0.6250230
223.1770 0.9425280
223.6591 0.9354630
224.1413 0.5681760
224.6234 7.0099004E-02
225.1055 0.7430190
225.5876 1.538551
226.0697 1.589638
226.5518 0.1152110
227.0340 1.906219
227.5161 2.977058
227.9982 2.885689
228.4803 2.563011
228.9624 2.393440
229.4445 2.372246
229.9267 2.523224
230.4088 2.953056
230.8909 3.496254
231.3730 3.817734
231.8551 3.822563
232.3372 3.867943
232.8194 4.039459
233.3015 4.334923
233.7836 4.807106
234.2657 5.549644
234.7478 6.367134
235.2299 6.764839
235.7121 6.464455
236.1942 6.299263
236.6763 6.546707
237.1584 7.013313
237.6405 7.492386
238.1227 7.888931
238.6048 8.273319
239.0869 8.866177
239.5690 9.954948
240.0511 10.72291
240.5332 10.91320
241.0154 10.81010
241.4975 10.63971
241.9796 10.49479
242.4617 10.43431
242.9438 10.63731
243.4259 11.31419
243.9081 11.93878
244.3902 12.46804
244.8723 12.91744
245.3544 13.26537
245.8365 13.50556
246.3186 13.72038
246.8008 14.11423
247.2829 15.03412
247.7650 15.61685
248.2471 15.58147
248.7292 15.34264
249.2113 15.27587
249.6935 15.50891
250.1756 15.91343
250.6577 16.23689
251.1398 16.34272
251.6219 16.57829
252.1040 17.07102
252.5862 17.62190
253.0683 18.05402
253.5504 18.31716
254.0325 18.46852
254.5146 18.60423
254.9967 18.69876
255.4789 18.84174
255.9610 19.13731
256.4431 19.43328
256.9252 19.55238
257.4073 19.46053
257.8894 19.32491
258.3716 19.38040
258.8537 19.75214
259.3358 20.00732
259.8179 20.02311
260.3000 19.99488
260.7821 20.15823
261.2643 20.53371
261.7464 20.85012
262.2285 20.77557
262.7106 20.18880
263.1927 19.79676
263.6748 19.62033
264.1570 19.62440
264.6391 19.93651
265.1212 20.54207
265.6033 21.01162
266.0854 20.85432
266.5675 20.03640
267.0497 19.53951
267.5318 19.66433
268.0139 19.94132
268.4960 19.98636
268.9781 19.78164
269.4602 19.53919
269.9424 19.40097
270.4245 19.36883
270.9066 19.37263
271.3887 19.50990
271.8708 19.60543
272.3529 19.48439
272.8351 19.16141
273.3172 18.81994
273.7993 18.58741
274.2814 18.43674
274.7635 18.24747
275.2456 18.06153
275.7278 17.79689
276.2099 17.34039
276.6920 16.74763
277.1741 16.28438
277.6562 16.08092
278.1383 16.06296
278.6205 16.10047
279.1026 16.31389
279.5847 16.41161
280.0668 15.99587
280.5489 15.16283
281.0310 14.62497
281.5132 14.79729
281.9953 15.20506
282.4774 15.14362
282.9595 14.52029
283.4416 13.80562
283.9237 13.29603
284.4059 13.05644
284.8880 12.98507
285.3701 13.13540
285.8522 13.29902
286.3343 13.24201
286.8164 12.97783
287.2986 12.73342
287.7807 12.66631
288.2628 12.72106
288.7449 12.70110
289.2270 12.53669
289.7091 12.36586
290.1913 12.32228
290.6734 12.37395
291.1555 12.40462
291.6376 12.38399
292.1197 12.30768
292.6018 12.12220
293.0840 11.75003
293.5661 11.43205
294.0482 11.45209
294.5303 11.63787
295.0124 11.65514
295.4945 11.26032
295.9767 10.68487
296.4588 10.34367
296.9409 10.30181
297.4230 10.28407
297.9051 10.12999
298.3872 9.916578
298.8694 9.741764
299.3515 9.672806
299.8336 9.612787
300.3157 9.434381
300.7978 9.130001
301.2799 8.799408
301.7621 8.334152
302.2442 7.926130
302.7263 7.792049
303.2084 8.004704
303.6905 8.301701
304.1726 8.432205
304.6548 8.389137
305.1369 8.255537
305.6190 7.892292
306.1011 7.572189
306.5832 7.574650
307.0653 7.910013
307.5475 8.234560
308.0296 8.243349
308.5117 7.952335
308.9938 7.632927
309.4759 7.235794
309.9580 6.930519
310.4402 6.894583
310.9223 7.071934
311.4044 7.223749
311.8865 7.099051
312.3686 6.766743
312.8507 6.613022
313.3329 6.724922
313.8150 6.864820
314.2971 6.896421
314.7792 6.870560
315.2613 6.879547
315.7434 6.991909
316.2256 7.142330
316.7077 7.185654
317.1898 7.091812
317.6719 6.991930
318.1540 6.873829
318.6361 6.798254
319.1183 6.880953
319.6004 7.213795
320.0825 7.567617
320.5646 7.573677
321.0467 7.162336
321.5288 6.793667
322.0110 6.659559
322.4931 6.615442
322.9752 6.583979
323.4573 6.549763
323.9394 6.433722
324.4215 6.091324
324.9037 5.541626
325.3858 5.211279
325.8679 5.325478
326.3500 5.539658
326.8321 5.622051
327.3142 5.570374
327.7964 5.450569
328.2785 5.292694
328.7606 5.109610
329.2427 4.924234
329.7248 4.710907
330.2069 4.544044
330.6891 4.516575
331.1712 4.562809
331.6533 4.538628
332.1354 4.327921
332.6175 4.032785
333.0996 3.879562
333.5818 3.916544
334.0639 3.936892
334.5460 3.711302
335.0281 3.453434
335.5102 3.467920
335.9923 3.948156
336.4745 4.457499
336.9566 4.407150
337.4387 3.757385
337.9208 3.207304
338.4029 3.057817
338.8850 3.059149
339.3671 2.949646
339.8492 2.699512
340.3314 2.491396
340.8135 2.561535
341.2956 2.839705
341.7777 2.835430
342.2598 2.274263
342.7419 1.683628
343.2241 1.591961
343.7062 1.901737
344.1883 2.125376
344.6704 1.929140
345.1525 1.501518
345.6346 1.277256
346.1168 1.336926
346.5989 1.412611
347.0810 1.223625
347.5631 0.9220370
348.0452 0.7951930
348.5273 1.049034
349.0095 1.389137
349.4916 1.440304
349.9737 1.194283
350.4558 1.017464
350.9379 1.196400
351.4200 1.468784
351.9022 1.379234
352.3843 0.7700040
352.8664 0.1840590
353.3485 3.1659999E-03
353.8306 0.1357230
354.3127 0.3542480
354.7949 0.6658970
355.2770 0.9015050
355.7591 0.7865370
356.2412 0.3305740
356.7233 6.5513998E-02
357.2054 0.1947020
357.6876 0.1951750
358.1697 0.3059010
358.6518 0.5738370
359.1339 0.8361700
359.6160 0.9370420
360.0981 0.9024930
360.5803 0.8785250
361.0624 0.9119340
361.5445 0.9369240
362.0266 0.8910870
362.5087 0.7818410
362.9908 0.6624150
363.4730 0.5394290
363.9551 0.4445190
364.4372 0.4670100
364.9193 0.6953350
365.4014 0.8813970
365.8835 0.8867190
366.3657 0.7844510
366.8478 0.6913870
367.3299 0.6296040
367.8120 0.6635670
368.2941 0.9589000
368.7762 1.619228
369.2584 2.064137
369.7405 2.135902
370.2226 2.005241
370.7047 1.775864
371.1868 1.475227
371.6689 1.210499
372.1511 1.081425
372.6332 1.096413
373.1153 1.106045
373.5974 1.072464
374.0795 1.068214
374.5616 1.165096
375.0438 1.322548
375.5259 1.431065
376.0080 1.426403
376.4901 1.341911
376.9722 1.295261
377.4543 1.378059
377.9365 1.378891
378.4186 1.206444
378.9007 0.9765740
379.3828 0.8294560
379.8649 0.7986410
380.3470 0.7936250
380.8292 0.6781850
381.3113 0.3708880
381.7934 0.2017670
382.2755 0.2400590
382.7576 0.3382150
383.2397 0.4653470
383.7219 0.5823820
384.2040 0.6170430
384.6861 0.5099830
385.1682 0.2680820
385.6503 1.7659999E-03
386.1324 0.3262940
386.6146 0.6498110
387.0967 0.8756070
387.5788 1.121284
388.0609 1.607082
388.5430 2.421967
389.0251 3.323021
389.5073 3.798630
389.9894 3.615978
390.4715 3.478012
390.9536 3.226891
391.4357 3.173424
391.9178 3.579788
392.4000 4.424881
392.8821 5.460503
393.3642 6.540764
393.8463 7.682079
394.3284 8.389660
394.8105 8.173950
395.2927 8.076485
395.7748 8.498669
396.2569 9.266186
396.7390 10.09524
397.2211 10.86942
397.7032 11.56787
398.1854 12.08979
398.6675 12.32825
399.1496 12.73016
399.6317 13.47752
400.1138 14.40330
400.5959 15.42210
401.0781 16.51631
401.5602 17.64801
402.0423 18.78556
402.5244 19.92348
403.0065 21.06318
403.4886 22.27114
403.9708 23.37139
404.4529 24.09827
404.9350 24.60942
405.4171 25.37593
405.8992 26.80824
406.3813 28.50260
406.8635 29.78179
407.3456 30.59759
407.8277 31.43845
408.3098 32.50944
408.7919 33.79657
409.2740 35.27851
409.7562 37.05157
410.2383 38.76719
410.7204 40.07138
411.2025 41.14626
411.6846 42.56788
412.1667 44.50733
412.6489 46.75975
413.1310 49.14794
413.6131 51.67620
414.0952 54.22230
414.5773 56.37346
415.0594 58.78629
415.5416 62.16988
416.0237 66.47701
416.5058 71.02126
416.9879 75.32671
417.4700 79.52602
417.9521 84.31689
418.4343 89.39585
418.9164 95.28757
419.3985 102.1249
419.8806 109.8837
420.3627 118.5311
420.8448 128.0763
421.3270 138.3890
421.8091 149.3934
422.2912 161.4900
422.7733 172.9398
423.2554 183.2942
423.7375 193.4195
424.2197 203.1615
424.7018 212.9593
425.1839 223.7833
425.6660 236.2948
426.1481 250.3882
426.6302 265.9073
427.1124 281.9810
427.5945 300.7822
428.0766 322.9195
428.5587 347.6060
429.0408 373.8051
429.5229 401.2828
430.0051 431.6696
430.4872 467.2456
430.9693 508.0319
431.4514 553.1430
431.9335 602.0707
432.4156 656.5739
432.8978 717.2112
433.3799 784.2609
433.8620 858.8583
434.3441 941.2635
434.8262 1031.444
435.3083 1129.733
435.7905 1237.312
436.2726 1348.938
436.7547 1469.313
437.2368 1590.122
437.7189 1708.060
438.2010 1823.687
438.6832 1920.515
439.1653 1987.584
439.6474 2024.666
440.1295 2028.760
440.6116 1994.171
441.0938 1935.604
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