#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:34:37 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1159 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000578.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_1000578
loop_
_publ_author_name
'Moore, P. B.'
'Araki, T.'
_publ_section_title
;
 Braunite: its structure and relationship to bixbyite, and some insights
 on the genealogy of fluorite derivative structures
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1226
_journal_page_last               1240
_journal_volume                  61
_journal_year                    1976
_chemical_compound_source        R050388
_chemical_formula_sum            'Mn7 O12 Si'
_chemical_name_mineral           Braunite
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.408
_cell_length_b                   9.408
_cell_length_c                   18.668
_cell_volume                     1652.313
_exptl_crystal_density_diffrn    4.861
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Mn7 Si O12'
_cod_database_code               9000532
_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            R050388.rod
_rod_data_source.block           3500000
_rod_database.code               1000578
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 9000532 COD http://www.crystallography.net/cod/9000532.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
115.6650 0.0000000E+00
116.1471 0.2873150
116.6293 0.8825300
117.1114 1.064545
117.5935 0.4475560
118.0756 3.7788000E-02
118.5577 1.1719000E-02
119.0398 0.3367080
119.5220 0.9925000
120.0041 2.077393
120.4862 3.402832
120.9683 4.515015
121.4504 5.282219
121.9325 6.055031
122.4147 7.183289
122.8968 8.707634
123.3789 10.13126
123.8610 11.30411
124.3431 12.17645
124.8252 12.57817
125.3074 12.30206
125.7895 11.71086
126.2716 11.60356
126.7537 12.32323
127.2358 12.98100
127.7179 13.10686
128.2001 13.01120
128.6822 13.14756
129.1643 13.89536
129.6464 15.18766
130.1285 16.03075
130.6107 16.16690
131.0928 16.01718
131.5749 15.41809
132.0570 14.50002
132.5391 13.62267
133.0212 13.05472
133.5033 12.80075
133.9855 12.60457
134.4676 12.23393
134.9497 12.09409
135.4318 12.62919
135.9139 13.75892
136.3960 14.90408
136.8782 15.31549
137.3603 14.80064
137.8424 14.54968
138.3245 14.09906
138.8066 13.22507
139.2887 12.13834
139.7709 10.63177
140.2530 9.081390
140.7351 7.811428
141.2172 6.756397
141.6993 5.896976
142.1814 5.359406
142.6636 5.050560
143.1457 4.595154
143.6278 3.845547
144.1099 3.156158
144.5920 2.768360
145.0741 2.725033
145.5563 2.755505
146.0384 2.563107
146.5205 2.308758
147.0026 2.365719
147.4847 3.187405
147.9668 3.957687
148.4490 4.177608
148.9311 3.765999
149.4132 3.089176
149.8953 2.694515
150.3774 2.749363
150.8595 2.765076
151.3417 2.695824
151.8238 2.578735
152.3059 2.441578
152.7880 2.306404
153.2701 2.159229
153.7522 1.991409
154.2344 1.692623
154.7165 1.488373
155.1986 1.546680
155.6807 1.696804
156.1628 1.671844
156.6449 1.343735
157.1271 0.8151970
157.6092 0.5507350
158.0913 0.9720650
158.5734 1.152451
159.0555 0.5476570
159.5376 0.5447850
160.0198 1.313831
160.5019 1.229271
160.9840 0.5092470
161.4661 8.0379002E-02
161.9482 0.1245650
162.4303 0.2522050
162.9125 0.1904110
163.3946 5.2170001E-02
163.8767 0.2683940
164.3588 0.2707290
164.8409 0.1888540
165.3230 0.2524110
165.8052 0.5894390
166.2873 1.004932
166.7694 1.235222
167.2515 1.243069
167.7336 1.189415
168.2157 1.138096
168.6979 1.078960
169.1800 1.000637
169.6621 0.9060750
170.1442 0.7837370
170.6263 0.5908430
171.1084 0.2732580
171.5906 3.0182000E-02
172.0727 0.2426490
172.5548 0.4219360
173.0369 0.6692200
173.5190 0.9389500
174.0011 1.324131
174.4833 1.481449
174.9654 1.315430
175.4475 0.9826010
175.9296 0.2890090
176.4117 0.5445790
176.8938 1.126186
177.3760 1.125401
177.8581 0.5198860
178.3402 0.1995320
178.8223 0.3332180
179.3044 0.5482520
179.7865 0.7535900
180.2687 0.9347420
180.7508 1.098686
181.2329 1.250854
181.7150 1.390625
182.1971 1.517639
182.6792 1.586834
183.1614 1.681015
183.6435 1.879059
184.1256 2.171463
184.6077 2.450603
185.0898 2.616440
185.5719 2.657631
186.0541 2.704659
186.5362 2.692902
187.0183 2.726559
187.5004 2.949539
187.9825 3.387184
188.4646 3.824654
188.9468 4.022385
189.4289 4.040310
189.9110 4.122330
190.3931 4.471348
190.8752 4.871571
191.3573 4.877769
191.8395 4.267086
192.3216 3.812435
192.8037 4.393036
193.2858 5.601788
193.7679 6.514011
194.2500 6.466034
194.7322 5.775745
195.2143 5.512569
195.6964 5.985607
196.1785 6.440025
196.6606 6.368479
197.1427 5.963833
197.6249 5.652271
198.1070 5.751179
198.5891 6.216352
199.0712 6.595188
199.5533 6.778236
200.0354 6.991186
200.5176 7.399454
200.9997 7.910727
201.4818 8.303219
201.9639 8.335827
202.4460 7.991295
202.9281 7.976534
203.4103 8.842960
203.8924 9.555790
204.3745 9.651075
204.8566 9.302460
205.3387 9.006317
205.8208 9.218025
206.3030 10.01782
206.7851 10.54914
207.2672 10.71415
207.7493 10.73663
208.2314 10.59711
208.7135 10.36731
209.1957 10.20966
209.6778 10.27957
210.1599 10.61047
210.6420 10.92738
211.1241 11.38612
211.6062 11.70214
212.0884 11.63596
212.5705 11.24103
213.0526 10.80164
213.5347 10.54341
214.0168 10.48493
214.4989 10.62994
214.9811 11.42157
215.4632 12.05518
215.9453 11.81847
216.4274 10.73674
216.9095 9.642975
217.3916 9.239830
217.8737 9.577358
218.3559 9.824675
218.8380 10.05842
219.3201 10.18925
219.8022 10.09532
220.2843 9.765030
220.7664 9.341263
221.2486 8.840107
221.7307 8.322086
222.2128 8.060986
222.6949 8.407284
223.1770 8.870413
223.6591 8.801350
224.1413 8.099102
224.6234 7.421024
225.1055 7.324142
225.5876 7.584534
226.0697 7.825258
226.5518 7.912468
227.0340 7.945009
227.5161 8.085955
227.9982 8.371155
228.4803 8.635284
228.9624 8.821560
229.4445 8.907990
229.9267 8.851889
230.4088 8.602400
230.8909 8.228270
231.3730 7.848452
231.8551 7.431610
232.3372 7.083652
232.8194 6.884678
233.3015 6.789520
233.7836 6.760227
234.2657 6.763977
234.7478 6.787708
235.2299 6.857315
235.7121 6.958664
236.1942 7.117836
236.6763 7.580204
237.1584 8.023087
237.6405 8.046215
238.1227 7.436699
238.6048 6.462944
239.0869 5.798023
239.5690 5.517590
240.0511 5.449093
240.5332 5.696465
241.0154 6.039284
241.4975 6.259510
241.9796 6.264160
242.4617 6.119690
242.9438 5.986565
243.4259 5.855415
243.9081 5.752258
244.3902 5.706501
244.8723 5.674149
245.3544 5.615395
245.8365 5.515049
246.3186 5.384956
246.8008 5.240803
247.2829 4.964417
247.7650 4.861748
248.2471 5.067387
248.7292 5.418663
249.2113 5.773537
249.6935 6.039276
250.1756 6.130146
250.6577 5.888672
251.1398 4.878963
251.6219 4.191040
252.1040 3.964081
252.5862 3.967522
253.0683 4.031223
253.5504 4.099434
254.0325 4.172112
254.5146 4.248428
254.9967 4.337494
255.4789 4.388615
255.9610 4.417629
256.4431 4.399651
256.9252 4.277843
257.4073 4.041649
257.8894 3.745796
258.3716 3.455364
258.8537 3.155743
259.3358 2.917473
259.8179 2.718838
260.3000 2.593140
260.7821 2.609543
261.2643 2.770691
261.7464 2.950775
262.2285 3.020088
262.7106 2.958157
263.1927 2.822273
263.6748 2.447247
264.1570 2.103844
264.6391 2.113533
265.1212 2.486889
265.6033 2.825260
266.0854 2.693508
266.5675 2.068527
267.0497 1.742458
267.5318 1.912937
268.0139 2.263603
268.4960 2.637650
268.9781 3.007267
269.4602 3.204941
269.9424 3.036209
270.4245 2.551647
270.9066 2.213909
271.3887 2.060528
271.8708 2.036121
272.3529 2.214443
272.8351 2.564270
273.3172 2.722351
273.7993 2.355919
274.2814 1.651779
274.7635 1.242832
275.2456 1.287292
275.7278 1.467606
276.2099 1.619450
276.6920 1.736996
277.1741 1.761967
277.6562 1.615612
278.1383 1.389282
278.6205 1.276226
279.1026 1.310101
279.5847 1.381237
280.0668 1.443535
280.5489 1.490990
281.0310 1.470703
281.5132 1.299934
281.9953 1.121376
282.4774 1.110733
282.9595 1.271809
283.4416 1.562820
283.9237 2.120079
284.4059 2.833225
284.8880 3.204556
285.3701 2.971378
285.8522 2.541359
286.3343 2.323784
286.8164 2.309250
287.2986 2.397282
287.7807 2.646423
288.2628 2.971054
288.7449 3.055069
289.2270 2.743954
289.7091 2.387798
290.1913 2.270103
290.6734 2.346680
291.1555 2.474190
291.6376 2.594349
292.1197 2.716896
292.6018 2.896332
293.0840 3.195526
293.5661 3.400799
294.0482 3.299969
294.5303 3.017628
295.0124 2.766720
295.4945 2.613384
295.9767 2.549549
296.4588 2.628357
296.9409 2.942566
297.4230 3.078110
297.9051 2.601231
298.3872 1.886024
298.8694 1.342007
299.3515 1.057518
299.8336 1.035866
300.3157 1.479923
300.7978 2.546829
301.2799 3.130733
301.7621 2.251930
302.2442 0.9697570
302.7263 0.2112850
303.2084 0.1790240
303.6905 0.4494740
304.1726 0.7351260
304.6548 1.050148
305.1369 0.9789750
305.6190 3.0540001E-02
306.1011 1.101601
306.5832 1.527805
307.0653 1.274723
307.5475 0.8314380
308.0296 0.5709080
308.5117 0.4750920
308.9938 0.3036580
309.4759 0.1062180
309.9580 0.4293650
310.4402 0.4217070
310.9223 0.1428110
311.4044 0.1745010
311.8865 0.4928680
312.3686 0.7542590
312.8507 0.6567080
313.3329 2.5526000E-02
313.8150 0.6879040
314.2971 1.036020
314.7792 1.141323
315.2613 1.116785
315.7434 0.9530490
316.2256 0.7307700
316.7077 0.6002600
317.1898 0.5329400
317.6719 0.6419510
318.1540 1.146439
318.6361 1.783339
319.1183 2.288546
319.6004 2.597782
320.0825 2.719097
320.5646 2.576839
321.0467 2.104889
321.5288 1.790039
322.0110 1.789886
322.4931 2.022497
322.9752 2.515657
323.4573 3.279453
323.9394 4.045578
324.4215 4.602543
324.9037 4.948557
325.3858 5.076832
325.8679 4.741920
326.3500 4.435343
326.8321 4.550869
327.3142 5.038866
327.7964 5.547853
328.2785 5.866493
328.7606 6.015060
329.2427 6.064020
329.7248 5.905443
330.2069 5.844925
330.6891 6.177355
331.1712 6.731159
331.6533 7.157158
332.1354 7.311563
332.6175 7.199516
333.0996 6.914318
333.5818 6.394733
334.0639 5.950546
334.5460 5.957638
335.0281 6.052156
335.5102 5.752024
335.9923 4.791983
336.4745 3.729198
336.9566 3.270790
337.4387 3.455797
337.9208 3.574804
338.4029 3.302797
338.8850 2.934673
339.3671 2.767998
339.8492 2.835222
340.3314 2.955416
340.8135 3.064413
341.2956 3.138651
341.7777 2.981615
342.2598 2.378021
342.7419 1.798664
343.2241 1.711536
343.7062 2.026924
344.1883 2.309719
344.6704 2.356613
345.1525 2.227716
345.6346 2.024036
346.1168 1.699343
346.5989 1.448055
347.0810 1.521532
347.5631 1.746033
348.0452 1.821941
348.5273 1.558809
349.0095 1.238928
349.4916 1.199551
349.9737 1.443489
350.4558 1.694397
350.9379 1.824026
351.4200 1.885775
351.9022 1.989891
352.3843 2.191324
352.8664 2.299438
353.3485 2.096409
353.8306 1.668201
354.3127 1.368298
354.7949 1.326878
355.2770 1.391790
355.7591 1.323597
356.2412 1.120010
356.7233 1.071634
357.2054 1.447439
357.6876 2.000338
358.1697 2.340860
358.6518 2.393715
359.1339 2.265638
359.6160 1.905394
360.0981 1.395102
360.5803 1.217203
361.0624 1.727160
361.5445 2.412527
362.0266 2.866674
362.5087 3.075245
362.9908 3.124746
363.4730 2.977989
363.9551 2.710491
364.4372 2.681004
364.9193 3.028105
365.4014 3.450274
365.8835 3.931660
366.3657 4.369247
366.8478 4.517467
367.3299 4.254883
367.8120 3.840309
368.2941 3.701761
368.7762 3.896736
369.2584 4.083752
369.7405 4.221226
370.2226 4.316467
370.7047 4.359497
371.1868 4.374397
371.6689 4.445349
372.1511 4.717880
372.6332 5.201355
373.1153 5.330173
373.5974 4.791590
374.0795 4.244484
374.5616 3.964783
375.0438 3.930424
375.5259 4.076382
376.0080 4.396347
376.4901 4.802547
376.9722 4.975536
377.4543 4.719881
377.9365 4.487946
378.4186 4.291059
378.9007 4.155127
379.3828 4.178663
379.8649 4.369291
380.3470 4.521004
380.8292 4.319706
381.3113 3.564190
381.7934 3.053616
382.2755 2.987944
382.7576 2.959133
383.2397 2.655979
383.7219 2.156639
384.2040 1.802692
384.6861 1.892120
385.1682 2.385267
385.6503 2.644711
386.1324 2.414513
386.6146 2.222595
387.0967 2.350378
387.5788 2.502851
388.0609 2.190212
388.5430 1.210234
389.0251 8.3400001E-04
389.5073 0.5333820
389.9894 7.2874002E-02
390.4715 0.4248430
390.9536 1.101696
391.4357 1.645115
391.9178 1.814703
392.4000 1.618225
392.8821 1.260235
393.3642 0.8823930
393.8463 0.4775540
394.3284 0.2930850
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395.2927 0.7609770
395.7748 0.8631100
396.2569 0.8748150
396.7390 0.8704150
397.2211 0.8767660
397.7032 0.9101700
398.1854 1.036207
398.6675 1.322184
399.1496 1.496531
399.6317 1.486538
400.1138 1.333204
400.5959 1.005415
401.0781 0.5046410
401.5602 1.3730000E-03
402.0423 0.3687860
402.5244 0.6029610
403.0065 0.7683700
403.4886 0.8795130
403.9708 0.9026640
404.4529 0.7708280
404.9350 0.5371400
405.4171 0.3512380
405.8992 0.3119980
406.3813 0.3401410
406.8635 0.3167840
407.3456 0.2397040
407.8277 0.1259960
408.3098 6.3881002E-02
408.7919 0.2624630
409.2740 0.3457890
409.7562 0.2595790
410.2383 0.1841680
410.7204 0.2303100
411.2025 0.3737200
411.6846 0.5607280
412.1667 0.7999670
412.6489 1.020033
413.1310 1.161768
413.6131 1.234037
414.0952 1.119152
414.5773 0.5992490
415.0594 1.6325001E-02
415.5416 0.3277630
416.0237 0.4236340
416.5058 0.3646300
416.9879 0.1552260
417.4700 0.1421090
417.9521 0.1863270
418.4343 0.3641070
418.9164 0.7167550
419.3985 0.4895730
419.8806 1.6840000E-02
420.3627 0.3512360
420.8448 0.3705770
421.3270 0.2562810
421.8091 0.2832410
422.2912 0.5416160
422.7733 0.6796610
423.2554 0.5710390
423.7375 0.4610650
424.2197 0.5455400
424.7018 0.7701380
425.1839 0.9128670
425.6660 0.7952840
426.1481 0.4762340
426.6302 0.3603040
427.1124 0.6314850
427.5945 0.8962040
428.0766 1.176762
428.5587 1.393541
429.0408 1.427298
429.5229 1.256756
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