#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:33:25 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1144 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000565.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_1000565
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        R040036
_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            R040036.rod
_rod_data_source.block           3500000
_rod_database.code               1000565
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
118.6159 0.0000000E+00
119.0980 6.1707001E-02
119.5801 0.7299800
120.0622 2.607788
120.5444 5.332458
121.0265 4.629517
121.5086 1.638916
121.9907 0.5020750
122.4728 0.2460940
122.9549 1.555664
123.4371 2.697815
123.9192 2.247131
124.4013 1.387512
124.8834 1.263428
125.3655 1.860046
125.8476 3.220764
126.3298 6.156677
126.8119 10.92419
127.2940 13.91254
127.7761 12.40131
128.2582 9.686584
128.7404 7.360474
129.2225 5.839417
129.7046 5.113464
130.1867 5.257996
130.6688 6.777893
131.1509 8.283386
131.6331 9.841187
132.1152 11.18976
132.5973 11.87891
133.0794 11.66284
133.5615 10.96722
134.0436 11.59180
134.5258 15.38629
135.0079 18.58160
135.4900 20.73145
135.9721 21.94189
136.4542 22.31354
136.9363 21.75958
137.4184 20.41333
137.9006 20.35608
138.3827 22.26202
138.8648 24.51752
139.3469 26.32361
139.8290 27.72461
140.3111 29.25830
140.7933 31.20074
141.2754 33.68481
141.7575 37.03888
142.2396 42.35181
142.7217 48.02661
143.2038 52.00647
143.6860 53.81775
144.1681 55.55591
144.6502 59.10406
145.1323 63.88885
145.6144 68.88165
146.0965 73.83313
146.5787 78.67029
147.0608 83.06940
147.5429 86.29089
148.0250 90.12695
148.5071 96.13959
148.9892 103.6201
149.4714 110.6339
149.9535 115.7950
150.4356 119.0623
150.9177 121.0125
151.3998 122.5238
151.8819 121.7785
152.3641 117.0069
152.8462 108.7082
153.3283 99.26172
153.8104 91.31476
154.2925 85.51868
154.7746 79.59674
155.2568 73.35907
155.7389 67.14087
156.2210 61.18762
156.7031 55.54883
157.1852 50.06128
157.6673 44.44073
158.1495 38.11420
158.6316 32.80579
159.1137 28.76428
159.5958 25.57263
160.0779 22.76855
160.5600 20.17297
161.0422 18.03772
161.5243 17.08832
162.0064 17.90485
162.4885 18.35248
162.9706 17.53479
163.4527 16.08453
163.9349 15.21228
164.4170 15.39752
164.8991 16.42401
165.3812 18.07233
165.8633 20.90497
166.3454 23.25482
166.8276 22.94098
167.3097 19.78180
167.7918 17.31500
168.2739 17.22076
168.7560 18.23785
169.2381 18.73297
169.7203 18.38641
170.2024 18.08514
170.6845 19.02863
171.1666 21.52966
171.6487 23.40741
172.1308 23.47467
172.6130 22.90393
173.0951 22.12756
173.5772 21.41437
174.0593 21.09576
174.5414 22.04041
175.0235 25.32306
175.5057 27.43951
175.9878 26.46625
176.4699 24.67542
176.9520 24.49554
177.4341 27.10602
177.9162 31.37061
178.3984 33.72333
178.8805 31.80438
179.3626 30.90259
179.8447 32.17267
180.3268 34.66357
180.8089 37.04974
181.2911 38.55286
181.7732 39.46088
182.2553 41.46051
182.7374 44.95825
183.2195 49.10651
183.7016 54.43506
184.1838 60.28705
184.6659 65.36993
185.1480 68.74219
185.6301 70.73163
186.1122 74.52075
186.5943 82.90131
187.0765 89.85339
187.5586 93.21960
188.0407 93.23572
188.5228 90.81018
189.0049 86.08209
189.4870 79.28235
189.9692 72.66040
190.4513 66.45349
190.9334 60.21692
191.4155 53.17535
191.8976 45.46356
192.3797 38.73694
192.8619 34.62585
193.3440 32.37183
193.8261 29.63574
194.3082 25.54376
194.7903 21.31586
195.2724 18.34454
195.7546 16.77869
196.2367 15.58710
196.7188 14.36548
197.2009 13.11755
197.6830 11.80933
198.1651 10.27386
198.6473 8.783203
199.1294 7.822266
199.6115 7.510437
200.0936 7.468445
200.5757 7.892761
201.0578 8.361694
201.5400 8.298523
202.0221 7.350220
202.5042 5.749573
202.9863 4.084900
203.4684 2.052856
203.9505 0.5159300
204.4327 0.3746340
204.9148 0.6765750
205.3969 0.3551030
205.8790 0.7764890
206.3611 2.421265
206.8432 3.015137
207.3254 0.9921260
207.8075 0.2261960
208.2896 0.5480350
208.7717 2.502380
209.2538 4.541626
209.7359 6.034058
210.2181 6.955994
210.7002 7.009338
211.1823 5.356323
211.6644 3.647034
212.1465 2.169922
212.6286 0.8580930
213.1108 0.5773930
213.5929 2.408875
214.0750 4.476074
214.5571 5.001099
215.0392 3.214844
215.5213 1.291382
216.0035 0.7264400
216.4856 2.533508
216.9677 3.739014
217.4498 3.729492
217.9319 2.248535
218.4140 1.179993
218.8961 0.5014650
219.3783 0.2908940
219.8604 0.7998660
220.3425 1.847656
220.8246 2.970825
221.3067 3.960754
221.7888 4.740295
222.2710 4.978821
222.7531 4.159729
223.2352 3.356628
223.7173 3.422485
224.1994 4.116699
224.6815 4.136414
225.1637 2.127197
225.6458 1.050476
226.1279 2.080078
226.6100 0.7406620
227.0921 3.973877
227.5742 5.448120
228.0564 5.255920
228.5385 4.294983
229.0206 2.361816
229.5027 0.2902220
229.9848 0.1391600
230.4669 1.961914
230.9491 4.599792
231.4312 6.259644
231.9133 6.952515
232.3954 7.004639
232.8775 5.971985
233.3596 4.644226
233.8418 4.180420
234.3239 5.094116
234.8060 6.140625
235.2881 5.622437
235.7702 3.331482
236.2523 2.122620
236.7345 4.432922
237.2166 7.403320
237.6987 8.362732
238.1808 6.527893
238.6629 4.135620
239.1451 4.150085
239.6272 7.105103
240.1093 9.605896
240.5914 11.07440
241.0735 11.43335
241.5556 9.960938
242.0378 6.430664
242.5199 2.679993
243.0020 1.288025
243.4841 2.965698
243.9662 4.420532
244.4483 4.338989
244.9305 4.317627
245.4126 5.687927
245.8947 8.627991
246.3768 11.83099
246.8589 13.45758
247.3410 13.09985
247.8232 12.37634
248.3053 11.36578
248.7874 10.12061
249.2695 8.294739
249.7516 5.993652
250.2337 4.068146
250.7159 4.037354
251.1980 7.327637
251.6801 8.574677
252.1622 5.631470
252.6443 2.463928
253.1264 1.417725
253.6086 2.714600
254.0907 5.022583
254.5728 6.856903
255.0549 8.409668
255.5370 8.810272
256.0191 6.777710
256.5013 4.829987
256.9834 4.630096
257.4655 6.104065
257.9476 7.867340
258.4297 8.369659
258.9118 7.217560
259.3940 6.369904
259.8761 6.018188
260.3582 5.731750
260.8403 5.180084
261.3224 4.456055
261.8045 3.888824
262.2867 3.727173
262.7688 3.990692
263.2509 4.885010
263.7330 6.750153
264.2151 8.766846
264.6972 11.18301
265.1794 13.56631
265.6615 14.69641
266.1436 13.37299
266.6257 9.431000
267.1078 6.747223
267.5899 5.793335
268.0721 5.300018
268.5542 4.849457
269.0363 4.414429
269.5184 4.121735
270.0005 4.140350
270.4826 4.399200
270.9648 3.841339
271.4469 0.8288880
271.9290 1.340851
272.4111 0.1299740
272.8932 3.224487
273.3753 5.059479
273.8575 2.763824
274.3396 2.507660
274.8217 4.354340
275.3038 0.1122740
275.7859 3.706299
276.2680 4.637665
276.7502 3.718445
277.2323 3.198883
277.7144 4.210388
278.1965 6.103699
278.6786 6.867035
279.1607 6.053040
279.6429 5.233307
280.1250 5.026611
280.6071 5.080627
281.0892 4.544586
281.5713 2.929504
282.0534 1.147949
282.5356 1.341125
283.0177 4.167694
283.4998 6.190399
283.9819 6.073181
284.4640 5.014404
284.9461 4.380859
285.4283 4.686859
285.9104 5.155609
286.3925 4.448486
286.8746 2.412811
287.3567 0.9884340
287.8388 0.7169800
288.3210 1.226349
288.8031 2.151764
289.2852 3.496796
289.7673 4.750641
290.2494 5.421478
290.7315 5.526154
291.2137 5.049744
291.6958 3.693909
292.1779 1.903412
292.6600 0.1106570
293.1421 2.345886
293.6242 3.790161
294.1064 3.264893
294.5885 1.082520
295.0706 0.8596190
295.5527 2.385895
296.0348 3.602112
296.5169 4.675934
296.9991 5.594391
297.4812 5.984680
297.9633 5.188446
298.4454 3.754333
298.9275 3.492584
299.4096 5.528015
299.8918 7.558197
300.3739 7.878571
300.8560 6.651367
301.3381 5.029572
301.8202 3.052155
302.3023 1.364929
302.7845 1.170441
303.2666 3.049194
303.7487 5.003784
304.2308 5.783752
304.7129 5.685608
305.1950 5.784912
305.6772 6.506866
306.1593 7.459656
306.6414 8.064911
307.1235 8.306732
307.6056 8.511658
308.0877 9.278168
308.5699 10.10321
309.0520 9.621185
309.5341 7.016602
310.0162 4.032562
310.4983 2.645172
310.9804 2.628998
311.4626 3.268616
311.9447 5.044647
312.4268 7.049133
312.9089 7.742767
313.3910 6.789337
313.8731 5.462189
314.3553 4.637726
314.8374 4.266418
315.3195 4.267883
315.8016 4.997986
316.2837 5.876953
316.7658 6.395233
317.2480 6.547546
317.7301 6.084167
318.2122 4.133301
318.6943 1.664459
319.1764 1.280212
319.6585 4.565735
320.1407 8.393646
320.6228 10.73480
321.1049 11.63974
321.5870 11.36499
322.0691 9.463898
322.5512 6.717316
323.0334 4.801575
323.5155 3.804871
323.9976 3.332916
324.4797 3.207489
324.9618 3.453674
325.4439 4.355957
325.9261 6.399780
326.4082 8.345428
326.8903 8.188995
327.3724 5.949402
327.8545 4.190979
328.3366 4.326447
328.8188 5.393555
329.3009 5.544647
329.7830 4.240112
330.2651 3.130707
330.7472 3.997742
331.2293 6.269104
331.7115 7.721161
332.1936 7.512238
332.6757 6.439911
333.1578 5.269135
333.6399 3.682434
334.1220 2.480164
334.6042 2.324432
335.0863 3.112885
335.5684 4.033478
336.0505 5.223206
336.5326 5.863678
337.0147 5.099731
337.4969 3.368073
337.9790 2.738892
338.4611 4.465424
338.9432 7.362793
339.4253 9.007050
339.9074 9.424988
340.3896 8.912720
340.8717 6.416870
341.3538 3.051239
341.8359 1.552490
342.3180 2.958191
342.8001 5.354034
343.2822 5.685028
343.7643 3.640930
344.2465 2.970612
344.7286 6.118561
345.2107 10.06818
345.6928 11.15176
346.1749 8.907867
346.6570 6.020660
347.1392 4.949829
347.6213 5.756592
348.1034 5.681976
348.5855 3.242035
349.0676 1.160095
349.5497 1.866974
350.0319 4.790161
350.5140 6.957794
350.9961 6.370331
351.4782 3.751831
351.9603 2.477631
352.4424 3.807526
352.9246 4.914185
353.4067 4.638641
353.8888 3.495758
354.3709 2.273956
354.8530 1.210449
355.3351 0.5946660
355.8173 1.098022
356.2994 3.380981
356.7815 5.256226
357.2636 6.845673
357.7457 7.779388
358.2278 7.222900
358.7100 5.196136
359.1921 3.234985
359.6742 3.174469
360.1563 5.510193
360.6384 6.571289
361.1205 5.358093
361.6027 3.951874
362.0848 3.428741
362.5669 3.713104
363.0490 4.334717
363.5311 5.059479
364.0132 5.792023
364.4954 5.697266
364.9775 4.315552
365.4596 2.710785
365.9417 0.4362490
366.4238 1.744354
366.9059 2.767975
367.3881 2.208862
367.8702 0.5391540
368.3523 1.300507
368.8344 3.594757
369.3165 5.604706
369.7986 7.986298
370.2808 9.665222
370.7629 9.429291
371.2450 7.374878
371.7271 4.877716
372.2092 3.353973
372.6913 2.820587
373.1735 3.149750
373.6556 6.444061
374.1377 8.457581
374.6198 6.307678
375.1019 1.718170
375.5840 1.566223
376.0662 1.019196
376.5483 2.453827
377.0304 4.694061
377.5125 5.542847
377.9946 5.276093
378.4767 2.493652
378.9589 0.5789180
379.4410 1.315796
379.9231 1.059540
380.4052 4.452972
380.8873 5.425018
381.3694 2.972168
381.8516 1.374573
382.3337 1.536621
382.8158 2.141235
383.2979 2.805542
383.7800 3.360992
384.2621 3.541351
384.7443 3.025848
385.2264 1.873932
385.7085 0.7744750
386.1906 0.3433840
386.6727 1.286102
387.1548 2.267609
387.6370 2.986816
388.1191 2.812714
388.6012 1.177734
389.0833 0.8629460
389.5654 1.093140
390.0475 1.050171
390.5297 2.400024
391.0118 0.5428770
391.4939 1.655548
391.9760 1.404633
392.4581 1.723724
392.9402 4.596252
393.4224 4.015015
393.9045 0.6548460
394.3866 1.184784
394.8687 0.2579350
395.3508 1.219818
395.8329 1.321808
396.3151 0.4468380
396.7972 9.7655997E-02
397.2793 0.7700500
397.7614 1.974121
398.2435 1.785309
398.7256 8.9690998E-02
399.2078 1.622528
399.6899 2.531525
400.1720 2.884155
400.6541 3.116669
401.1362 3.104919
401.6183 3.241486
402.1005 4.100616
402.5826 5.314270
403.0647 5.668365
403.5468 4.556854
404.0289 3.116425
404.5110 3.174500
404.9932 4.859833
405.4753 6.128448
405.9574 6.660767
406.4395 6.579987
406.9216 5.323120
407.4037 3.133270
407.8859 2.067322
408.3680 4.064240
408.8501 8.797882
409.3322 11.77753
409.8143 12.65646
410.2964 12.50711
410.7786 10.58676
411.2607 8.103607
411.7428 7.284698
412.2249 9.090698
412.7070 12.31223
413.1891 14.58337
413.6713 15.22321
414.1534 16.15308
414.6355 18.12805
415.1176 19.82065
415.5997 19.67346
416.0818 17.99356
416.5640 16.80994
417.0461 18.11111
417.5282 21.93823
418.0103 24.75964
418.4924 25.58905
418.9745 26.43784
419.4567 27.77066
419.9388 29.37735
420.4209 30.94592
420.9030 32.32379
421.3851 33.59457
421.8672 34.85120
422.3494 35.91235
422.8315 37.44937
423.3136 39.22772
423.7957 41.70364
424.2778 45.40021
424.7599 50.21161
425.2421 55.21655
425.7242 59.57553
426.2063 63.36188
426.6884 67.30164
427.1705 70.98117
427.6526 75.56573
428.1348 81.85522
428.6169 89.17966
429.0990 96.48398
429.5811 103.1385
430.0632 110.3311
430.5453 119.8907
431.0275 131.8657
431.5096 143.7239
431.9917 153.7858
432.4738 164.5499
432.9559 178.7882
433.4380 196.3621
433.9202 214.4737
434.4023 231.6641
434.8844 248.4564
435.3665 265.3203
435.8486 282.1889
436.3307 300.5168
436.8129 321.1047
437.2950 344.1290
437.7771 369.2284
438.2592 394.0958
438.7413 423.4855
439.2234 460.0778
439.7056 503.0712
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