#\#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/1/00/04/1000492.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_1000492
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 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            R050335.rod
_rod_data_source.block           3500000
_rod_database.code               1000492
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
91.87140 0.0000000E+00
92.35352 1.123341
92.83563 0.6735440
93.31775 0.4151420
93.79987 0.4177770
94.28198 0.6259330
94.76410 0.7379480
95.24622 0.6779960
95.72833 0.6194300
96.21045 0.7653000
96.69257 0.7154010
97.17468 0.7623510
97.65680 0.7007780
98.13892 0.6131870
98.62103 0.4757180
99.10315 0.2403050
99.58527 6.3049003E-02
100.0674 0.1975160
100.5495 0.1205840
101.0316 3.0427000E-02
101.5137 6.2374000E-02
101.9958 7.8858003E-02
102.4780 0.1429530
102.9601 1.7178001E-02
103.4422 0.3451270
103.9243 0.5698210
104.4064 0.5708900
104.8885 0.4906270
105.3707 0.6090020
105.8528 1.079053
106.3349 1.529846
106.8170 1.808141
107.2991 1.776011
107.7813 1.835881
108.2634 2.087136
108.7455 2.445752
109.2276 2.618723
109.7097 2.349988
110.1918 2.083259
110.6740 2.002266
111.1561 2.247661
111.6382 2.525998
112.1203 2.850198
112.6024 3.208791
113.0845 3.508985
113.5667 3.633711
114.0488 3.750399
114.5309 3.974806
115.0130 4.430330
115.4951 4.901128
115.9772 5.347402
116.4594 5.771229
116.9415 6.136315
117.4236 6.334333
117.9057 6.497986
118.3878 6.767737
118.8699 7.427186
119.3521 8.038168
119.8342 8.280738
120.3163 8.098427
120.7984 7.957538
121.2805 8.230368
121.7626 8.731051
122.2448 9.141760
122.7269 9.224691
123.2090 9.188612
123.6911 9.252422
124.1732 9.462767
124.6553 9.674289
125.1375 9.647087
125.6196 9.480545
126.1017 9.488958
126.5838 10.07719
127.0659 10.93260
127.5480 11.47157
128.0302 11.55156
128.5123 11.42568
128.9944 11.30355
129.4765 11.21016
129.9586 11.37950
130.4407 12.24028
130.9229 13.58272
131.4050 14.52995
131.8871 14.79915
132.3692 14.65686
132.8513 14.58944
133.3334 14.54838
133.8156 14.62688
134.2977 15.12821
134.7798 16.10767
135.2619 16.88378
135.7440 17.23694
136.2261 17.27401
136.7083 17.56504
137.1904 18.17511
137.6725 18.83302
138.1546 19.21190
138.6367 19.23742
139.1188 19.42031
139.6010 19.94250
140.0831 20.80162
140.5652 21.52157
141.0473 22.04409
141.5294 22.52281
142.0115 23.18777
142.4937 24.19069
142.9758 25.03005
143.4579 25.45245
143.9400 25.24924
144.4221 25.66005
144.9042 26.94671
145.3864 28.68608
145.8685 30.11797
146.3506 31.03611
146.8327 31.94539
147.3148 32.99341
147.7969 34.10146
148.2791 35.51690
148.7612 37.51899
149.2433 39.79400
149.7254 41.62772
150.2075 42.63586
150.6896 43.56958
151.1718 44.72457
151.6539 46.79470
152.1360 48.08822
152.6181 48.34378
153.1002 47.77560
153.5823 47.01577
154.0645 46.41240
154.5466 45.40800
155.0287 43.73914
155.5108 40.72967
155.9929 37.80839
156.4750 35.20618
156.9572 32.86949
157.4393 30.64086
157.9214 28.37695
158.4035 26.25203
158.8856 24.36950
159.3677 22.91583
159.8499 21.52315
160.3320 19.98043
160.8141 18.36388
161.2962 17.10105
161.7783 16.76127
162.2604 16.65635
162.7426 16.21871
163.2247 14.78586
163.7068 13.41953
164.1889 12.63799
164.6710 12.41734
165.1531 12.29030
165.6353 12.02785
166.1174 11.74011
166.5995 11.54507
167.0816 11.63516
167.5637 11.71918
168.0458 11.52232
168.5280 11.04508
169.0101 10.69813
169.4922 10.84130
169.9743 11.25966
170.4564 11.65333
170.9385 12.08032
171.4207 12.32408
171.9028 12.01513
172.3849 11.11008
172.8670 10.35686
173.3491 10.50996
173.8312 11.21613
174.3134 11.80190
174.7955 11.89554
175.2776 11.73076
175.7597 11.53773
176.2418 11.32004
176.7239 11.14649
177.2061 11.16755
177.6882 11.29585
178.1703 11.29356
178.6524 10.74607
179.1345 10.06774
179.6166 10.07521
180.0988 10.91066
180.5809 11.91267
181.0630 12.29038
181.5451 12.17326
182.0272 12.06240
182.5093 12.17076
182.9915 12.48123
183.4736 12.94079
183.9557 13.55427
184.4378 14.36065
184.9199 15.63886
185.4020 17.27871
185.8842 18.66932
186.3663 19.31606
186.8484 19.41023
187.3305 19.60132
187.8126 19.94111
188.2947 20.36808
188.7769 20.96432
189.2590 21.70583
189.7411 22.06985
190.2232 21.63310
190.7053 20.49962
191.1874 19.32703
191.6696 18.15506
192.1517 16.96460
192.6338 15.67841
193.1159 14.29128
193.5980 12.94694
194.0801 11.75971
194.5623 10.72175
195.0444 9.606665
195.5265 8.335271
196.0086 7.074318
196.4907 6.213243
196.9728 5.783602
197.4550 5.483573
197.9371 5.171346
198.4192 4.844945
198.9013 4.468311
199.3834 4.011911
199.8655 3.528745
200.3477 3.164268
200.8298 2.940143
201.3119 2.741932
201.7940 2.480740
202.2761 2.144171
202.7582 1.892912
203.2404 1.739003
203.7225 1.656771
204.2046 1.695100
204.6867 1.921072
205.1688 2.081785
205.6509 1.951574
206.1331 1.455140
206.6152 1.180580
207.0973 1.251243
207.5794 1.537431
208.0615 1.635836
208.5436 1.508538
209.0258 1.293751
209.5079 1.059017
209.9900 0.7940860
210.4721 0.5538650
210.9542 0.3143860
211.4363 0.1118370
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212.4006 0.4325440
212.8827 0.7119870
213.3648 0.6914930
213.8469 0.2610890
214.3290 7.3325001E-02
214.8112 0.3065420
215.2933 0.4095860
215.7754 0.2239230
216.2575 0.4307880
216.7396 1.035049
217.2217 1.245581
217.7039 0.9189060
218.1860 0.6370740
218.6681 0.4456540
219.1502 0.3265090
219.6323 0.2223240
220.1144 0.1465070
220.5966 6.4475998E-02
221.0787 5.8304999E-02
221.5608 0.2735400
222.0429 0.3824800
222.5250 0.3363110
223.0071 0.1787800
223.4893 7.5397000E-02
223.9714 5.2186999E-02
224.4535 3.9898001E-02
224.9356 1.6530000E-03
225.4177 6.7805000E-02
225.8998 0.1558280
226.3820 0.2919320
226.8641 0.4467960
227.3462 0.4959790
227.8283 0.3782290
228.3104 0.2389630
228.7925 0.1439510
229.2747 7.5588003E-02
229.7568 0.1030540
230.2389 0.3067240
230.7210 0.5959760
231.2031 0.6470380
231.6852 0.2742010
232.1674 6.2006000E-02
232.6495 0.1087900
233.1316 0.3284830
233.6137 0.6176160
234.0958 0.7086900
234.5779 0.6573950
235.0601 0.6026790
235.5422 0.5061640
236.0243 0.4333980
236.5064 0.4292740
236.9885 0.5407210
237.4706 0.6236720
237.9528 0.7132140
238.4349 0.7634140
238.9170 0.6233590
239.3991 9.0738997E-02
239.8812 0.3295190
240.3633 0.3910660
240.8455 0.1134140
241.3276 0.4678710
241.8097 0.6637250
242.2918 0.7078740
242.7739 0.5840760
243.2560 0.1452460
243.7382 0.2347920
244.2203 0.4197430
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245.1845 0.2001490
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246.6309 1.071173
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248.5593 0.1828520
249.0414 0.3251940
249.5236 0.6963230
250.0057 1.092395
250.4878 1.149226
250.9699 0.6484440
251.4520 0.2071710
251.9341 2.3762001E-02
252.4163 0.1535670
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253.3805 0.4560380
253.8626 0.5964450
254.3447 0.5384740
254.8268 0.1442010
255.3090 0.1844450
255.7911 0.3212010
256.2732 0.2470340
256.7553 0.1307330
257.2374 4.9933001E-02
257.7195 0.2476390
258.2017 0.4273290
258.6838 0.6572840
259.1659 0.7058320
259.6480 0.4223690
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266.8798 0.1848050
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272.1830 1.440811
272.6652 1.046902
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274.5936 0.6707500
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276.0400 0.6653680
276.5221 0.8828890
277.0042 1.060539
277.4863 1.060178
277.9684 0.8698140
278.4506 0.7041990
278.9327 0.5391930
279.4148 0.4279340
279.8969 0.5571500
280.3790 0.9824060
280.8611 1.312540
281.3433 1.282629
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283.2717 0.3142130
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286.6465 1.035124
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288.0929 0.9493950
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289.0571 0.8942930
289.5392 1.082465
290.0214 1.033287
290.5035 0.7279120
290.9856 0.3581320
291.4677 8.8901997E-02
291.9498 6.8719998E-02
292.4319 8.0682002E-02
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378.7308 0.9366680
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380.1772 1.267618
380.6593 1.254353
381.1414 1.115681
381.6235 0.8642350
382.1057 0.6072220
382.5878 0.3487240
383.0699 0.1293350
383.5520 5.1964000E-02
384.0341 0.1058030
384.5162 0.1710970
384.9984 0.1671580
385.4805 0.1158540
385.9626 4.4287000E-02
386.4447 5.6145001E-02
386.9268 6.7808002E-02
387.4089 0.3029650
387.8911 0.8627570
388.3732 1.166662
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393.6765 0.2122100
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396.0870 0.3958090
396.5692 4.3315999E-02
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398.9797 3.6050000E-03
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