#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:34:30 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1157 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000576.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_1000576
loop_
_publ_author_name
'Colville, A. A.'
'Staudhammer, K.'
_publ_section_title
;
 A refinement of the structure of barite from Cow Green mine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1877
_journal_page_last               1880
_journal_volume                  52
_journal_year                    1967
_chemical_compound_source        R050375
_chemical_formula_structural     Ba(SO4)
_chemical_formula_sum            'Ba O4 S'
_chemical_name_mineral           Baryte
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.884
_cell_length_b                   5.458
_cell_length_c                   7.153
_cell_volume                     346.841
_exptl_crystal_density_diffrn    4.470
_cod_original_formula_sum        'Ba S O4'
_cod_related_entry               9000159
_cod_database_code               9014007
_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            R050375.rod
_rod_data_source.block           3500000
_rod_database.code               1000576
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 9014007 COD http://www.crystallography.net/cod/9014007.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
137.3603 0.0000000E+00
137.8424 9.3383998E-02
138.3245 7.1250997E-02
138.8066 0.1228790
139.2887 0.7644880
139.7709 1.860794
140.2530 3.280060
140.7351 4.774986
141.2172 6.326698
141.6993 8.472771
142.1814 11.57362
142.6636 15.44645
143.1457 19.51469
143.6278 23.72065
144.1099 28.07858
144.5920 32.61186
145.0741 37.23129
145.5563 41.83006
146.0384 46.76245
146.5205 52.25751
147.0026 56.13893
147.4847 57.51811
147.9668 57.42812
148.4490 56.09850
148.9311 53.64054
149.4132 50.33813
149.8953 46.60470
150.3774 42.09779
150.8595 38.41417
151.3417 36.22703
151.8238 34.02762
152.3059 31.67174
152.7880 29.13021
153.2701 26.20493
153.7522 23.81705
154.2344 22.22794
154.7165 21.05522
155.1986 20.54021
155.6807 20.35719
156.1628 20.17012
156.6449 19.83046
157.1271 19.30557
157.6092 18.42424
158.0913 17.18137
158.5734 15.66319
159.0555 13.69413
159.5376 11.43432
160.0198 9.320915
160.5019 7.631935
160.9840 6.251053
161.4661 4.701508
161.9482 2.584450
162.4303 0.7098160
162.9125 0.2559890
163.3946 0.3460460
163.8767 0.3085100
164.3588 0.6624450
164.8409 1.128937
165.3230 1.211197
165.8052 0.5915300
166.2873 0.2328870
166.7694 0.4439850
167.2515 0.2568280
167.7336 0.5266270
168.2157 0.7283550
168.6979 2.649063
169.1800 4.271645
169.6621 5.181168
170.1442 5.548058
170.6263 6.079826
171.1084 6.821693
171.5906 7.476059
172.0727 8.245995
172.5548 8.694138
173.0369 9.116188
173.5190 9.768936
174.0011 10.57967
174.4833 11.25794
174.9654 11.60922
175.4475 11.94791
175.9296 12.33298
176.4117 12.65562
176.8938 13.34650
177.3760 14.85259
177.8581 16.62500
178.3402 18.07272
178.8223 18.76811
179.3044 19.62837
179.7865 20.97678
180.2687 22.92600
180.7508 25.20868
181.2329 27.49310
181.7150 29.89280
182.1971 32.77489
182.6792 35.91987
183.1614 39.32076
183.6435 43.22027
184.1256 47.60630
184.6077 52.27670
185.0898 56.98300
185.5719 61.77696
186.0541 67.35597
186.5362 74.60130
187.0183 82.23403
187.5004 89.32715
187.9825 96.01341
188.4646 101.0984
188.9468 103.1247
189.4289 102.4918
189.9110 100.3424
190.3931 96.54334
190.8752 91.47019
191.3573 85.66782
191.8395 79.14878
192.3216 71.91425
192.8037 63.25446
193.2858 53.86602
193.7679 45.37524
194.2500 38.71393
194.7322 33.55170
195.2143 28.81246
195.6964 24.38436
196.1785 20.43553
196.6606 16.95795
197.1427 13.91496
197.6249 11.26511
198.1070 8.908516
198.5891 6.878540
199.0712 5.577690
199.5533 5.830559
200.0354 5.932793
200.5176 5.009758
200.9997 3.410896
201.4818 1.976219
201.9639 1.452324
202.4460 1.869560
202.9281 1.922073
203.4103 1.016655
203.8924 0.2706450
204.3745 0.2116470
204.8566 0.6324540
205.3387 0.9289700
205.8208 0.4931720
206.3030 0.8346560
206.7851 1.379837
207.2672 0.4119640
207.7493 0.5631330
208.2314 0.9358830
208.7135 0.7583080
209.1957 0.4157330
209.6778 0.2506710
210.1599 0.2899170
210.6420 0.3215100
211.1241 0.2573390
211.6062 0.2623370
212.0884 0.5618970
212.5705 1.074738
213.0526 1.396393
213.5347 1.081223
214.0168 1.8371999E-02
214.4989 0.4330290
214.9811 0.4431230
215.4632 1.322250
215.9453 1.074524
216.4274 0.2655490
216.9095 1.460655
217.3916 1.309090
217.8737 0.2219620
218.3559 1.107468
218.8380 0.8660810
219.3201 0.2652360
219.8022 0.1452100
220.2843 0.3365020
220.7664 0.2927700
221.2486 0.3058170
221.7307 1.262634
222.2128 1.651817
222.6949 0.7606120
223.1770 0.4421080
223.6591 0.7255400
224.1413 7.1732000E-02
224.6234 0.9125140
225.1055 0.9998700
225.5876 0.5970540
226.0697 0.1634750
226.5518 0.4126660
227.0340 0.9294740
227.5161 1.002350
227.9982 0.5104980
228.4803 6.7289998E-03
228.9624 0.2501370
229.4445 0.3221050
229.9267 0.3244550
230.4088 0.2383580
230.8909 0.1488190
231.3730 0.2608180
231.8551 0.6942060
232.3372 1.021339
232.8194 1.032707
233.3015 0.8628850
233.7836 0.6593780
234.2657 0.4898220
234.7478 0.3120880
235.2299 2.8380999E-02
235.7121 0.7657390
236.1942 1.166267
236.6763 0.8312450
237.1584 0.1822280
237.6405 0.3465420
238.1227 0.5651930
238.6048 0.5830540
239.0869 0.6834640
239.5690 0.9513020
240.0511 1.151550
240.5332 1.321465
241.0154 1.381416
241.4975 1.185272
241.9796 0.6659700
242.4617 4.4630002E-03
242.9438 0.3355260
243.4259 0.1656270
243.9081 6.0081001E-02
244.3902 0.3431470
244.8723 0.6239400
245.3544 0.8572010
245.8365 1.025612
246.3186 1.126190
246.8008 1.129921
247.2829 0.6897130
247.7650 0.6938630
248.2471 1.682091
248.7292 2.844406
249.2113 3.321976
249.6935 2.849533
250.1756 1.961548
250.6577 1.714027
251.1398 2.758110
251.6219 3.539413
252.1040 3.986336
252.5862 4.217186
253.0683 4.253410
253.5504 4.121613
254.0325 3.976822
254.5146 4.070221
254.9967 4.479851
255.4789 5.036797
255.9610 6.091843
256.4431 7.091637
256.9252 7.393410
257.4073 6.888588
257.8894 6.217308
258.3716 6.252625
258.8537 7.342522
259.3358 8.307732
259.8179 9.350304
260.3000 10.16988
260.7821 10.36949
261.2643 9.900307
261.7464 9.231812
262.2285 8.884354
262.7106 8.950005
263.1927 9.087234
263.6748 9.291092
264.1570 9.475433
264.6391 9.702309
265.1212 10.05914
265.6033 10.40807
266.0854 10.51510
266.5675 10.36671
267.0497 10.54825
267.5318 11.62431
268.0139 12.66116
268.4960 12.67043
268.9781 11.65686
269.4602 10.79544
269.9424 11.13065
270.4245 12.47372
270.9066 13.21599
271.3887 12.94172
271.8708 12.30720
272.3529 11.68761
272.8351 11.18121
273.3172 10.93660
273.7993 11.15311
274.2814 11.64751
274.7635 11.89771
275.2456 12.08331
275.7278 12.07445
276.2099 11.46178
276.6920 10.30742
277.1741 9.244720
277.6562 8.478371
278.1383 8.086380
278.6205 8.169273
279.1026 9.064659
279.5847 9.780571
280.0668 9.469276
280.5489 8.293358
281.0310 7.246071
281.5132 6.710152
281.9953 6.577148
282.4774 6.498482
282.9595 6.447739
283.4416 6.527512
283.9237 6.936829
284.4059 7.544769
284.8880 7.900307
285.3701 7.923981
285.8522 7.697823
286.3343 7.113609
286.8164 6.172333
287.2986 5.583237
287.7807 6.091629
288.2628 7.296318
288.7449 7.839607
289.2270 7.340401
289.7091 6.505852
290.1913 5.768700
290.6734 5.155479
291.1555 4.800705
291.6376 4.906845
292.1197 5.303444
292.6018 5.587563
293.0840 5.688278
293.5661 5.736877
294.0482 5.895470
294.5303 6.151573
295.0124 6.427917
295.4945 6.716866
295.9767 6.932999
296.4588 6.903084
296.9409 6.565483
297.4230 6.192703
297.9051 5.776787
298.3872 5.450897
298.8694 5.457542
299.3515 5.955109
299.8336 6.581421
300.3157 6.967728
300.7978 7.113380
301.2799 7.064705
301.7621 6.634560
302.2442 6.106392
302.7263 5.715874
303.2084 5.506065
303.6905 5.428055
304.1726 5.452522
304.6548 5.581940
305.1369 5.755699
305.6190 6.025139
306.1011 6.281754
306.5832 6.435219
307.0653 6.481796
307.5475 6.493225
308.0296 6.532318
308.5117 6.593956
308.9938 6.604668
309.4759 6.485939
309.9580 6.399979
310.4402 6.458382
310.9223 6.639153
311.4044 6.854492
311.8865 7.111618
312.3686 7.371521
312.8507 7.403313
313.3329 6.938782
313.8150 6.721153
314.2971 7.281319
314.7792 8.322182
315.2613 9.347252
315.7434 10.31752
316.2256 11.01479
316.7077 10.75380
317.1898 9.037979
317.6719 7.751335
318.1540 8.120178
318.6361 9.193588
319.1183 9.971031
319.6004 10.10818
320.0825 10.00587
320.5646 10.22061
321.0467 10.80760
321.5288 11.35938
322.0110 11.72346
322.4931 12.01459
322.9752 12.39703
323.4573 12.90183
323.9394 13.18931
324.4215 12.70245
324.9037 11.46809
325.3858 10.81709
325.8679 11.62730
326.3500 12.42243
326.8321 11.90761
327.3142 10.28252
327.7964 8.894630
328.2785 8.693886
328.7606 9.505295
329.2427 10.59306
329.7248 12.31762
330.2069 13.60429
330.6891 13.69226
331.1712 12.92768
331.6533 12.00187
332.1354 11.16812
332.6175 10.39745
333.0996 9.592514
333.5818 8.682610
334.0639 7.965179
334.5460 7.668221
335.0281 7.602592
335.5102 7.580688
335.9923 7.565262
336.4745 7.555687
336.9566 7.570221
337.4387 7.613106
337.9208 7.638504
338.4029 7.654266
338.8850 7.541107
339.3671 7.186882
339.8492 6.588974
340.3314 5.951683
340.8135 5.353775
341.2956 4.796967
341.7777 4.399559
342.2598 4.248985
342.7419 4.110359
343.2241 3.802040
343.7062 3.370399
344.1883 2.926460
344.6704 2.313492
345.1525 1.701637
345.6346 1.642258
346.1168 2.367203
346.5989 3.054779
347.0810 3.054253
347.5631 2.620987
348.0452 2.112755
348.5273 1.517998
349.0095 0.9157790
349.4916 0.3038330
349.9737 0.3044430
350.4558 0.4049840
350.9379 0.6255800
351.4200 2.080902
351.9022 2.762108
352.3843 2.362968
352.8664 1.806084
353.3485 1.734955
353.8306 2.003677
354.3127 2.014664
354.7949 1.541809
355.2770 0.8533940
355.7591 0.1359860
356.2412 0.6295390
356.7233 0.9340970
357.2054 0.3293000
357.6876 0.7650910
358.1697 1.767052
358.6518 2.626984
359.1339 3.224693
359.6160 3.395874
360.0981 3.182320
360.5803 2.821732
361.0624 2.064629
361.5445 1.378693
362.0266 1.284935
362.5087 1.706848
362.9908 1.972839
363.4730 1.577606
363.9551 0.8532260
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365.4014 2.805885
365.8835 3.855156
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367.3299 4.545670
367.8120 3.763687
368.2941 3.601990
368.7762 4.244377
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369.7405 4.428413
370.2226 4.039772
370.7047 3.912224
371.1868 4.096054
371.6689 4.383484
372.1511 4.627312
372.6332 4.822731
373.1153 4.801140
373.5974 4.220139
374.0795 3.778534
374.5616 3.910530
375.0438 4.459427
375.5259 5.026413
376.0080 5.407516
376.4901 5.614105
376.9722 5.672295
377.4543 5.417892
377.9365 5.228897
378.4186 5.144005
378.9007 5.142311
379.3828 5.281235
379.8649 5.553955
380.3470 5.743492
380.8292 5.513420
381.3113 4.624557
381.7934 4.027496
382.2755 3.646538
382.7576 3.575279
383.2397 4.276611
383.7219 5.424553
384.2040 5.971909
384.6861 4.964752
385.1682 2.559097
385.6503 1.284958
386.1324 2.339005
386.6146 3.260551
387.0967 3.664413
387.5788 3.689171
388.0609 3.484329
388.5430 3.116081
389.0251 2.706039
389.5073 2.544693
389.9894 2.929047
390.4715 2.919197
390.9536 1.105247
391.4357 3.7055999E-02
391.9178 2.181023
392.4000 7.262741
392.8821 11.59177
393.3642 11.19040
393.8463 5.870811
394.3284 2.033836
394.8105 0.3659440
395.2927 0.5004960
395.7748 0.6548310
396.2569 0.4333340
396.7390 0.3435590
397.2211 0.6640170
397.7032 1.203857
398.1854 1.559189
398.6675 1.730942
399.1496 1.713860
399.6317 1.224808
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402.5244 0.6475910
403.0065 0.2500610
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404.4529 0.5552220
404.9350 0.9887540
405.4171 1.195244
405.8992 0.8255160
406.3813 0.2469180
406.8635 6.9022998E-02
407.3456 0.3309710
407.8277 0.6581570
408.3098 1.038940
408.7919 1.258499
409.2740 0.9282990
409.7562 0.2387540
410.2383 1.258377
410.7204 1.306831
411.2025 0.7240980
411.6846 0.5734860
412.1667 1.226685
412.6489 2.073410
413.1310 2.272850
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414.0952 1.652504
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415.5416 3.195061
416.0237 4.026146
416.5058 4.837044
416.9879 5.504272
417.4700 6.089729
417.9521 6.934326
418.4343 8.483643
418.9164 9.717094
419.3985 9.949387
419.8806 9.818848
420.3627 10.27577
420.8448 11.62343
421.3270 13.49093
421.8091 15.36485
422.2912 17.27930
422.7733 19.06010
423.2554 20.73052
423.7375 22.25500
424.2197 23.38983
424.7018 24.31091
425.1839 25.46772
425.6660 27.15287
426.1481 29.37076
426.6302 32.25630
427.1124 36.28886
427.5945 40.43535
428.0766 44.48479
428.5587 48.61458
429.0408 52.88100
429.5229 57.34307
430.0051 62.40657
430.4872 68.71362
430.9693 76.41399
431.4514 84.59464
431.9335 92.85471
432.4156 102.0639
432.8978 112.8446
433.3799 124.9197
433.8620 137.7495
434.3441 151.1057
434.8262 164.8010
435.3083 178.1485
435.7905 190.8411
436.2726 203.9187
436.7547 217.7024
437.2368 232.1615
437.7189 247.1872
438.2010 262.7371
438.6832 279.2343
439.1653 296.5993
439.6474 315.0276
440.1295 335.6902
440.6116 358.2865
441.0938 384.0714
441.5759 414.3298
442.0580 448.3883
442.5401 485.3120
443.0222 525.3665
443.5043 567.6499
443.9865 611.8141
444.4686 657.6322
444.9507 704.4847
445.4328 751.4370
445.9149 799.9912
446.3970 853.0063
446.8792 909.4417
447.3613 971.3218
447.8434 1041.050
448.3255 1115.715
448.8076 1191.747
449.2897 1268.861
449.7719 1349.026
450.2540 1435.690
450.7361 1529.864
451.2182 1611.873
451.7003 1687.187
452.1824 1746.675
452.6646 1789.506
453.1467 1814.109
453.6288 1815.416
454.1109 1791.166
454.5930 1749.588
455.0751 1705.169
455.5573 1648.901
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