#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:43:02 +0300 (Thu, 26 Apr 2018) $
#$Revision: 525 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000077.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_1000077
loop_
_publ_author_name
'McCammon, C. A.'
_publ_section_title
;
 Static compression of alpha-MnS at 298 K to 21 GPa Sample: P = O GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              636
_journal_page_last               641
_journal_volume                  17
_journal_year                    1991
_chemical_compound_source        R070174
_chemical_formula_sum            'Mn S'
_chemical_name_mineral           Alabandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2245
_cell_length_b                   5.2245
_cell_length_c                   5.2245
_cell_volume                     142.605
_exptl_crystal_density_diffrn    4.052
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9005930
_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            R070174.rod
_rod_data_source.block           3500000
_rod_database.code               1000077
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 9005930 COD http://www.crystallography.net/cod/9005930.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
118.6021 0.0000000E+00
119.0842 1.9226000E-02
119.5663 0.1779790
120.0484 0.3746950
120.5305 5.8104999E-02
121.0126 0.2094120
121.4948 3.9059999E-03
121.9769 0.7331540
122.4590 1.720459
122.9411 2.839905
123.4232 4.030457
123.9053 4.994019
124.3875 5.479858
124.8696 5.642761
125.3517 5.889709
125.8338 6.156067
126.3159 6.692505
126.7980 7.630188
127.2802 8.947205
127.7623 10.49792
128.2444 12.35763
128.7265 14.60013
129.2086 16.32809
129.6907 17.22415
130.1729 17.72092
130.6550 17.91312
131.1371 17.84131
131.6192 17.55383
132.1013 17.07129
132.5834 16.11728
133.0656 15.52798
133.5477 15.41681
134.0298 15.57013
134.5119 15.95377
134.9940 16.57800
135.4761 17.24454
135.9583 17.42020
136.4404 16.59412
136.9225 15.83078
137.4046 15.12927
137.8867 14.50668
138.3688 14.02570
138.8510 13.69907
139.3331 13.52896
139.8152 13.47958
140.2973 13.58887
140.7794 13.59314
141.2615 13.48340
141.7437 13.25089
142.2258 12.72754
142.7079 11.71536
143.1900 10.48068
143.6721 9.589905
144.1542 9.312195
144.6364 9.100189
145.1185 8.263977
145.6006 6.625275
146.0827 5.254181
146.5648 5.000580
147.0469 5.271210
147.5291 5.468262
148.0112 5.258514
148.4933 4.885254
148.9754 4.818665
149.4575 5.297852
149.9396 5.683105
150.4218 5.746857
150.9039 5.667786
151.3860 5.619507
151.8681 5.543365
152.3502 5.466095
152.8323 5.943665
153.3145 7.625275
153.7966 9.056183
154.2787 10.16562
154.7608 10.97433
155.2429 11.45190
155.7250 12.04523
156.2072 12.83014
156.6893 13.49457
157.1714 14.00174
157.6535 14.43491
158.1356 14.71503
158.6177 14.82681
159.0999 14.78851
159.5820 14.34076
160.0641 13.37750
160.5462 12.59811
161.0283 11.83325
161.5104 11.39774
161.9926 11.66965
162.4747 12.70395
162.9568 13.86316
163.4389 14.38803
163.9210 14.32007
164.4031 14.48160
164.8853 15.33237
165.3674 16.40091
165.8495 16.93860
166.3316 16.72836
166.8137 16.29050
167.2958 16.03607
167.7780 15.94302
168.2601 16.01089
168.7422 16.57932
169.2243 17.39893
169.7064 17.36716
170.1885 15.78238
170.6707 14.04401
171.1528 13.04257
171.6349 12.69211
172.1170 12.55096
172.5991 12.38232
173.0812 12.19675
173.5634 11.75613
174.0455 10.87396
174.5276 9.836731
175.0097 8.611786
175.4918 7.280182
175.9739 6.090057
176.4561 5.647705
176.9382 5.915527
177.4203 5.927521
177.9024 5.390381
178.3845 4.847565
178.8666 4.681122
179.3488 4.892456
179.8309 5.137482
180.3130 4.960907
180.7951 4.109497
181.2772 3.283264
181.7593 2.553986
182.2415 1.968445
182.7236 1.539581
183.2057 1.243622
183.6878 1.068024
184.1699 1.059326
184.6520 1.330292
185.1342 1.570190
185.6163 1.838440
186.0984 2.094666
186.5805 2.193359
187.0626 2.048706
187.5447 1.879822
188.0269 2.205414
188.5090 3.227600
188.9911 3.934265
189.4732 3.676300
189.9553 3.031128
190.4374 3.095276
190.9196 4.332886
191.4017 5.936188
191.8838 6.777252
192.3659 6.903229
192.8480 6.959137
193.3301 7.083527
193.8123 7.182373
194.2944 7.183167
194.7765 7.058746
195.2586 6.908875
195.7407 6.737518
196.2228 6.541016
196.7050 6.558594
197.1871 7.202606
197.6692 8.433441
198.1513 9.229736
198.6334 9.016937
199.1155 8.610535
199.5977 8.526733
200.0798 8.803925
200.5619 9.260834
201.0440 9.670319
201.5261 9.979126
202.0082 10.62982
202.4904 12.13797
202.9725 13.68967
203.4546 14.79745
203.9367 15.44455
204.4188 16.04141
204.9009 17.20914
205.3831 19.32202
205.8652 20.82684
206.3473 21.35757
206.8294 21.56180
207.3115 21.62155
207.7936 21.65192
208.2758 21.85803
208.7579 22.62341
209.2400 24.54340
209.7221 25.66788
210.2042 25.33496
210.6863 24.80725
211.1685 24.92221
211.6506 25.85046
212.1327 27.24197
212.6148 28.65775
213.0969 30.39465
213.5790 31.40192
214.0612 31.12955
214.5433 30.52377
215.0254 30.22601
215.5075 30.41522
215.9896 31.03748
216.4717 32.08371
216.9539 33.93903
217.4360 35.26166
217.9181 35.59521
218.4002 35.60355
218.8823 36.06595
219.3644 37.17581
219.8466 38.29239
220.3287 38.46918
220.8108 37.54572
221.2929 36.63232
221.7750 35.60181
222.2571 34.76022
222.7393 34.61414
223.2214 35.33987
223.7035 36.33847
224.1856 36.93417
224.6677 37.16788
225.1498 37.16675
225.6320 36.75494
226.1141 36.17923
226.5962 35.97934
227.0783 36.43054
227.5604 36.69617
228.0425 35.77655
228.5247 33.91525
229.0068 31.91071
229.4889 29.72598
229.9710 27.65515
230.4531 26.59277
230.9352 27.22787
231.4174 27.59573
231.8995 25.98886
232.3816 22.93213
232.8637 19.76263
233.3458 17.08209
233.8279 14.77963
234.3101 12.40353
234.7922 9.768921
235.2743 7.442871
235.7564 5.783875
236.2385 4.613098
236.7206 3.569977
237.2028 2.397125
237.6849 1.195709
238.1670 0.5166020
238.6491 1.209991
239.1312 1.060303
239.6133 1.454254
240.0955 5.229065
240.5776 8.434845
241.0597 9.921082
241.5418 9.995911
242.0239 10.07581
242.5060 10.04742
242.9882 10.16537
243.4703 10.76349
243.9524 11.49133
244.4345 11.82245
244.9166 11.41595
245.3987 10.44235
245.8809 9.689758
246.3630 9.262604
246.8451 8.888580
247.3272 8.726044
247.8093 8.585327
248.2914 8.049347
248.7736 6.799561
249.2557 5.159454
249.7378 4.577637
250.2199 6.708832
250.7020 7.908173
251.1841 7.209686
251.6663 5.507751
252.1484 3.844879
252.6305 2.715271
253.1126 1.959778
253.5947 1.042969
254.0768 0.1530460
254.5590 1.386658
255.0411 2.798157
255.5232 4.230103
256.0053 5.448151
256.4874 6.327332
256.9695 7.015076
257.4517 7.886597
257.9338 8.751038
258.4159 10.12503
258.8980 12.39920
259.3801 15.01361
259.8622 17.46890
260.3444 19.59616
260.8265 21.43875
261.3086 23.06076
261.7907 24.21445
262.2728 25.52292
262.7549 27.08829
263.2371 28.77255
263.7192 30.25589
264.2013 31.48404
264.6834 32.98425
265.1655 35.65204
265.6476 40.31058
266.1298 44.12686
266.6119 46.46237
267.0940 48.27527
267.5761 50.38663
268.0582 52.97760
268.5403 55.80280
269.0225 58.59375
269.5046 61.33075
269.9867 64.14972
270.4688 67.43759
270.9509 70.56470
271.4330 72.73212
271.9152 73.90384
272.3973 75.12149
272.8794 77.38837
273.3615 80.82507
273.8436 84.22293
274.3257 87.52368
274.8079 90.82495
275.2900 94.15186
275.7721 97.52246
276.2542 100.9436
276.7363 104.4813
277.2184 108.0826
277.7006 111.5623
278.1827 114.7413
278.6648 117.9122
279.1469 121.3554
279.6290 125.0165
280.1111 128.4798
280.5933 131.3550
281.0754 133.8875
281.5575 136.9418
282.0396 140.7996
282.5217 144.8215
283.0038 148.6892
283.4860 152.4125
283.9681 156.0880
284.4502 159.7863
284.9323 163.4293
285.4144 166.8434
285.8965 169.8796
286.3787 173.0490
286.8608 176.7746
287.3429 180.8906
287.8250 184.8242
288.3071 188.3002
288.7892 191.6295
289.2714 195.3499
289.7535 199.5187
290.2356 203.5012
290.7177 207.0168
291.1998 210.1244
291.6819 213.0152
292.1641 215.7223
292.6462 218.2285
293.1283 220.4733
293.6104 222.4834
294.0925 224.4723
294.5746 226.4472
295.0568 228.4562
295.5389 230.6485
296.0210 233.1439
296.5031 235.6111
296.9852 237.5769
297.4673 239.0896
297.9495 240.5067
298.4316 242.3948
298.9137 244.2204
299.3958 244.9047
299.8779 244.1822
300.3600 243.4988
300.8422 243.9070
301.3243 244.9587
301.8064 246.0120
302.2885 247.3199
302.7706 248.3046
303.2527 247.9307
303.7349 246.0508
304.2170 244.6680
304.6991 245.2910
305.1812 246.6904
305.6633 247.1277
306.1454 246.1084
306.6276 244.9193
307.1097 244.9271
307.5918 245.9863
308.0739 246.2117
308.5560 244.6462
309.0381 242.4661
309.5203 241.0231
310.0024 240.3903
310.4845 239.8601
310.9666 238.9869
311.4487 237.8139
311.9308 236.5593
312.4130 235.2498
312.8951 233.8267
313.3772 231.9688
313.8593 229.8001
314.3414 228.3191
314.8235 228.7091
315.3057 230.1244
315.7878 230.3677
316.2699 229.1152
316.7520 227.0079
317.2341 224.1275
317.7162 220.7866
318.1984 217.6207
318.6805 214.8491
319.1626 212.4047
319.6447 210.2216
320.1268 208.3299
320.6089 206.5699
321.0911 204.8817
321.5732 203.2565
322.0553 201.7534
322.5374 200.5605
323.0195 199.1879
323.5016 197.0129
323.9838 194.0137
324.4659 191.0358
324.9480 188.3168
325.4301 185.8656
325.9122 183.7156
326.3943 181.8734
326.8765 180.1835
327.3586 178.6523
327.8407 177.2151
328.3228 175.5191
328.8049 173.3350
329.2870 171.0712
329.7692 169.3569
330.2513 168.1256
330.7334 166.4221
331.2155 163.2392
331.6976 159.3093
332.1797 156.4116
332.6619 154.9255
333.1440 153.9300
333.6261 152.7310
334.1082 151.4400
334.5903 150.3297
335.0724 149.5903
335.5546 149.0352
336.0367 148.5222
336.5188 148.0830
337.0009 147.3647
337.4830 145.7980
337.9651 143.9335
338.4473 142.8124
338.9294 142.7202
339.4115 143.1203
339.8936 143.8367
340.3757 144.7967
340.8578 145.3770
341.3400 145.0495
341.8221 144.5421
342.3042 144.9838
342.7863 146.4978
343.2684 148.1626
343.7505 149.6758
344.2327 151.0014
344.7148 151.9748
345.1969 152.4539
345.6790 152.8606
346.1611 153.5623
346.6432 154.5320
347.1254 156.0180
347.6075 158.2432
348.0896 160.9433
348.5717 164.0478
349.0538 167.5942
349.5359 170.6273
350.0181 172.1704
350.5002 172.5556
350.9823 173.4622
351.4644 175.1846
351.9465 177.2766
352.4286 179.7278
352.9108 182.3966
353.3929 184.6104
353.8750 185.9473
354.3571 186.7001
354.8392 187.6239
355.3214 188.8070
355.8035 189.9391
356.2856 191.1828
356.7677 192.2552
357.2498 192.5699
357.7319 191.8994
358.2141 190.6993
358.6962 189.4637
359.1783 188.1470
359.6604 187.1724
360.1425 187.0280
360.6246 186.9513
361.1068 186.1670
361.5889 184.6249
362.0710 182.9666
362.5531 181.8237
363.0352 181.1413
363.5173 179.5722
363.9995 176.0728
364.4816 172.7412
364.9637 170.4922
365.4458 169.2229
365.9279 168.6649
366.4100 168.7853
366.8922 169.3830
367.3743 169.7264
367.8564 169.2449
368.3385 169.1778
368.8206 169.7834
369.3027 170.8486
369.7849 172.2221
370.2670 173.8570
370.7491 175.6429
371.2312 177.3978
371.7133 178.9942
372.1954 180.9548
372.6776 183.2250
373.1597 185.8827
373.6418 189.1270
374.1239 192.7846
374.6060 196.3552
375.0881 199.4930
375.5703 202.2102
376.0524 204.6785
376.5345 207.5915
377.0166 209.4858
377.4987 209.8803
377.9808 209.1020
378.4630 207.5301
378.9451 205.3265
379.4272 202.6028
379.9093 199.6220
380.3914 196.2436
380.8735 192.8419
381.3557 190.4475
381.8378 187.4221
382.3199 182.1133
382.8020 174.5189
383.2841 166.3066
383.7662 159.4229
384.2484 154.1095
384.7305 148.3911
385.2126 141.9110
385.6947 135.2752
386.1768 128.4171
386.6589 121.5090
387.1411 114.8405
387.6232 108.5648
388.1053 102.6405
388.5874 96.93082
389.0695 91.32498
389.5516 86.21930
390.0338 81.76083
390.5159 77.68195
390.9980 73.78247
391.4801 69.99002
391.9622 66.34744
392.4443 62.94476
392.9265 59.84216
393.4086 56.57556
393.8907 52.93356
394.3728 49.27722
394.8549 45.75180
395.3370 42.38617
395.8192 39.26953
396.3013 36.44162
396.7834 33.90549
397.2655 31.72110
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400.1582 23.80750
400.6403 23.41185
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402.5688 19.00992
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413.6575 1.321136
414.1396 0.1504360
414.6217 0.8676450
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416.0681 0.8218380
416.5502 1.716415
417.0323 2.329559
417.5144 2.462479
417.9965 2.567566
418.4786 2.832382
418.9608 3.199356
419.4429 3.588547
419.9250 3.968048
420.4071 4.262405
420.8892 4.242737
421.3713 3.568451
421.8535 3.066711
422.3356 2.560791
422.8177 2.361893
423.2998 2.962753
423.7819 4.271896
424.2640 5.507111
424.7462 5.814545
425.2283 5.129868
425.7104 4.525803
426.1925 3.807175
426.6746 3.408493
427.1567 3.650101
427.6389 4.245026
428.1210 4.744919
428.6031 4.929443
429.0852 4.944946
429.5673 5.194748
430.0494 5.914719
430.5316 6.043289
431.0137 4.513824
431.4958 2.848083
431.9779 2.048508
432.4600 2.156815
432.9421 2.500504
433.4243 2.576294
433.9064 2.466766
434.3885 2.590302
434.8706 3.115814
435.3527 3.533157
435.8348 3.550003
436.3170 3.239807
436.7991 2.636505
437.2812 1.495926
437.7633 0.4172970
438.2454 5.3099999E-03
438.7275 0.1935730
439.2097 0.5531160
439.6918 1.059189
440.1739 1.483994
440.6560 1.353012
441.1381 0.6105500
441.6202 0.1322170
442.1024 0.5609280
442.5845 1.162933
443.0666 1.010422
443.5487 5.2719001E-02
444.0308 1.078735
444.5129 1.980042
444.9951 2.647766
445.4772 3.055099
445.9593 3.073151
446.4414 2.994690
446.9235 2.788437
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