#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:39:57 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1207 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000621.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_1000621
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        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            R040004.rod
_rod_data_source.block           3500000
_rod_database.code               1000621
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
112.8305 0.0000000E+00
113.3126 1.879639
113.7947 0.1104130
114.2769 0.9084470
114.7590 0.1345210
115.2411 2.132019
115.7232 6.106140
116.2053 11.40375
116.6874 17.07397
117.1695 22.14581
117.6517 26.14337
118.1338 31.30676
118.6159 37.78320
119.0980 45.15320
119.5801 53.28833
120.0622 62.15875
120.5444 71.31964
121.0265 79.91528
121.5086 87.87134
121.9907 96.69574
122.4728 107.1771
122.9549 118.8242
123.4371 130.4119
123.9192 141.4637
124.4013 152.5507
124.8834 164.1942
125.3655 176.4128
125.8476 188.8388
126.3298 201.3402
126.8119 213.9020
127.2940 226.2079
127.7761 238.3701
128.2582 250.1703
128.7404 261.2309
129.2225 271.4595
129.7046 281.4241
130.1867 292.4037
130.6688 305.7347
131.1509 317.3826
131.6331 327.0462
132.1152 335.0141
132.5973 341.6796
133.0794 347.2222
133.5615 351.4716
134.0436 353.6324
134.5258 352.8214
135.0079 350.6771
135.4900 347.0172
135.9721 342.1547
136.4542 336.6003
136.9363 330.7387
137.4184 324.4543
137.9006 316.5674
138.3827 305.5431
138.8648 294.6229
139.3469 285.5174
139.8290 278.1817
140.3111 271.2554
140.7933 263.6269
141.2754 255.8005
141.7575 250.7508
142.2396 248.3866
142.7217 247.0378
143.2038 245.3961
143.6860 243.2321
144.1681 241.7477
144.6502 242.9243
145.1323 246.0640
145.6144 249.5237
146.0965 252.3173
146.5787 255.0558
147.0608 258.3316
147.5429 262.0803
148.0250 266.2832
148.5071 270.0744
148.9892 273.2530
149.4714 276.3499
149.9535 279.5798
150.4356 283.0655
150.9177 284.3974
151.3998 283.6323
151.8819 280.5908
152.3641 274.5100
152.8462 265.6440
153.3283 255.1780
153.8104 244.2987
154.2925 233.4391
154.7746 220.8951
155.2568 205.8357
155.7389 190.0617
156.2210 174.2617
156.7031 158.8428
157.1852 144.2665
157.6673 131.4675
158.1495 121.6091
158.6316 112.0145
159.1137 102.2922
159.5958 92.98447
160.0779 84.57587
160.5600 77.17209
161.0422 70.73206
161.5243 65.29037
162.0064 61.23706
162.4885 57.10373
162.9706 52.22751
163.4527 47.04355
163.9349 42.53143
164.4170 39.26199
164.8991 36.55389
165.3812 32.95392
165.8633 28.04837
166.3454 23.52234
166.8276 20.68106
167.3097 19.27921
167.7918 17.40909
168.2739 14.26321
168.7560 10.34271
169.2381 6.110016
169.7203 1.408295
170.2024 2.896271
170.6845 5.381378
171.1666 6.383850
171.6487 6.861267
172.1308 6.714050
172.6130 6.333160
173.0951 6.036194
173.5772 5.927734
174.0593 5.883911
174.5414 5.651611
175.0235 4.999115
175.5057 4.659210
175.9878 5.023148
176.4699 5.605743
176.9520 6.038940
177.4341 6.155533
177.9162 5.949570
178.3984 5.400375
178.8805 3.891998
179.3626 2.837433
179.8447 2.832748
180.3268 3.252472
180.8089 3.254471
181.2911 2.320908
181.7732 0.7144620
182.2553 1.5976001E-02
182.7374 1.388107
183.2195 2.288696
183.7016 1.790573
184.1838 0.4541320
184.6659 0.6462710
185.1480 0.8017120
185.6301 0.1408230
186.1122 3.7292000E-02
186.5943 0.6554260
187.0765 1.517807
187.5586 2.624924
188.0407 3.872711
188.5228 4.955490
189.0049 5.668350
189.4870 6.028259
189.9692 6.291336
190.4513 6.319595
190.9334 6.367065
191.4155 6.669128
191.8976 7.211441
192.3797 7.638763
192.8619 7.584869
193.3440 7.270172
193.8261 7.323151
194.3082 7.995712
194.7903 8.939957
195.2724 9.938766
195.7546 11.05418
196.2367 11.85628
196.7188 11.57782
197.2009 10.89392
197.6830 10.75185
198.1651 11.73836
198.6473 13.21207
199.1294 13.92949
199.6115 13.45782
200.0936 13.31671
200.5757 14.58752
201.0578 16.47977
201.5400 17.99489
202.0221 18.58179
202.5042 18.54803
202.9863 18.79578
203.4684 19.53354
203.9505 20.24466
204.4327 20.85385
204.9148 21.31462
205.3969 21.51512
205.8790 21.31110
206.3611 20.84512
206.8432 20.83522
207.3254 21.88396
207.8075 22.68504
208.2896 22.59763
208.7717 22.15168
209.2538 22.20030
209.7359 23.36848
210.2181 25.46435
210.7002 26.71155
211.1823 26.14220
211.6644 25.67339
212.1465 25.64968
212.6286 25.98593
213.1108 26.52303
213.5929 27.18871
214.0750 27.94967
214.5571 28.32843
215.0392 27.73638
215.5213 27.41498
216.0035 27.86018
216.4856 28.85892
216.9677 29.97970
217.4498 30.98721
217.9319 31.85722
218.4140 32.19035
218.8961 31.88103
219.3783 31.29460
219.8604 30.27390
220.3425 29.02844
220.8246 28.16492
221.3067 28.15228
221.7888 28.84499
222.2710 29.10799
222.7531 28.64520
223.2352 28.07267
223.7173 27.64024
224.1994 27.34759
224.6815 27.15655
225.1637 27.09603
225.6458 27.10580
226.1279 26.95583
226.6100 26.42691
227.0921 25.91547
227.5742 25.72197
228.0564 25.64372
228.5385 25.36581
229.0206 24.72779
229.5027 23.88646
229.9848 23.18640
230.4669 22.70860
230.9491 22.31081
231.4312 21.89354
231.9133 21.45028
232.3954 20.93892
232.8775 20.27792
233.3596 19.58575
233.8418 19.01312
234.3239 18.60882
234.8060 18.23199
235.2881 17.73335
235.7702 17.11876
236.2523 16.53652
236.7345 16.04845
237.2166 15.68476
237.6987 15.49798
238.1808 15.52991
238.6629 15.53864
239.1451 15.17062
239.6272 14.35059
240.1093 13.76250
240.5914 13.67010
241.0735 13.70061
241.5556 13.70059
242.0378 13.66515
242.5199 13.62669
243.0020 13.59820
243.4841 13.56667
243.9662 13.40615
244.4483 12.97263
244.9305 12.55038
245.4126 12.34486
245.8947 12.39007
246.3768 12.51082
246.8589 12.45695
247.3410 12.14779
247.8232 11.88669
248.3053 11.60890
248.7874 11.43106
249.2695 11.53909
249.7516 11.92752
250.2337 12.32240
250.7159 12.27858
251.1980 11.48302
251.6801 11.09965
252.1622 11.51674
252.6443 12.03142
253.1264 12.26112
253.6086 12.15031
254.0907 11.85102
254.5728 11.51476
255.0549 11.04121
255.5370 10.84033
256.0191 11.22099
256.5013 11.59502
256.9834 11.62222
257.4655 11.28196
257.9476 10.77213
258.4297 10.28150
258.9118 9.734550
259.3940 9.561096
259.8761 9.978943
260.3582 10.47990
260.8403 10.87995
261.3224 11.13890
261.8045 11.23965
262.2867 11.13265
262.7688 10.75945
263.2509 10.58938
263.7330 10.65779
264.2151 10.84260
264.6972 11.22266
265.1794 11.71027
265.6615 12.04380
266.1436 11.98829
266.6257 11.52076
267.1078 11.10435
267.5899 10.67244
268.0721 10.34457
268.5542 10.20638
269.0363 10.21013
269.5184 10.24012
270.0005 10.22093
270.4826 10.15838
270.9648 10.13056
271.4469 10.19559
271.9290 10.22683
272.4111 10.13500
272.8932 9.963165
273.3753 9.827393
273.8575 9.802013
274.3396 9.869659
274.8217 9.930561
275.3038 10.04245
275.7859 10.08587
276.2680 10.03069
276.7502 9.876385
277.2323 9.585144
277.7144 9.100044
278.1965 8.534851
278.6786 8.264988
279.1607 8.425961
279.6429 8.573746
280.1250 8.633270
280.6071 8.587448
281.0892 8.369579
281.5713 7.920109
282.0534 7.392708
282.5356 7.120583
283.0177 7.173561
283.4998 7.177402
283.9819 7.030643
284.4640 6.780174
284.9461 6.472519
285.4283 6.107357
285.9104 5.766720
286.3925 5.604546
286.8746 5.640984
287.3567 5.584263
287.8388 5.242168
288.3210 4.828144
288.8031 4.659767
289.2852 4.809967
289.7673 5.024204
290.2494 5.044491
290.7315 4.878819
291.2137 4.631630
291.6958 4.128128
292.1779 3.651680
292.6600 3.621689
293.1421 4.089664
293.6242 4.505901
294.1064 4.370831
294.5885 3.772984
295.0706 3.248634
295.5527 2.805080
296.0348 2.485817
296.5169 2.360962
296.9991 2.425961
297.4812 2.552536
297.9633 2.725639
298.4454 2.890118
298.9275 2.891239
299.4096 2.585552
299.8918 2.258739
300.3739 2.136242
300.8560 2.194172
301.3381 2.266899
301.8202 2.312977
302.3023 2.341732
302.7845 2.358341
303.2666 2.295971
303.7487 2.291615
304.2308 2.328709
304.7129 2.454533
305.1950 2.998833
305.6772 4.395264
306.1593 5.782925
306.6414 5.788975
307.1235 4.316040
307.6056 2.906738
308.0877 2.219547
308.5699 2.056850
309.0520 1.981804
309.5341 1.908772
310.0162 1.932816
310.4983 2.258781
310.9804 2.829609
311.4626 3.237324
311.9447 3.226379
312.4268 3.014198
312.9089 2.951752
313.3910 3.100544
313.8731 3.255630
314.3553 3.184895
314.8374 2.969879
315.3195 2.877274
315.8016 3.066868
316.2837 3.349888
316.7658 3.538601
317.2480 3.618729
317.7301 3.558445
318.2122 3.228294
318.6943 2.782509
319.1764 2.585236
319.6585 2.792236
320.1407 3.152489
320.6228 3.477146
321.1049 3.705414
321.5870 3.778660
322.0691 3.669262
322.5512 3.455959
323.0334 3.221962
323.5155 2.926567
323.9976 2.748341
324.4797 2.812298
324.9618 3.064964
325.4439 3.390560
325.9261 3.829117
326.4082 4.193481
326.8903 4.178791
327.3724 3.795235
327.8545 3.409031
328.3366 3.081676
328.8188 2.851440
329.3009 2.828369
329.7830 3.066311
330.2651 3.330784
330.7472 3.376907
331.2293 3.242569
331.7115 3.120991
332.1936 3.089836
332.6757 3.062130
333.1578 2.893757
333.6399 2.578945
334.1220 2.362221
334.6042 2.446552
335.0863 2.761333
335.5684 2.996574
336.0505 3.189110
336.5326 3.255318
337.0147 3.061440
337.4969 2.665798
337.9790 2.328102
338.4611 2.155041
338.9432 2.123474
339.4253 2.197094
339.9074 2.452129
340.3896 2.608242
340.8717 2.468243
341.3538 2.163406
341.8359 1.982109
342.3180 2.030796
342.8001 2.124851
343.2822 1.933022
343.7643 1.407394
344.2465 1.110298
344.7286 1.389111
345.2107 1.825886
345.6928 1.900997
346.1749 1.545990
346.6570 1.158535
347.1392 1.139523
347.6213 1.497974
348.1034 1.584049
348.5855 1.160320
349.0676 0.6616100
349.5497 0.3206480
350.0319 0.1447030
350.5140 0.1289290
350.9961 0.3233110
351.4782 0.6483920
351.9603 0.7240370
352.4424 0.3168110
352.9246 1.5430000E-02
353.4067 3.0590000E-02
353.8888 0.1342810
354.3709 0.2307050
354.8530 0.1609380
355.3351 5.6650001E-03
355.8173 8.8223003E-02
356.2994 0.1210670
356.7815 9.1018997E-02
357.2636 0.1376270
357.7457 0.3528020
358.2278 0.3643490
358.7100 0.1365090
359.1921 0.2985950
359.6742 0.9585910
360.1563 1.934711
360.6384 2.523968
361.1205 2.606339
361.6027 2.459618
362.0848 2.127529
362.5669 1.679939
363.0490 1.243488
363.5311 0.8914490
364.0132 0.6319200
364.4954 0.5586740
364.9775 0.8646770
365.4596 1.129841
365.9417 1.223881
366.4238 1.237034
366.9059 1.308208
367.3881 1.493855
367.8702 1.727962
368.3523 1.875011
368.8344 1.891415
369.3165 1.879688
369.7986 1.834850
370.2808 1.771561
370.7629 1.688328
371.2450 1.590473
371.7271 1.498093
372.2092 1.432877
372.6913 1.393616
373.1735 1.389435
373.6556 1.536217
374.1377 1.598064
374.6198 1.421455
375.1019 1.095596
375.5840 0.7902980
376.0662 0.6008830
376.5483 0.5437850
377.0304 0.7389870
377.5125 1.688381
377.9946 2.134727
378.4767 1.512890
378.9589 0.5165980
379.4410 0.1792450
379.9231 0.3499570
380.4052 0.2154500
380.8873 7.8608997E-02
381.3694 8.7298997E-02
381.8516 0.1655160
382.3337 0.1452480
382.8158 3.4511998E-02
383.2979 0.1972730
383.7800 0.5307350
384.2621 0.8967170
384.7443 1.269535
385.2264 1.636230
385.7085 1.855564
386.1906 1.786053
386.6727 1.774521
387.1548 1.889069
387.6370 2.158081
388.1191 2.647953
388.6012 3.436848
389.0833 4.358463
389.5654 5.144638
390.0475 5.803593
390.5297 6.288677
391.0118 6.430019
391.4939 6.478561
391.9760 6.587757
392.4581 6.778271
392.9402 7.117699
393.4224 7.653534
393.9045 8.382782
394.3866 9.365761
394.8687 10.86662
395.3508 12.18089
395.8329 12.55045
396.3151 12.24618
396.7972 12.14417
397.2793 12.70926
397.7614 13.60268
398.2435 14.29607
398.7256 14.75153
399.2078 15.40778
399.6899 16.66364
400.1720 18.22531
400.6541 19.43901
401.1362 20.12298
401.6183 20.73860
402.1005 21.52653
402.5826 22.45583
403.0647 23.44776
403.5468 24.47868
404.0289 25.54533
404.5110 26.68553
404.9932 27.91596
405.4753 29.05027
405.9574 29.78523
406.4395 30.56535
406.9216 31.85114
407.4037 33.66779
407.8859 35.73027
408.3680 37.86774
408.8501 40.06742
409.3322 42.07853
409.8143 43.62151
410.2964 45.32770
410.7786 47.32343
411.2607 49.65570
411.7428 52.50416
412.2249 55.93893
412.7070 59.66156
413.1891 63.02441
413.6713 65.07000
414.1534 68.58253
414.6355 73.73814
415.1176 80.16395
415.5997 87.60349
416.0818 96.01569
416.5640 105.4163
417.0461 115.7422
417.5282 126.9421
418.0103 139.8242
418.4924 155.8962
418.9745 172.1161
419.4567 188.7802
419.9388 204.9524
420.4209 219.4165
420.9030 231.4784
421.3851 242.0814
421.8672 252.9755
422.3494 264.3779
422.8315 275.5397
423.3136 284.9825
423.7957 295.4011
424.2778 308.1985
424.7599 323.6141
425.2421 341.2823
425.7242 360.6112
426.2063 381.8332
426.6884 406.4769
427.1705 434.9558
427.6526 466.3785
428.1348 499.6499
428.6169 535.5064
429.0990 575.5305
429.5811 620.8452
430.0632 669.0363
430.5453 718.1487
431.0275 768.2498
431.5096 816.1083
431.9917 861.1306
432.4738 902.9664
432.9559 941.3392
433.4380 976.2894
433.9202 1011.155
434.4023 1047.029
434.8844 1083.905
435.3665 1121.617
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