#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:34:34 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1158 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000577.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_1000577
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        R050385
_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            R050385.rod
_rod_data_source.block           3500000
_rod_database.code               1000577
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
120.0041 0.0000000E+00
120.4862 1.418762
120.9683 2.319992
121.4504 1.724991
121.9325 1.071823
122.4147 1.647125
122.8968 3.504120
123.3789 5.377197
123.8610 6.358566
124.3431 7.078583
124.8252 8.182770
125.3074 10.03322
125.7895 12.21579
126.2716 13.86928
126.7537 14.94466
127.2358 15.48524
127.7179 15.15401
128.2001 14.49252
128.6822 14.24327
129.1643 15.00854
129.6464 16.65424
130.1285 17.55899
130.6106 17.09128
131.0928 16.18141
131.5749 14.72382
132.0570 12.90274
132.5391 11.35283
133.0212 10.77980
133.5033 10.86514
133.9855 10.86261
134.4676 10.77071
134.9497 10.94551
135.4318 11.85019
135.9139 13.36427
136.3960 14.42175
136.8782 13.68451
137.3603 10.81738
137.8424 8.662430
138.3245 7.908463
138.8066 7.624191
139.2887 6.730598
139.7709 4.975792
140.2530 3.214859
140.7351 2.352669
141.2172 2.224716
141.6993 2.146194
142.1814 1.780930
142.6636 1.249069
143.1457 1.115143
143.6278 1.747581
144.1099 2.262337
144.5920 2.064255
145.0741 0.7971120
145.5563 0.4793320
146.0384 0.2429200
146.5205 1.532776
147.0026 3.456718
147.4847 6.057541
147.9668 8.290314
148.4490 9.495789
148.9311 9.367722
149.4132 8.387238
149.8953 7.618233
150.3774 7.215172
150.8595 6.845810
151.3417 6.390984
151.8238 6.192871
152.3059 6.469147
152.7880 7.368980
153.2701 8.544342
153.7522 9.044617
154.2344 8.231018
154.7165 7.419266
155.1986 6.450027
155.6807 5.513542
156.1628 4.903709
156.6449 4.790756
157.1271 5.050522
157.6092 5.168442
158.0913 5.269554
158.5734 5.119064
159.0555 4.371307
159.5376 3.206985
160.0198 2.313171
160.5019 2.053078
160.9840 2.348991
161.4661 2.791481
161.9482 3.674240
162.4303 4.430138
162.9125 4.609184
163.3946 4.232079
163.8767 3.755211
164.3588 3.398849
164.8409 3.129555
165.3230 2.857704
165.8052 2.422638
166.2873 2.117188
166.7694 2.601151
167.2515 4.287651
167.7336 5.324364
168.2157 3.988586
168.6979 1.737549
169.1800 0.3382950
169.6621 0.8470460
170.1442 2.464890
170.6263 2.880257
171.1084 1.345833
171.5906 0.2824020
172.0727 1.686165
172.5548 2.745926
173.0369 3.266891
173.5190 3.053871
174.0011 2.209137
174.4833 1.591194
174.9654 1.245224
175.4475 1.126564
175.9296 1.386047
176.4117 1.863785
176.8938 2.295135
177.3760 2.478363
177.8581 2.053299
178.3402 1.639801
178.8223 1.250641
179.3044 0.8669280
179.7865 0.4671940
180.2687 6.4208999E-02
180.7508 0.3174970
181.2329 0.6723330
181.7150 1.004593
182.1971 1.129723
182.6792 0.7107930
183.1614 0.3896260
183.6435 0.5647350
184.1256 1.238991
184.6077 2.144066
185.0898 3.125786
185.5719 4.176079
186.0540 4.930016
186.5362 5.288414
187.0183 5.397118
187.5004 5.308456
187.9825 5.013176
188.4646 4.733398
188.9467 4.604309
189.4289 4.641037
189.9110 4.971802
190.3931 5.841743
190.8752 6.958725
191.3573 7.889030
191.8394 8.585022
192.3216 9.140961
192.8037 9.636497
193.2858 10.05944
193.7679 10.35586
194.2500 10.33719
194.7321 10.15656
195.2143 10.39565
195.6964 11.50500
196.1785 12.32492
196.6606 11.78764
197.1427 10.49664
197.6248 9.813362
198.1070 11.06015
198.5891 13.95976
199.0712 15.61173
199.5533 14.98526
200.0354 14.13866
200.5175 13.67520
200.9997 13.61011
201.4818 13.87746
201.9639 14.49303
202.4460 15.46428
202.9281 16.23143
203.4102 16.63490
203.8924 16.95731
204.3745 17.29589
204.8566 17.62637
205.3387 17.87979
205.8208 17.97319
206.3029 17.87859
206.7851 17.82212
207.2672 17.63172
207.7493 17.62630
208.2314 18.14658
208.7135 19.03168
209.1956 19.75533
209.6778 19.79239
210.1599 19.00150
210.6420 18.69703
211.1241 19.04681
211.6062 19.62243
212.0883 20.22955
212.5705 20.85068
213.0526 21.57729
213.5347 22.56438
214.0168 23.86833
214.4989 24.64062
214.9810 24.66397
215.4632 24.38654
215.9453 23.93480
216.4274 23.36759
216.9095 22.98222
217.3916 23.07866
217.8737 23.68243
218.3559 24.19826
218.8380 24.67691
219.3201 25.05199
219.8022 25.16431
220.2843 24.99916
220.7664 24.95052
221.2486 25.47106
221.7307 26.40577
222.2128 27.06708
222.6949 27.05881
223.1770 26.88979
223.6591 27.23195
224.1413 28.19006
224.6234 29.07632
225.1055 29.17201
225.5876 28.84505
226.0697 28.76787
226.5518 29.28680
227.0340 30.01896
227.5161 30.50469
227.9982 30.72354
228.4803 30.79780
228.9624 30.76186
229.4445 30.56731
229.9267 30.14494
230.4088 29.35184
230.8909 28.49570
231.3730 28.22347
231.8551 28.81024
232.3372 29.41664
232.8194 29.67026
233.3015 29.73012
233.7836 29.73804
234.2657 29.70973
234.7478 29.71953
235.2299 29.98949
235.7121 30.75781
236.1942 31.41586
236.6763 32.01304
237.1584 32.34931
237.6405 32.10455
238.1227 31.07260
238.6048 29.63170
239.0869 28.72670
239.5690 28.44394
240.0511 28.59850
240.5332 29.52863
241.0154 30.61472
241.4975 31.24675
241.9796 31.16711
242.4617 30.58800
242.9438 30.01324
243.4259 29.28172
243.9081 28.82620
244.3902 28.80981
244.8723 28.99574
245.3544 29.21331
245.8365 29.38908
246.3186 29.47488
246.8007 29.36585
247.2829 29.04982
247.7650 28.51868
248.2471 27.50755
248.7292 26.43513
249.2113 25.76883
249.6934 25.64708
250.1756 25.73488
250.6577 25.36827
251.1398 24.02671
251.6219 23.01978
252.1040 22.26663
252.5861 21.82210
253.0683 21.99337
253.5504 22.81149
254.0325 23.66472
254.5146 23.52341
254.9967 21.65600
255.4788 20.05932
255.9610 18.55193
256.4431 17.42796
256.9252 17.10848
257.4073 17.63322
257.8894 18.36077
258.3716 18.41740
258.8537 17.45430
259.3358 16.67066
259.8179 16.28414
260.3000 15.94863
260.7821 15.22943
261.2643 14.08020
261.7464 13.02266
262.2285 12.68282
262.7106 13.27685
263.1927 13.59499
263.6748 13.50151
264.1570 13.19962
264.6391 12.83334
265.1212 12.42367
265.6033 11.94640
266.0854 11.31951
266.5675 10.54689
267.0497 10.07644
267.5318 10.14788
268.0139 10.36710
268.4960 10.28127
268.9781 9.901604
269.4602 9.881172
269.9424 10.96842
270.4245 12.92994
270.9066 14.03830
271.3887 13.80743
271.8708 13.05103
272.3529 12.18574
272.8351 11.24979
273.3172 10.54577
273.7993 10.28770
274.2814 10.42258
274.7635 10.64727
275.2456 11.04533
275.7278 11.43328
276.2099 11.61915
276.6920 11.63689
277.1741 11.77665
277.6562 12.22574
278.1383 12.85613
278.6204 13.38918
279.1025 13.83953
279.5847 14.17273
280.0668 14.31547
280.5489 14.29787
281.0310 14.27489
281.5131 14.22219
281.9952 14.28291
282.4774 14.70133
282.9595 15.55920
283.4416 16.28959
283.9237 16.47431
284.4058 16.22696
284.8879 16.00399
285.3701 15.90410
285.8522 15.89036
286.3343 15.90385
286.8164 15.94450
287.2985 16.05966
287.7806 16.28892
288.2628 16.61554
288.7449 16.99235
289.2270 17.44273
289.7091 17.89059
290.1912 18.29714
290.6733 18.65879
291.1555 18.96147
291.6376 19.28177
292.1197 19.53701
292.6018 19.53242
293.0839 19.24208
293.5660 18.75463
294.0482 17.96706
294.5303 17.00975
295.0124 16.12490
295.4945 15.42303
295.9766 14.93886
296.4587 14.87230
296.9409 15.45095
297.4230 15.65955
297.9051 14.63329
298.3872 13.03062
298.8693 11.57394
299.3514 10.48647
299.8336 9.587517
300.3157 8.571396
300.7978 7.366043
301.2799 6.453094
301.7620 6.501198
302.2441 6.671722
302.7263 6.123032
303.2084 4.617409
303.6905 2.902802
304.1726 1.657379
304.6547 0.8909910
305.1368 0.4598920
305.6190 0.6104280
306.1011 0.8727260
306.5832 0.9362340
307.0653 0.7747040
307.5474 0.4165120
308.0295 0.3087690
308.5117 1.338860
308.9938 1.900177
309.4759 1.642853
309.9580 1.161491
310.4401 0.7658000
310.9222 0.4810330
311.4044 0.3725660
311.8865 0.7868730
312.3686 1.485649
312.8507 1.293129
313.3328 0.4143450
313.8149 1.961487
314.2971 2.399559
314.7792 2.081505
315.2613 1.617523
315.7434 1.186562
316.2255 0.8429110
316.7076 0.7198410
317.1898 0.8656390
317.6719 1.098686
318.1540 1.376389
318.6361 1.680748
319.1182 1.977127
319.6003 2.233345
320.0825 2.543594
320.5646 3.136078
321.0467 4.098015
321.5288 4.782326
322.0109 4.756500
322.4930 4.496399
322.9752 4.282242
323.4573 4.152695
323.9394 4.229362
324.4215 4.835564
324.9036 5.949425
325.3857 6.558189
325.8679 6.169945
326.3500 5.515816
326.8321 5.117325
327.3142 4.952393
327.7963 4.789696
328.2784 4.325203
328.7606 3.688675
329.2427 3.551666
329.7248 4.164520
330.2069 4.921524
330.6890 5.607430
331.1711 6.154381
331.6533 6.388039
332.1354 6.077766
332.6175 5.482323
333.0996 5.125351
333.5817 5.050682
334.0638 5.068733
334.5460 5.384644
335.0281 5.637085
335.5102 5.255325
335.9923 3.825333
336.4744 2.338196
336.9565 2.245293
337.4387 3.661781
337.9208 4.411690
338.4029 3.201897
338.8850 1.407654
339.3671 0.3837970
339.8492 0.2658230
340.3314 0.3982770
340.8135 0.2908940
341.2956 2.7920001E-03
341.7777 0.1199650
342.2598 7.7118002E-02
342.7419 0.4153210
343.2241 0.7265930
343.7062 0.9624330
344.1883 1.044991
344.6704 0.7801210
345.1525 0.3521580
345.6346 0.2019650
346.1168 0.4348140
346.5989 0.7157750
347.0810 0.7938690
347.5631 0.6935350
348.0452 0.4781270
348.5273 6.0997002E-02
349.0095 0.3720170
349.4916 0.5575030
349.9737 0.4848940
350.4558 0.5233840
350.9379 1.085686
351.4200 1.700134
351.9022 1.554230
352.3843 0.3337710
352.8664 0.9554210
353.3485 1.555351
353.8306 1.587486
354.3127 1.719444
354.7949 2.311874
355.2770 2.886383
355.7591 2.533112
356.2412 1.231766
356.7233 0.4673610
357.2054 1.260521
357.6876 2.762634
358.1697 3.556992
358.6518 3.385319
359.1339 3.037769
359.6160 3.267033
360.0981 3.938808
360.5803 4.307827
361.0624 3.907398
361.5445 3.513062
362.0266 3.638313
362.5087 4.253098
362.9908 5.221069
363.4730 6.693146
363.9551 8.304546
364.4372 8.976734
364.9193 8.215969
365.4014 7.426292
365.8835 7.217377
366.3657 7.356678
366.8478 7.418606
367.3299 7.284557
367.8120 7.115746
368.2941 7.157894
368.7762 7.451267
369.2584 7.712402
369.7405 7.915169
370.2226 8.083519
370.7047 8.200615
371.1868 8.319012
371.6689 8.428616
372.1511 8.521706
372.6332 8.599583
373.1153 8.757233
373.5974 9.214489
374.0795 9.528397
374.5616 9.382469
375.0438 8.916946
375.5259 8.485470
376.0080 8.279644
376.4901 8.253555
376.9722 8.253159
377.4543 8.358696
377.9365 8.386452
378.4186 8.166908
378.9007 7.927647
379.3828 8.050484
379.8649 8.603336
380.3470 9.123997
380.8292 8.938553
381.3113 7.744648
381.7934 6.699829
382.2755 5.574654
382.7576 4.767952
383.2397 4.715939
383.7219 5.238129
384.2040 5.735622
384.6861 5.721092
385.1682 5.235844
385.6503 4.934624
386.1324 5.217857
386.6146 5.241875
387.0967 4.581085
387.5788 3.673164
388.0609 3.063057
388.5430 2.985390
389.0251 3.279110
389.5073 3.678120
389.9894 4.418045
390.4715 4.743519
390.9536 4.371326
391.4357 3.825451
391.9178 3.434597
392.4000 3.223217
392.8821 2.996822
393.3642 2.467625
393.8463 1.610123
394.3284 1.326118
394.8105 2.196022
395.2927 2.990417
395.7748 3.322865
396.2569 3.294926
396.7390 3.079643
397.2211 2.727829
397.7032 2.313160
398.1854 2.043560
398.6675 2.023178
399.1496 1.825397
399.6317 0.7818110
400.1138 0.1461180
400.5959 2.0602999E-02
401.0780 1.293159
401.5602 2.725697
402.0423 3.354885
402.5244 3.221966
403.0065 2.687115
403.4886 1.377720
403.9707 0.2880210
404.4529 0.2851140
404.9350 1.045147
405.4171 1.665630
405.8992 1.700649
406.3813 1.403969
406.8634 1.136665
407.3456 0.9070050
407.8277 0.6996960
408.3098 0.5512540
408.7919 0.3605270
409.2740 5.5984002E-02
409.7561 0.8116070
410.2383 1.346352
410.7204 1.162868
411.2025 0.5495680
411.6846 0.3802990
412.1667 0.9781950
412.6488 1.775070
413.1310 2.073074
413.6131 1.897591
414.0952 1.636528
414.5773 1.385323
415.0594 1.056114
415.5415 0.4864540
416.0237 0.2913060
416.5058 1.011982
416.9879 1.557339
417.4700 1.881104
417.9521 1.742577
418.4342 0.4493870
418.9164 0.4022940
419.3985 2.7424000E-02
419.8806 0.9480510
420.3627 1.598133
420.8448 1.628281
421.3269 1.375240
421.8091 1.343441
422.2912 1.672451
422.7733 1.818951
423.2554 1.724449
423.7375 1.515549
424.2196 1.163944
424.7018 0.7494130
425.1839 0.4946290
425.6660 0.5936390
426.1481 0.9587170
426.6302 0.9699130
427.1123 0.1046330
427.5945 0.6162720
428.0766 0.1281470
428.5587 1.270168
429.0408 1.908146
429.5229 1.785336
430.0050 1.362534
430.4872 1.273403
430.9693 1.583725
431.4514 1.952774
431.9335 2.517620
432.4156 3.014446
432.8977 3.383415
433.3799 3.598434
433.8620 3.581188
434.3441 3.132591
434.8262 2.538494
435.3083 2.790359
435.7904 4.338345
436.2726 5.477535
436.7547 5.031208
437.2368 4.201542
437.7189 4.082737
438.2010 4.906578
438.6831 5.988552
439.1653 6.770565
439.6474 7.308498
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