#\#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/1/00/03/1000396.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_1000396
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 other
_raman_measurement_device.excitation_laser_wavelength 532
_raman_measurement_device.configuration simple
_raman_measurement_device.resolution 4
_raman_measurement_device.power_on_sample 15
_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               1000396
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
130.4407 0.0000000E+00
130.9229 10.37109
131.4050 4.703613
131.8871 33.42236
132.3692 109.3574
132.8513 199.7983
133.3334 294.5820
133.8156 357.7334
134.2977 380.1372
134.7798 384.9546
135.2619 385.4561
135.7440 383.3203
136.2261 379.0479
136.7083 374.4829
137.1904 367.0161
137.6725 367.0806
138.1546 393.4663
138.6367 454.5806
139.1188 495.7515
139.6010 497.5449
140.0831 459.9121
140.5652 438.8540
141.0473 439.5933
141.5294 448.8618
142.0115 446.7471
142.4937 423.2256
142.9758 411.9067
143.4579 429.5283
143.9400 488.4429
144.4221 511.7007
144.9042 479.6475
145.3864 423.3594
145.8685 396.7383
146.3506 413.8545
146.8327 440.4023
147.3148 467.9658
147.7969 504.0210
148.2791 523.1753
148.7612 509.0059
149.2433 479.5918
149.7254 477.3032
150.2075 540.9370
150.6896 597.7007
151.1718 620.0249
151.6539 578.9951
152.1360 546.7334
152.6181 530.3604
153.1002 524.5957
153.5823 513.6533
154.0645 493.1313
154.5466 469.6025
155.0287 445.9180
155.5108 415.3354
155.9929 392.5054
156.4750 385.0576
156.9572 388.7632
157.4393 386.6929
157.9214 366.4507
158.4035 344.5869
158.8856 331.4834
159.3677 340.7539
159.8499 347.1934
160.3320 340.7192
160.8141 323.7676
161.2962 310.6953
161.7783 312.2090
162.2604 317.2729
162.7426 316.7778
163.2247 301.3438
163.7068 285.7334
164.1889 277.9502
164.6710 277.4165
165.1531 275.0605
165.6353 263.7012
166.1174 249.1704
166.5995 237.8813
167.0816 232.4248
167.5637 229.5249
168.0458 229.6475
168.5280 227.7466
169.0101 226.7886
169.4922 237.2012
169.9743 252.4878
170.4564 263.2354
170.9385 260.3511
171.4207 254.4180
171.9028 257.6719
172.3849 271.1284
172.8670 280.0225
173.3491 267.3232
173.8312 242.1133
174.3134 222.2471
174.7955 218.0220
175.2776 222.6157
175.7597 228.0713
176.2418 233.9370
176.7239 242.5591
177.2061 263.0205
177.6882 291.5991
178.1703 308.5923
178.6524 309.2910
179.1345 298.2549
179.6166 282.2451
180.0988 257.9644
180.5809 230.4707
181.0630 197.6968
181.5451 163.2446
182.0272 142.7524
182.5093 151.3389
182.9915 179.3623
183.4736 205.2700
183.9557 230.0420
184.4378 247.6372
184.9199 245.4736
185.4020 228.2861
185.8842 218.8052
186.3663 245.2793
186.8484 298.2798
187.3305 323.9775
187.8126 322.2373
188.2947 301.2905
188.7769 275.0352
189.2590 244.0708
189.7411 212.4648
190.2232 176.7749
190.7053 139.7656
191.1874 120.5688
191.6696 124.2524
192.1517 139.3062
192.6338 145.8184
193.1159 143.6641
193.5980 137.0264
194.0801 125.9614
194.5623 111.0127
195.0444 100.7510
195.5265 97.19482
196.0086 96.80859
196.4907 88.88086
196.9728 71.52490
197.4550 61.84277
197.9371 78.35205
198.4192 121.7744
198.9013 143.8193
199.3834 137.1494
199.8655 110.1934
200.3477 79.49023
200.8298 43.10156
201.3119 12.16553
201.7940 7.054199
202.2761 14.23682
202.7582 10.70264
203.2404 9.722656
203.7225 36.29980
204.2046 34.45508
204.6867 3.856445
205.1688 42.80469
205.6509 59.37354
206.1331 50.39990
206.6152 34.48975
207.0973 10.52979
207.5794 15.86426
208.0615 27.88525
208.5436 20.77832
209.0258 10.67383
209.5079 9.257813
209.9900 19.42676
210.4721 23.65039
210.9542 17.64893
211.4363 5.641113
211.9185 3.060059
212.4006 13.60449
212.8827 25.47900
213.3648 31.35352
213.8469 30.42090
214.3290 26.38965
214.8112 17.78467
215.2933 6.400879
215.7754 0.2817380
216.2575 3.572266
216.7396 0.2192380
217.2217 16.93408
217.7038 56.07178
218.1860 78.01318
218.6681 75.21729
219.1502 54.02100
219.6323 36.21045
220.1144 20.53174
220.5965 10.70215
221.0787 11.15234
221.5608 29.13672
222.0429 37.60547
222.5250 32.68311
223.0071 17.45410
223.4892 1.477051
223.9714 20.63770
224.4535 35.02148
224.9356 31.45703
225.4177 2.474609
225.8998 24.07080
226.3819 28.38916
226.8641 19.38623
227.3462 9.286621
227.8283 5.245605
228.3104 15.94043
228.7925 17.62695
229.2746 4.918457
229.7568 4.455566
230.2389 8.562988
230.7210 9.170898
231.2031 11.45605
231.6852 14.90234
232.1673 20.67969
232.6495 30.43164
233.1316 49.71094
233.6137 59.74023
234.0958 54.45215
234.5779 40.67676
235.0600 39.66943
235.5422 65.56641
236.0243 83.86377
236.5064 75.32471
236.9885 15.48975
237.4706 15.14404
237.9527 0.9599610
238.4349 38.59717
238.9170 53.05957
239.3991 23.52588
239.8812 3.101563
240.3633 2.780273
240.8454 49.08740
241.3276 65.61914
241.8097 25.54150
242.2918 42.25439
242.7739 73.03955
243.2560 49.49512
243.7381 15.62549
244.2203 13.50000
244.7024 38.33594
245.1845 57.34033
245.6666 71.12451
246.1487 78.81250
246.6308 77.51270
247.1130 59.42285
247.5951 45.19385
248.0772 44.15723
248.5593 62.61230
249.0414 70.60205
249.5235 63.26953
250.0057 48.43115
250.4878 38.95020
250.9699 36.98486
251.4520 36.31348
251.9341 33.63916
252.4162 26.64209
252.8984 30.40430
253.3805 53.10693
253.8626 80.37012
254.3447 88.69775
254.8268 67.50342
255.3089 49.40479
255.7911 43.87354
256.2732 52.01270
256.7553 63.68994
257.2374 81.28271
257.7195 100.1738
258.2017 116.4072
258.6838 134.6831
259.1659 139.2954
259.6480 120.0464
260.1301 75.42090
260.6122 55.42578
261.0944 69.80762
261.5765 92.63184
262.0586 94.74268
262.5407 69.66357
263.0228 40.32910
263.5049 8.851563
263.9871 23.35059
264.4692 39.55371
264.9513 37.29980
265.4334 21.96338
265.9155 2.016113
266.3976 38.68945
266.8798 67.28076
267.3619 80.71533
267.8440 81.64893
268.3261 91.79980
268.8082 115.3140
269.2903 139.1958
269.7725 155.7383
270.2546 167.1016
270.7367 157.2485
271.2188 112.7183
271.7009 47.05469
272.1830 21.21533
272.6652 45.44971
273.1473 82.20264
273.6294 108.9546
274.1115 125.3926
274.5936 130.8125
275.0757 120.5918
275.5579 102.1333
276.0400 98.67383
276.5221 113.6890
277.0042 129.3691
277.4863 135.4419
277.9684 131.4087
278.4506 121.7471
278.9327 102.0498
279.4148 82.82227
279.8969 93.90625
280.3790 141.0811
280.8611 178.6279
281.3433 174.4805
281.8254 128.3906
282.3075 102.6533
282.7896 104.8066
283.2717 121.8857
283.7538 129.6602
284.2360 128.6104
284.7181 124.6348
285.2002 117.7227
285.6823 108.5078
286.1644 106.2275
286.6465 113.3926
287.1287 123.5176
287.6108 130.2520
288.0929 133.9141
288.5750 128.4961
289.0571 103.9375
289.5392 68.22070
290.0214 61.38477
290.5035 88.61523
290.9856 120.8418
291.4677 124.2334
291.9498 103.5234
292.4319 87.53125
292.9141 85.79199
293.3962 94.02441
293.8783 107.8330
294.3604 127.4014
294.8425 136.9756
295.3246 111.9521
295.8068 64.69336
296.2889 31.03027
296.7710 19.49219
297.2531 24.68262
297.7352 44.21484
298.2173 78.28027
298.6995 107.8037
299.1816 115.8398
299.6637 111.8037
300.1458 112.6797
300.6279 126.7275
301.1100 141.5605
301.5922 131.8359
302.0743 103.4424
302.5564 82.12109
303.0385 94.07324
303.5206 118.1982
304.0027 122.9805
304.4849 100.9229
304.9670 79.84863
305.4491 96.59277
305.9312 135.9004
306.4133 161.2080
306.8954 138.4551
307.3776 101.5254
307.8597 87.05762
308.3418 99.15430
308.8239 113.8594
309.3060 116.4521
309.7881 109.7480
310.2703 97.95020
310.7524 69.73340
311.2345 46.68750
311.7166 49.73633
312.1987 78.13672
312.6808 104.7500
313.1630 116.6377
313.6451 117.9453
314.1272 113.0537
314.6093 86.37500
315.0914 69.59180
315.5735 95.42285
316.0557 153.9111
316.5378 183.7305
317.0199 121.1533
317.5020 41.91406
317.9841 1.954102
318.4662 38.53223
318.9484 79.85547
319.4305 106.0898
319.9126 119.7236
320.3947 127.2461
320.8768 137.3457
321.3589 136.2949
321.8411 110.6201
322.3232 40.33105
322.8053 5.416016
323.2874 2.470703
323.7695 41.05957
324.2516 72.88477
324.7338 96.39453
325.2159 106.9736
325.6980 98.93359
326.1801 66.23340
326.6622 41.28125
327.1443 28.28223
327.6265 23.04980
328.1086 21.44531
328.5907 22.16504
329.0728 28.59375
329.5549 46.16113
330.0370 74.55859
330.5192 85.73535
331.0013 64.85840
331.4834 39.13867
331.9655 27.27539
332.4476 36.34277
332.9297 47.67578
333.4119 63.14355
333.8940 79.99512
334.3761 84.96387
334.8582 70.88574
335.3403 54.57129
335.8224 46.98633
336.3046 52.40723
336.7867 52.77734
337.2688 44.65039
337.7509 33.55859
338.2330 33.75977
338.7151 51.93945
339.1973 60.84375
339.6794 43.48242
340.1615 2.317383
340.6436 17.96484
341.1257 5.095703
341.6078 40.20605
342.0899 54.09570
342.5721 45.55469
343.0542 29.34375
343.5363 3.720703
344.0184 25.51562
344.5005 27.32812
344.9826 1.963867
345.4648 31.95020
345.9469 23.26562
346.4290 16.62891
346.9111 24.18262
347.3932 25.38281
347.8753 95.80859
348.3575 107.7158
348.8396 66.12793
349.3217 30.73145
349.8038 57.26660
350.2859 119.1348
350.7680 148.5020
351.2502 132.4277
351.7323 102.1855
352.2144 92.85254
352.6965 98.89844
353.1786 103.7490
353.6607 104.2881
354.1429 96.56445
354.6250 66.28320
355.1071 12.41602
355.5892 26.15723
356.0713 3.693359
356.5534 49.59668
357.0356 89.01465
357.5177 92.36816
357.9998 81.38672
358.4819 68.02539
358.9640 52.51074
359.4461 36.28027
359.9283 2.731445
360.4104 22.04004
360.8925 11.79004
361.3746 66.58496
361.8567 133.1084
362.3388 146.5107
362.8210 123.6475
363.3031 103.4248
363.7852 103.0410
364.2673 103.8857
364.7494 95.92383
365.2315 74.52930
365.7137 57.43848
366.1958 48.31738
366.6779 45.34473
367.1600 46.35449
367.6421 55.20508
368.1242 63.81152
368.6064 73.39746
369.0885 84.41895
369.5706 83.72949
370.0527 51.67383
370.5348 23.21973
371.0169 24.03027
371.4991 92.27344
371.9812 123.5205
372.4633 92.87793
372.9454 21.03711
373.4275 18.53906
373.9096 16.16113
374.3918 1.235352
374.8739 24.83789
375.3560 59.25977
375.8381 78.97363
376.3202 84.28613
376.8023 78.45117
377.2845 64.87012
377.7666 41.39551
378.2487 21.69434
378.7308 9.189453
379.2129 4.000977
379.6950 11.60156
380.1772 34.55469
380.6593 55.81543
381.1414 58.71777
381.6235 46.24805
382.1056 43.79785
382.5877 60.14648
383.0699 84.57031
383.5520 100.3535
384.0341 107.3994
384.5162 102.7930
384.9983 74.60645
385.4804 34.70996
385.9626 5.772461
386.4447 11.24805
386.9268 10.17285
387.4089 38.37402
387.8910 110.5479
388.3731 151.6738
388.8553 107.1572
389.3374 39.52832
389.8195 11.33789
390.3016 21.61621
390.7837 33.06348
391.2658 14.87402
391.7480 10.80859
392.2301 20.07617
392.7122 4.849609
393.1943 31.98047
393.6764 50.99316
394.1585 61.10059
394.6407 59.60352
395.1228 29.55566
395.6049 0.6787110
396.0870 11.68652
396.5691 1.946289
397.0512 12.48047
397.5334 37.01562
398.0155 60.65332
398.4976 70.82617
398.9797 50.47070
399.4618 37.50293
399.9439 44.09180
400.4261 69.98047
400.9082 78.90234
401.3903 51.96777
401.8724 23.53613
402.3545 21.20508
402.8366 71.16895
403.3188 92.16309
403.8009 63.71582
404.2830 7.870117
404.7651 10.21289
405.2472 25.56445
405.7293 61.51660
406.2115 74.83887
406.6936 64.65820
407.1757 60.40625
407.6578 63.56836
408.1399 69.03223
408.6220 70.26562
409.1042 67.43457
409.5863 67.19629
410.0684 72.29004
410.5505 80.31445
411.0326 88.14258
411.5147 95.62012
411.9969 97.14453
412.4790 82.13086
412.9611 58.42188
413.4432 43.76367
413.9253 44.49902
414.4074 55.30859
414.8896 79.09277
415.3717 108.5195
415.8538 125.9697
416.3359 110.0244
416.8180 86.49805
417.3001 80.13184
417.7823 90.47363
418.2644 99.97754
418.7465 108.1670
419.2286 110.3799
419.7107 98.12207
420.1928 43.91406
420.6750 9.373047
421.1571 39.14746
421.6392 108.0039
422.1213 149.7305
422.6034 112.3340
423.0855 73.69238
423.5677 69.14746
424.0498 113.6729
424.5319 148.3389
425.0140 171.4990
425.4961 181.9326
425.9782 177.1611
426.4604 134.2471
426.9425 110.2324
427.4246 116.7148
427.9067 150.2793
428.3888 187.4287
428.8709 232.4785
429.3531 273.4463
429.8352 300.9639
430.3173 309.3955
430.7994 334.2051
431.2815 383.0820
431.7636 435.2598
432.2458 445.5410
432.7279 409.5654
433.2100 388.8896
433.6921 406.0654
434.1742 455.1670
434.6563 519.9951
435.1385 602.0029
435.6206 681.9043
436.1027 746.4404
436.5848 796.3906
437.0669 829.0176
437.5490 835.8164
438.0312 846.4180
438.5133 894.1523
438.9954 973.4678
439.4775 1068.751
439.9596 1180.866
440.4417 1300.944
440.9239 1419.562
441.4060 1536.623
441.8881 1662.049
442.3702 1791.970
442.8523 1935.036
443.3344 2101.065
443.8166 2292.461
444.2987 2507.564
444.7808 2773.499
445.2629 3067.375
445.7450 3322.557
446.2271 3462.244
446.7093 3609.607
447.1914 3813.585
447.6735 4093.574
448.1556 4374.857
448.6377 4662.889
449.1198 4945.723
449.6020 5211.381
450.0841 5445.577
450.5662 5682.417
451.0483 5935.619
451.5304 6195.350
452.0125 6403.364
452.4947 6552.042
452.9768 6678.025
453.4589 6791.896
453.9410 6893.371
454.4231 7022.281
454.9052 7178.320
455.3874 7369.225
455.8695 7605.037
456.3516 7887.113
456.8337 8215.071
457.3158 8595.774
457.7979 9021.113
458.2801 9515.562
458.7622 10062.24
459.2443 10562.91
459.7264 11027.83
460.2085 11379.69
460.6906 11524.27
461.1728 11459.11
461.6549 11140.84
462.1370 10467.50
462.6191 9538.719
463.1012 8513.081
463.5833 7307.532
464.0655 6148.591
464.5476 5116.109
465.0297 4218.791
465.5118 3472.438
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1232.077 103.5713
1232.559 78.20117
1233.042 56.45215
1233.524 40.97461
1234.006 39.04883
1234.488 58.26465
1234.970 89.64941
1235.452 145.4814
1235.934 187.1357
1236.416 141.8896
1236.898 49.96875
1237.381 0.3476560
1237.863 2.001953
1238.345 7.830078
1238.827 33.38965
1239.309 46.21289
1239.791 35.48926
1240.273 24.76270
1240.755 64.05664
1241.238 117.5332
1241.720 108.4189
1242.202 36.36426
1242.684 5.832031
1243.166 18.04395
1243.648 31.80664
1244.130 16.37988
1244.612 1.025391
1245.094 24.82910
1245.577 64.07031
1246.059 73.63379
1246.541 56.32031
1247.023 51.40723
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1247.987 84.23633
1248.469 104.1670
1248.951 115.9131
1249.433 97.10059
1249.916 69.10645
1250.398 58.17773
1250.880 65.94629
1251.362 71.19434
1251.844 72.75977
1252.326 69.85449
1252.808 68.56641
1253.290 62.96484
1253.773 38.15430
1254.255 16.15723
1254.737 26.12500
1255.219 64.80371
1255.701 81.10742
1256.183 72.28027
1256.665 66.36719
1257.147 71.00684
1257.630 72.38086
1258.112 54.93652
1258.594 31.02441
1259.076 4.300781
1259.558 37.92285
1260.040 7.416992
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1261.004 182.0791
1261.486 103.2100
1261.969 18.51562
1262.451 8.976563
1262.933 35.02734
1263.415 69.38379
1263.897 111.9756
1264.379 160.7803
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1265.343 198.3604
1265.825 105.6357
1266.308 31.14746
1266.790 52.07812
1267.272 87.12891
1267.754 98.08691
1268.236 91.87500
1268.718 81.88574
1269.200 72.94824
1269.682 89.81055
1270.165 142.0928
1270.647 165.9180
1271.129 97.54492
1271.611 59.06152
1272.093 68.44141
1272.575 96.60449
1273.057 84.06934
1273.539 46.99219
1274.021 25.03613
1274.504 24.80078
1274.986 36.14648
1275.468 70.18750
1275.950 82.29492
1276.432 51.16113
1276.914 11.74219
1277.396 21.81055
1277.878 52.82910
1278.360 60.00391
1278.843 36.14648
1279.325 18.67090
1279.807 10.08887
1280.289 4.755859
1280.771 0.3046880
1281.253 0.2119140
1281.735 0.0000000E+00
