#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2025-10-30 16:38:59 +0200 (Thu, 30 Oct 2025) $
#$Revision: 1380 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000574.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_1000574
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        R050342
_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_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            R050342.rod
_rod_data_source.block           3500000
_rod_database.code               1000574
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
130.1285 0.0000000E+00
130.6106 0.2363280
131.0928 3.431641
131.5749 6.111328
132.0570 7.810547
132.5391 8.378906
133.0212 5.929688
133.5033 1.521484
133.9855 0.9687500
134.4676 1.779297
134.9497 0.8281250
135.4318 3.154297
135.9139 9.810547
136.3960 16.11523
136.8782 18.12109
137.3603 14.55469
137.8424 13.42383
138.3245 15.19141
138.8066 19.53125
139.2887 26.06055
139.7709 34.61523
140.2530 45.35742
140.7351 60.64062
141.2172 79.94922
141.6993 95.74609
142.1814 103.0059
142.6636 103.5742
143.1457 103.5820
143.6278 100.7090
144.1099 102.2344
144.5920 114.9160
145.0741 138.5879
145.5563 164.8281
146.0384 187.4277
146.5205 206.3965
147.0026 221.5605
147.4847 224.6230
147.9668 229.2910
148.4490 246.6367
148.9311 277.9453
149.4132 311.8652
149.8953 329.4922
150.3774 318.7832
150.8595 316.1699
151.3417 334.9375
151.8238 355.6738
152.3059 362.2227
152.7880 348.6719
153.2701 321.1934
153.7522 295.5898
154.2344 271.6309
154.7165 250.2363
155.1986 233.3691
155.6807 218.4512
156.1628 201.1738
156.6449 178.9941
157.1271 154.6035
157.6092 139.7617
158.0913 144.0430
158.5734 145.2500
159.0555 134.0156
159.5376 114.4844
160.0198 97.79492
160.5019 90.84961
160.9840 91.16016
161.4661 88.16016
161.9482 78.88672
162.4303 69.49805
162.9125 64.28711
163.3946 63.11133
163.8767 62.91016
164.3588 62.26172
164.8409 61.35938
165.3230 60.39258
165.8052 58.70508
166.2873 57.59961
166.7694 59.97656
167.2515 67.64062
167.7336 72.58984
168.2157 64.32031
168.6979 52.99023
169.1800 52.24805
169.6621 72.42969
170.1442 103.6680
170.6263 116.1719
171.1084 94.30273
171.5906 78.38086
172.0727 87.60352
172.5548 108.7832
173.0369 122.4922
173.5190 115.1367
174.0011 90.14258
174.4833 76.71875
174.9654 86.38867
175.4475 97.22266
175.9296 106.4375
176.4117 113.3535
176.8938 117.7930
177.3760 119.4180
177.8581 118.1562
178.3402 116.6289
178.8223 111.0020
179.3044 108.8281
179.7865 116.1211
180.2687 130.0977
180.7508 142.2598
181.2329 144.8887
181.7150 136.8398
182.1971 133.2969
182.6792 130.5605
183.1614 134.4688
183.6435 152.6797
184.1256 183.7285
184.6077 214.7500
185.0898 233.5059
185.5719 238.8613
186.0540 248.5898
186.5362 269.7598
187.0183 291.6621
187.5004 304.6719
187.9825 306.8613
188.4646 302.7012
188.9467 293.1562
189.4289 279.1641
189.9110 263.8828
190.3931 247.6602
190.8752 230.6836
191.3573 212.9277
191.8394 194.1270
192.3216 175.2324
192.8037 156.3574
193.2858 137.9863
193.7679 121.4141
194.2500 110.0762
194.7321 101.4160
195.2143 84.71484
195.6964 50.00000
196.1785 23.56055
196.6606 22.66992
197.1427 39.49609
197.6248 57.00195
198.1070 63.86719
198.5891 61.16992
199.0712 60.52734
199.5533 66.10938
200.0354 68.75586
200.5175 62.50781
200.9997 50.44922
201.4818 39.45117
201.9639 35.03906
202.4460 37.31055
202.9281 40.55273
203.4102 49.31250
203.8924 54.84570
204.3745 51.36914
204.8566 41.87891
205.3387 34.14648
205.8208 35.54102
206.3029 47.53711
206.7851 55.32812
207.2672 60.31641
207.7493 60.60156
208.2314 52.30664
208.7135 37.73242
209.1956 23.38086
209.6778 15.10352
210.1599 13.59375
210.6420 13.53711
211.1241 14.84375
211.6062 17.17969
212.0883 20.51562
212.5705 24.68555
213.0526 29.82422
213.5347 37.12695
214.0168 47.13867
214.4989 47.17773
214.9810 25.01172
215.4632 3.154297
215.9453 0.2441410
216.4274 14.08984
216.9095 29.26562
217.3916 29.02148
217.8737 13.25586
218.3559 7.152344
218.8380 20.12109
219.3201 37.20703
219.8022 45.93555
220.2843 45.43555
220.7664 41.03516
221.2486 35.25586
221.7307 28.79688
222.2128 24.58008
222.6949 23.72852
223.1770 25.21875
223.6591 27.04688
224.1413 28.68164
224.6234 32.16406
225.1055 42.57812
225.5876 55.44141
226.0697 61.91992
226.5518 55.44141
227.0340 43.38672
227.5161 36.09375
227.9982 33.95703
228.4803 35.18164
228.9624 41.42773
229.4445 49.69336
229.9267 56.38867
230.4088 61.12305
230.8909 62.81641
231.3730 57.98242
231.8551 43.26562
232.3372 30.80859
232.8194 24.98438
233.3015 24.20703
233.7836 28.47852
234.2657 40.25977
234.7478 53.32422
235.2299 51.34375
235.7121 23.95703
236.1942 2.517578
236.6763 2.695313
237.1584 1.333984
237.6405 8.972656
238.1227 18.67969
238.6048 27.49609
239.0869 26.69141
239.5690 7.736328
240.0511 5.941406
240.5332 7.619141
241.0154 3.757813
241.4975 0.3398440
241.9796 8.0077998E-02
242.4617 1.394531
242.9438 1.908203
243.4259 0.6367190
243.9081 0.2851560
244.3902 0.2695310
244.8723 3.9062999E-02
245.3544 0.4843750
245.8365 1.294922
246.3186 1.097656
246.8007 3.492188
247.2829 18.73633
247.7650 29.22461
248.2471 31.02148
248.7292 29.70117
249.2113 30.93164
249.6934 36.83594
250.1756 44.39258
250.6577 47.16211
251.1398 42.31055
251.6219 35.00781
252.1040 19.33203
252.5861 4.095703
253.0683 1.613281
253.5504 4.648438
254.0325 17.30859
254.5146 27.85352
254.9967 38.56055
255.4788 41.52930
255.9610 30.22266
256.4431 15.19727
256.9252 4.363281
257.4073 0.1738280
257.8894 0.7304690
258.3716 6.943359
258.8537 23.53516
259.3358 31.21875
259.8179 19.94336
260.3000 5.873047
260.7821 5.023438
261.2643 19.67383
261.7464 37.34180
262.2285 44.04102
262.7106 36.54883
263.1927 31.93750
263.6748 30.72461
264.1570 32.15039
264.6391 37.17969
265.1212 45.46484
265.6033 52.38281
266.0854 52.64453
266.5675 45.81836
267.0497 42.61719
267.5318 46.15820
268.0139 51.33594
268.4960 54.89453
268.9781 56.53125
269.4602 55.76562
269.9424 51.38281
270.4245 43.99805
270.9066 38.42773
271.3887 38.83594
271.8708 38.13867
272.3529 26.10352
272.8351 4.308594
273.3172 7.511719
273.7993 8.568359
274.2814 42.64453
274.7635 60.81445
275.2456 53.65234
275.7278 40.37891
276.2099 32.75000
276.6920 30.44336
277.1741 31.48828
277.6562 38.05469
278.1383 45.28320
278.6204 43.39258
279.1025 28.73438
279.5847 12.86719
280.0668 0.8066410
280.5489 6.974609
281.0310 6.500000
281.5131 6.738281
281.9952 26.17578
282.4774 42.46875
282.9595 55.49219
283.4416 66.05273
283.9237 75.60156
284.4058 83.33594
284.8879 85.26953
285.3701 78.05273
285.8522 67.73047
286.3343 61.48828
286.8164 59.09375
287.2985 55.11523
287.7806 44.88477
288.2628 30.56250
288.7449 18.82812
289.2270 9.931641
289.7091 5.201172
290.1912 6.357422
290.6733 12.30469
291.1555 19.47656
291.6376 27.76758
292.1197 35.97656
292.6018 41.35156
293.0839 43.68164
293.5660 43.27344
294.0482 37.94922
294.5303 30.35742
295.0124 25.50781
295.4945 27.48633
295.9766 32.27344
296.4587 31.82422
296.9409 24.39453
297.4230 17.85156
297.9051 17.22070
298.3872 19.44727
298.8693 21.43945
299.3514 22.67188
299.8336 22.55078
300.3157 19.74805
300.7978 13.65430
301.2799 8.130859
301.7620 4.257813
302.2441 1.802734
302.7263 0.7539060
303.2084 1.166016
303.6905 2.478516
304.1726 4.556641
304.6547 7.484375
305.1368 9.664063
305.6190 12.20312
306.1011 12.41992
306.5832 6.902344
307.0653 4.279297
307.5474 14.81738
308.0295 19.78711
308.5117 19.44141
308.9938 16.72559
309.4759 9.834961
309.9580 3.063477
310.4401 1.001953
310.9222 2.606445
311.4044 2.812500
311.8865 0.1025390
312.3686 4.023438
312.8507 2.014648
313.3328 10.35645
313.8149 21.58398
314.2971 24.61816
314.7792 22.32715
315.2613 19.78613
315.7434 18.42773
316.2255 18.67383
316.7076 22.44727
317.1898 31.76660
317.6719 38.76074
318.1540 38.74121
318.6361 35.06738
319.1182 30.82031
319.6003 26.58691
320.0825 22.92969
320.5646 20.03418
321.0467 17.45508
321.5288 17.79102
322.0109 26.80371
322.4930 36.23730
322.9752 38.79492
323.4573 33.31641
323.9394 26.44141
324.4215 23.36816
324.9036 23.24414
325.3857 23.42676
325.8679 24.39453
326.3500 25.65723
326.8321 26.95605
327.3142 28.36133
327.7963 30.05566
328.2784 33.65918
328.7606 38.15625
329.2427 37.42090
329.7248 26.62891
330.2069 18.63086
330.6890 25.55762
331.1711 40.51367
331.6533 49.28418
332.1354 39.66309
332.6175 21.84082
333.0996 19.35254
333.5817 38.05078
334.0638 52.71875
334.5460 43.62500
335.0281 25.91309
335.5102 16.54688
335.9923 21.14844
336.4744 31.39062
336.9565 38.09180
337.4387 41.01758
337.9208 43.97852
338.4029 47.50000
338.8850 51.99219
339.3671 59.65137
339.8492 70.93457
340.3314 77.63184
340.8135 69.54395
341.2956 49.57812
341.7777 36.52734
342.2598 34.50000
342.7419 39.49512
343.2241 50.17383
343.7062 65.16699
344.1883 77.42285
344.6704 84.18262
345.1525 85.76758
345.6346 82.14453
346.1168 72.37500
346.5989 60.54004
347.0810 44.22754
347.5631 28.32812
348.0452 23.34375
348.5273 37.94141
349.0095 58.80469
349.4916 71.03027
349.9737 74.48926
350.4558 76.11230
350.9379 79.80859
351.4200 82.85742
351.9022 81.10156
352.3843 73.49707
352.8664 63.52832
353.3485 51.44141
353.8306 38.41895
354.3127 29.18848
354.7949 25.28418
355.2770 25.25977
355.7591 27.44043
356.2412 31.68555
356.7233 37.31445
357.2054 47.31641
357.6876 57.49219
358.1697 58.98242
358.6518 49.32422
359.1339 40.52930
359.6160 46.68555
360.0981 63.89648
360.5803 71.18164
361.0624 55.69434
361.5445 37.34082
362.0266 34.84082
362.5087 46.36133
362.9908 55.64258
363.4730 53.18945
363.9551 42.41992
364.4372 34.06445
364.9193 27.03711
365.4014 22.80469
365.8835 23.03125
366.3657 26.99512
366.8478 33.56445
367.3299 43.04004
367.8120 52.98242
368.2941 59.10059
368.7762 60.40918
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370.2226 70.85840
370.7047 62.02734
371.1868 40.86328
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372.1511 16.04785
372.6332 26.63574
373.1153 31.64746
373.5974 27.44238
374.0795 22.01270
374.5616 18.61621
375.0438 17.09375
375.5259 16.74512
376.0080 17.43066
376.4901 18.41992
376.9722 17.10547
377.4543 9.791992
377.9365 4.824219
378.4186 5.027344
378.9007 6.963867
379.3828 6.913086
379.8649 3.814453
380.3470 1.159180
380.8292 6.924805
381.3113 16.10059
381.7934 17.62402
382.2755 3.644531
382.7576 10.18359
383.2397 14.63672
383.7219 10.67285
384.2040 4.284180
384.6861 0.1083980
385.1682 1.946289
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386.1324 6.206055
386.6146 8.372070
387.0967 10.48047
387.5788 12.58203
388.0609 15.08887
388.5430 18.14062
389.0251 20.87695
389.5073 21.56152
389.9894 19.54492
390.4715 16.93359
390.9536 13.37109
391.4357 9.931641
391.9178 8.153320
392.4000 7.697266
392.8821 6.211914
393.3642 0.9697270
393.8463 8.263672
394.3284 15.87500
394.8105 22.19141
395.2927 26.10156
395.7748 26.56738
396.2569 24.64746
396.7390 21.50586
397.2211 17.07715
397.7032 13.22461
398.1854 15.08594
398.6675 25.22070
399.1496 33.49121
399.6317 36.87695
400.1138 37.50781
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401.0780 34.64258
401.5602 31.18848
402.0423 24.21680
402.5244 14.47168
403.0065 10.74121
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403.9707 26.10547
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407.3456 68.87695
407.8277 88.69434
408.3098 89.69824
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409.2740 59.03027
409.7561 31.08105
410.2383 9.833984
410.7204 8.962891
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411.6846 35.98730
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413.1310 49.20117
413.6131 41.72363
414.0952 37.51953
414.5773 39.49316
415.0594 44.58105
415.5415 50.54395
416.0237 57.12305
416.5058 64.10742
416.9879 71.43750
417.4700 79.03320
417.9521 86.57422
418.4342 93.65234
418.9164 101.0762
419.3985 107.1064
419.8806 114.1416
420.3627 128.4121
420.8448 151.7314
421.3269 174.4092
421.8091 180.4863
422.2912 158.4619
422.7733 153.3193
423.2554 176.1553
423.7375 204.6533
424.2196 228.8516
424.7018 247.0918
425.1839 259.4531
425.6660 265.5059
426.1481 266.2695
426.6302 268.5322
427.1123 273.1904
427.5945 278.5947
428.0766 281.6582
428.5587 286.8584
429.0408 298.9248
429.5229 319.2070
430.0050 345.2158
430.4872 374.3799
430.9693 407.6211
431.4514 439.8984
431.9335 465.9639
432.4156 496.1201
432.8977 538.0977
433.3799 587.9121
433.8620 634.7646
434.3441 668.1826
434.8262 696.6982
435.3083 748.2715
435.7904 832.8398
436.2726 912.3066
436.7547 964.1611
437.2368 1009.754
437.7189 1067.105
438.2010 1139.603
438.6831 1220.458
439.1653 1299.925
439.6474 1381.383
440.1295 1482.852
440.6116 1606.007
441.0937 1750.295
441.5758 1915.812
442.0580 2100.466
442.5401 2304.984
443.0222 2540.462
443.5043 2787.593
443.9864 3036.083
444.4685 3283.107
444.9507 3513.151
445.4328 3717.553
445.9149 3901.424
446.3970 4072.418
446.8791 4222.725
447.3612 4383.599
447.8434 4564.622
448.3255 4760.677
448.8076 4963.364
449.2897 5172.665
449.7718 5398.795
450.2539 5655.438
450.7361 5945.865
451.2182 6216.558
451.7003 6466.311
452.1824 6700.924
452.6645 6925.713
453.1466 7137.482
453.6288 7322.628
454.1109 7475.594
454.5930 7616.056
455.0751 7780.053
455.5572 7941.148
456.0393 8184.223
456.5215 8506.024
457.0036 8896.901
457.4857 9368.236
457.9678 9906.337
458.4499 10488.90
458.9320 11116.71
459.4142 11767.67
459.8963 12335.07
460.3784 12897.21
460.8605 13216.91
461.3426 13302.66
461.8247 13118.94
462.3069 12592.06
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1282.387 0.0000000E+00
