#\#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/1/00/05/1000572.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_1000572
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        R050335
_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            R050335.rod
_rod_data_source.block           3500000
_rod_database.code               1000572
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
92.52344 0.0000000E+00
93.00555 0.2081150
93.48767 1.210938
93.96979 10.93085
94.45190 23.29883
94.93402 38.14365
95.41614 51.45624
95.89825 62.91484
96.38037 73.60666
96.86249 83.59560
97.34460 93.09137
97.82672 104.3477
98.30884 113.0052
98.79095 119.2680
99.27307 122.4880
99.75519 121.8114
100.2373 116.8372
100.7194 107.8453
101.2015 98.09284
101.6837 86.27583
102.1658 74.16154
102.6479 62.99452
103.1300 52.74989
103.6121 43.87200
104.0942 37.21193
104.5764 31.79618
105.0585 27.25146
105.5406 23.84938
106.0227 21.26152
106.5048 19.02283
106.9869 16.69697
107.4691 14.54219
107.9512 12.55703
108.4333 11.35472
108.9154 10.48940
109.3975 9.094563
109.8796 7.507328
110.3618 6.374481
110.8439 6.148338
111.3260 6.012794
111.8081 5.701305
112.2902 5.183594
112.7723 4.545071
113.2544 3.855095
113.7366 3.036877
114.2187 2.223606
114.7008 1.377441
115.1829 0.6436610
115.6650 0.1997570
116.1471 0.1098250
116.6293 0.2002640
117.1114 5.4492999E-02
117.5935 0.4413530
118.0756 0.9172440
118.5577 1.301079
119.0398 1.603493
119.5220 1.864689
120.0041 2.125065
120.4862 2.318493
120.9683 2.345837
121.4504 2.185966
121.9325 1.886139
122.4147 1.372356
122.8968 0.6108470
123.3789 6.8351999E-02
123.8610 0.3652040
124.3431 0.8840520
124.8252 1.010906
125.3074 0.4726980
125.7895 0.4526710
126.2716 1.166958
126.7537 1.458652
127.2358 1.913994
127.7179 2.720779
128.2001 3.765793
128.6822 4.917393
129.1643 6.100346
129.6464 7.315231
130.1285 8.521954
130.6107 9.962761
131.0928 11.16083
131.5749 11.85528
132.0570 12.18565
132.5391 12.45219
133.0212 12.88946
133.5034 13.48561
133.9855 14.44720
134.4676 16.02378
134.9497 17.67943
135.4318 19.22502
135.9139 20.59939
136.3960 21.68671
136.8782 22.21669
137.3603 21.99596
137.8424 22.38437
138.3245 23.87954
138.8066 25.86267
139.2887 27.60378
139.7709 28.91362
140.2530 30.07872
140.7351 31.30817
141.2172 32.57259
141.6993 34.27987
142.1814 36.90155
142.6636 40.17065
143.1457 43.12350
143.6278 45.46593
144.1099 47.47525
144.5920 49.21751
145.0741 50.71775
145.5563 52.60372
146.0384 55.56880
146.5205 59.73185
147.0026 63.90118
147.4847 67.47144
147.9668 71.27235
148.4490 75.92757
148.9311 81.51498
149.4132 87.51607
149.8953 93.06250
150.3774 98.11044
150.8595 103.7490
151.3417 111.0294
151.8238 118.3430
152.3059 124.6598
152.7880 129.5183
153.2701 132.8962
153.7522 134.6579
154.2344 134.9011
154.7165 133.0061
155.1986 128.0341
155.6807 121.1604
156.1628 113.6332
156.6449 106.0342
157.1271 98.44725
157.6092 91.26698
158.0913 84.11864
158.5734 77.60793
159.0555 71.89857
159.5376 66.97450
160.0198 62.88433
160.5019 59.86555
160.9840 57.63144
161.4661 54.99797
161.9482 51.41515
162.4303 48.00994
162.9125 45.52030
163.3946 43.93307
163.8767 42.88885
164.3588 42.50102
164.8409 42.45900
165.3230 42.19533
165.8052 41.44860
166.2873 40.62037
166.7694 40.26384
167.2515 40.48029
167.7336 40.82122
168.2157 41.09726
168.6979 41.37523
169.1800 41.74020
169.6621 42.24498
170.1442 42.84033
170.6263 43.45270
171.1084 44.19798
171.5906 44.82235
172.0727 45.18384
172.5548 45.39901
173.0369 45.63814
173.5190 46.02232
174.0011 46.54059
174.4833 46.97282
174.9654 47.04852
175.4475 47.26144
175.9296 47.75535
176.4117 48.47501
176.8938 49.28777
177.3760 50.07532
177.8581 50.82849
178.3402 51.96839
178.8223 53.88582
179.3044 55.78421
179.7865 57.29401
180.2687 58.53019
180.7508 59.85239
181.2329 61.51772
181.7150 63.50681
182.1971 65.64744
182.6792 67.64399
183.1614 70.06080
183.6435 73.29881
184.1256 77.30186
184.6077 81.68119
185.0898 86.08633
185.5719 90.54103
186.0541 95.46480
186.5362 101.3543
187.0183 107.4225
187.5004 113.0370
187.9825 118.1536
188.4646 122.7197
188.9468 127.1023
189.4289 131.0166
189.9110 132.9710
190.3931 132.5318
190.8752 129.9536
191.3573 125.5089
191.8395 119.0750
192.3216 111.0668
192.8037 100.8612
193.2858 89.35650
193.7679 78.53438
194.2500 69.29476
194.7322 61.44161
195.2143 54.19957
195.6964 47.52070
196.1785 41.67899
196.6606 36.83269
197.1427 32.76114
197.6249 29.03200
198.1070 25.28475
198.5891 21.57930
199.0712 18.54952
199.5533 16.61109
200.0354 14.97028
200.5176 13.38474
200.9997 11.85366
201.4818 10.42332
201.9639 9.132622
202.4460 7.980511
202.9281 7.051331
203.4103 6.557606
203.8924 6.115959
204.3745 5.638641
204.8566 5.119576
205.3387 4.596590
205.8208 4.108154
206.3030 3.662844
206.7851 3.167887
207.2672 2.425768
207.7493 1.819162
208.2314 1.562490
208.7135 1.592422
209.1957 1.709906
209.6778 1.744780
210.1599 1.686558
210.6420 1.626205
211.1241 1.601671
211.6062 1.545551
212.0884 1.425070
212.5705 1.238264
213.0526 0.9854150
213.5347 0.6397250
214.0168 0.1845530
214.4989 7.1436003E-02
214.9811 3.6125001E-02
215.4632 0.1011560
215.9453 0.2633820
216.4274 0.4336510
216.9095 0.5523400
217.3916 0.5427860
217.8737 0.4022350
218.3559 0.3451500
218.8380 0.5545350
219.3201 0.7366240
219.8022 0.5257190
220.2843 0.1059670
220.7664 0.6422480
221.2486 0.5394650
221.7307 4.0426001E-02
222.2128 0.3811090
222.6949 0.2046780
223.1770 0.1651780
223.6591 0.3878150
224.1413 0.4485990
224.6234 0.4080790
225.1055 0.1288070
225.5876 0.2141840
226.0697 0.2515340
226.5518 0.4746880
227.0340 1.357168
227.5161 1.412565
227.9982 0.3930640
228.4803 0.5900920
228.9624 0.7896230
229.4445 0.5727960
229.9267 0.3965050
230.4088 0.4549470
230.8909 0.6016690
231.3730 0.5359920
231.8551 0.1155010
232.3372 0.1356870
232.8194 0.1515620
233.3015 0.6622980
233.7836 1.046930
234.2657 1.165028
234.7478 1.078384
235.2299 0.8825820
235.7121 0.4060840
236.1942 0.1421240
236.6763 0.4151020
237.1584 0.8656980
237.6405 1.083761
238.1227 0.8764970
238.6048 0.4141200
239.0869 9.3879998E-02
239.5690 0.1593170
240.0511 0.1207600
240.5332 0.5765610
241.0154 1.398123
241.4975 1.767080
241.9796 1.433626
242.4617 0.6675130
242.9438 0.1274010
243.4259 0.1689530
243.9081 0.2264920
244.3902 0.1110480
244.8723 0.6016450
245.3544 1.017771
245.8365 1.255468
246.3186 1.355442
246.8008 1.404966
247.2829 1.437326
247.7650 1.355631
248.2471 1.046724
248.7292 0.6910710
249.2113 0.4314350
249.6935 0.3099820
250.1756 0.3208940
250.6577 0.4623700
251.1398 0.8645570
251.6219 1.225943
252.1040 1.672905
252.5862 2.058533
253.0683 2.144033
253.5504 1.855959
254.0325 1.434849
254.5146 1.218388
254.9967 1.367950
255.4789 1.448164
255.9610 1.521889
256.4431 1.493534
256.9252 1.158052
257.4073 0.5080970
257.8894 8.4454998E-02
258.3716 0.1245210
258.8537 0.7515810
259.3358 1.282476
259.8179 1.245396
260.3000 1.034681
260.7821 0.9291320
261.2643 0.9729040
261.7464 1.121410
262.2285 1.362959
262.7106 1.751808
263.1927 1.871286
263.6748 1.550985
264.1570 1.084719
264.6391 0.5746710
265.1212 6.7553997E-02
265.6033 0.1248860
266.0854 0.4422300
266.5675 1.804493
267.0497 2.631948
267.5318 2.583515
268.0139 2.203562
268.4960 1.823709
268.9781 1.480946
269.4602 1.268267
269.9424 1.336863
270.4245 1.623119
270.9066 1.673862
271.3887 1.231646
271.8708 0.7630860
272.3529 0.6810700
272.8351 0.9603310
273.3172 1.205791
273.7993 1.127052
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274.7635 0.7933850
275.2456 1.151867
275.7278 1.503075
276.2099 1.471071
276.6920 1.112801
277.1741 0.8811210
277.6562 1.055899
278.1383 1.448799
278.6205 1.647367
279.1026 1.620941
279.5847 1.523256
280.0668 1.377142
280.5489 1.203630
281.0310 1.169878
281.5132 1.441313
281.9953 1.780123
282.4774 1.857904
282.9595 1.652153
283.4416 1.325064
283.9237 0.6153910
284.4059 0.2407610
284.8880 2.3533000E-02
285.3701 2.411739
285.8522 4.923483
286.3343 4.922251
286.8164 2.539608
287.2986 0.3594590
287.7807 1.9293001E-02
288.2628 0.9823300
288.7449 1.510756
289.2270 1.237633
289.7091 0.7900010
290.1913 0.7411290
290.6734 0.9830610
291.1555 1.098480
291.6376 0.7458590
292.1197 0.1372030
292.6018 0.2495840
293.0840 0.4112130
293.5661 0.2882520
294.0482 0.5162120
294.5303 1.600817
295.0124 2.177038
295.4945 1.572035
295.9767 0.4720900
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297.4230 1.769136
297.9051 2.050989
298.3872 2.004564
298.8694 1.792921
299.3515 1.433052
299.8336 1.031132
300.3157 0.7159560
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301.2799 0.2883850
301.7621 7.8354001E-02
302.2442 0.3756140
302.7263 0.3618600
303.2084 4.1251998E-02
303.6905 0.5500560
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304.6548 1.212393
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314.2971 0.8601300
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315.2613 7.1567997E-02
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330.6891 0.5410690
331.1712 5.9044000E-02
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380.3470 0.4678020
380.8292 0.2888970
381.3113 1.082943
381.7934 1.422626
382.2755 0.9841520
382.7576 0.4373680
383.2397 0.1404910
383.7219 8.4816001E-02
384.2040 9.6318997E-02
384.6861 3.7101999E-02
385.1682 9.5372997E-02
385.6503 0.1872010
386.1324 0.2554340
386.6146 0.2130970
387.0967 0.1157780
387.5788 0.5024050
388.0609 0.6200470
388.5430 0.3215900
389.0251 0.1929130
389.5073 0.4962370
389.9894 0.4740120
390.4715 0.3885270
390.9536 0.2015420
391.4357 1.7817000E-02
391.9178 0.1041340
392.4000 0.1517580
392.8821 0.1398070
393.3642 8.5205004E-02
393.8463 1.2049000E-02
394.3284 0.1859780
394.8105 0.5825350
395.2927 0.8849490
395.7748 0.9421270
396.2569 0.8478720
396.7390 0.7580660
397.2211 0.7420920
397.7032 0.7737240
398.1854 0.8254090
398.6675 0.9363590
399.1496 0.9195210
399.6317 0.5475860
400.1138 0.1469730
400.5959 1.7704001E-02
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402.5244 4.4250000E-02
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404.9350 0.4085450
405.4171 0.6683710
405.8992 1.304602
406.3813 1.981873
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