#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:53:08 +0300 (Thu, 07 Jun 2018) $
#$Revision: 988 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000445.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_1000445
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 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            R050388.rod
_rod_data_source.block           3500000
_rod_database.code               1000445
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
115.0130 0.0000000E+00
115.4951 0.1800000
115.9772 0.4102170
116.4594 2.536148
116.9415 4.754860
117.4236 6.783905
117.9057 8.329086
118.3878 9.108009
118.8699 7.001312
119.3521 5.525124
119.8342 6.818764
120.3163 11.12833
120.7984 16.71152
121.2805 23.05978
121.7626 29.91104
122.2448 36.82761
122.7269 46.11191
123.2090 54.15698
123.6911 56.49876
124.1732 51.64623
124.6553 45.32434
125.1375 42.15023
125.6196 41.71153
126.1017 42.71351
126.5838 44.53268
127.0659 47.26682
127.5480 51.59696
128.0302 58.49461
128.5123 65.22128
128.9944 67.54254
129.4765 65.79053
129.9586 63.07567
130.4407 61.82039
130.9229 61.48709
131.4050 59.80911
131.8871 55.80848
132.3692 50.75816
132.8513 47.42953
133.3334 45.63060
133.8156 44.45276
134.2977 43.86530
134.7798 44.34732
135.2619 45.43808
135.7440 47.27570
136.2261 49.61320
136.7083 51.22853
137.1904 51.85933
137.6725 52.63029
138.1546 55.71547
138.6367 62.16903
139.1188 65.25165
139.6010 62.84854
140.0831 55.00026
140.5652 46.12016
141.0473 35.18255
141.5294 24.45200
142.0115 17.11966
142.4937 13.94157
142.9758 12.08778
143.4579 10.83434
143.9400 10.50629
144.4221 11.02554
144.9042 12.10432
145.3864 13.44839
145.8685 14.94988
146.3506 16.98646
146.8327 18.40965
147.3148 19.08528
147.7969 18.47855
148.2791 17.79701
148.7612 16.53111
149.2433 15.05860
149.7254 15.10414
150.2075 18.49458
150.6896 22.27387
151.1718 25.39356
151.6539 28.08180
152.1360 29.82619
152.6181 29.93204
153.1002 28.99046
153.5823 28.76572
154.0645 31.44819
154.5466 33.38125
155.0287 32.85184
155.5108 27.56197
155.9929 22.35815
156.4750 17.71890
156.9572 13.65879
157.4393 10.37504
157.9214 8.211151
158.4035 6.608482
158.8856 5.209770
159.3677 3.816391
159.8499 2.730293
160.3320 1.782593
160.8141 1.079544
161.2962 1.338005
161.7783 4.056061
162.2604 7.263290
162.7426 9.335342
163.2247 9.280449
163.7068 8.450424
164.1889 7.058868
164.6710 5.188179
165.1531 3.719048
165.6353 2.810669
166.1174 2.616623
166.5995 3.302719
167.0816 5.913361
167.5637 8.689133
168.0458 10.58620
168.5280 11.56850
169.0101 11.99400
169.4922 12.27519
169.9743 12.10177
170.4564 11.03003
170.9385 8.074173
171.4207 4.625877
171.9028 1.832642
172.3849 0.2410580
172.8670 1.960793
173.3491 3.430214
173.8312 4.599945
174.3134 5.409821
174.7955 5.772507
175.2776 5.784210
175.7597 5.518219
176.2418 4.962456
176.7239 4.230194
177.2061 3.200089
177.6882 2.025978
178.1703 1.144989
178.6524 1.051529
179.1345 1.304825
179.6166 1.029228
180.0988 6.1211001E-02
180.5809 0.8382640
181.0630 0.5495910
181.5451 0.6479950
182.0272 1.623795
182.5093 1.908478
182.9915 1.546432
183.4736 0.4700010
183.9557 1.488068
184.4378 3.589310
184.9199 4.733490
185.4020 5.030823
185.8842 5.420586
186.3663 6.626114
186.8484 8.381989
187.3305 9.631416
187.8126 10.22876
188.2947 10.51610
188.7769 10.92651
189.2590 11.46528
189.7411 12.24526
190.2232 13.46842
190.7053 15.05333
191.1874 16.43531
191.6696 17.47949
192.1517 18.50730
192.6338 20.31495
193.1159 22.93826
193.5980 25.38226
194.0801 26.76934
194.5623 27.20405
195.0444 28.40278
195.5265 30.72562
196.0086 33.57198
196.4907 35.60416
196.9728 36.73499
197.4550 37.78285
197.9371 39.07818
198.4192 40.61333
198.9013 42.82640
199.3834 45.83928
199.8655 49.44460
200.3477 53.42598
200.8298 57.94656
201.3119 62.05542
201.7940 64.89841
202.2761 66.29354
202.7582 68.55904
203.2404 72.19416
203.7225 76.60672
204.2046 80.00230
204.6867 82.07544
205.1688 84.20435
205.6509 87.36139
206.1331 91.77227
206.6152 95.78952
207.0973 99.14094
207.5794 102.0828
208.0615 105.3964
208.5436 109.1394
209.0258 113.1192
209.5079 117.1232
209.9900 121.0259
210.4721 125.5225
210.9542 130.9087
211.4363 136.8323
211.9185 142.0363
212.4006 146.2946
212.8827 150.3533
213.3648 154.6804
213.8469 159.5858
214.3290 163.8389
214.8112 167.4879
215.2933 170.3744
215.7754 171.9427
216.2575 171.8391
216.7396 171.0799
217.2217 170.2867
217.7038 169.6358
218.1860 168.4225
218.6681 166.5869
219.1502 164.1702
219.6323 161.3793
220.1144 158.4437
220.5965 154.7906
221.0787 149.8142
221.5608 142.5186
222.0429 136.7394
222.5250 133.3018
223.0071 131.4923
223.4892 128.7123
223.9714 124.2059
224.4535 119.8873
224.9356 116.7655
225.4177 115.2084
225.8998 114.0041
226.3819 113.0099
226.8641 112.3325
227.3462 112.4819
227.8283 113.9940
228.3104 115.5104
228.7925 116.3929
229.2746 116.7621
229.7568 116.1555
230.2389 114.1165
230.7210 111.0666
231.2031 108.6879
231.6852 107.6532
232.1673 106.3411
232.6495 103.9531
233.1316 100.1097
233.6137 96.10706
234.0958 92.00352
234.5779 87.82179
235.0600 83.57259
235.5422 78.67513
236.0243 74.48153
236.5064 71.79465
236.9885 72.00497
237.4706 70.51321
237.9527 66.51215
238.4349 61.06075
238.9170 56.89931
239.3991 54.64325
239.8812 52.63983
240.3633 50.18575
240.8454 46.92217
241.3276 44.25274
241.8097 42.29596
242.2918 40.86942
242.7739 39.76927
243.2560 39.29797
243.7381 38.68404
244.2203 37.56046
244.7024 35.59675
245.1845 34.06139
245.6666 33.04137
246.1487 32.41122
246.6308 31.85543
247.1130 31.06081
247.5951 30.87085
248.0772 31.85313
248.5593 34.69797
249.0414 36.24088
249.5235 35.96506
250.0057 34.53988
250.4878 33.00787
250.9699 31.05673
251.4520 29.56011
251.9341 28.95026
252.4162 29.49361
252.8984 29.61807
253.3805 29.34650
253.8626 28.66518
254.3447 27.49938
254.8268 25.50912
255.3089 23.69061
255.7911 22.40143
256.2732 21.72019
256.7553 20.64083
257.2374 19.08627
257.7195 17.20861
258.2017 15.08680
258.6838 12.37012
259.1659 10.21191
259.6480 9.071022
260.1301 8.997871
260.6122 8.403488
261.0944 7.049477
261.5765 5.546783
262.0586 4.574295
262.5407 4.333542
263.0228 4.071701
263.5049 3.618980
263.9871 2.981590
264.4692 2.420326
264.9513 1.942291
265.4334 1.521072
265.9155 1.108185
266.3976 0.6797180
266.8798 0.3532560
267.3619 9.3612999E-02
267.8440 6.4575002E-02
268.3261 0.3138430
268.8082 1.528755
269.2903 2.649368
269.7725 2.725792
270.2546 1.414192
270.7367 0.6675800
271.2188 0.8880620
271.7009 1.856323
272.1830 2.709663
272.6652 3.462273
273.1473 4.041565
273.6294 4.298630
274.1115 4.132553
274.5936 4.314453
275.0757 5.057503
275.5579 6.101418
276.0400 6.638687
276.5221 6.571709
277.0042 6.388878
277.4863 6.285500
277.9684 6.241249
278.4506 6.637657
278.9327 7.687988
279.4148 8.955757
279.8969 9.462059
280.3790 9.126381
280.8611 8.604530
281.3433 8.035500
281.8254 7.424683
282.3075 7.557396
282.7896 8.584717
283.2717 10.07145
283.7538 11.51358
284.2360 12.92822
284.7181 13.87636
285.2002 13.89839
285.6823 13.13392
286.1644 12.86114
286.6465 13.12605
287.1287 13.72065
287.6108 14.42814
288.0929 15.24646
288.5750 16.13927
289.0571 16.99239
289.5392 17.91081
290.0214 19.34862
290.5035 21.33221
290.9856 23.55305
291.4677 25.67947
291.9498 27.75434
292.4319 30.01797
292.9141 32.85054
293.3962 35.77428
293.8783 37.45660
294.3604 37.87348
294.8425 38.14578
295.3246 39.53836
295.8068 41.63945
296.2889 43.06500
296.7710 43.51414
297.2531 43.12118
297.7352 41.95747
298.2173 40.07265
298.6995 37.80629
299.1816 35.21519
299.6637 32.43980
300.1458 29.92943
300.6279 27.91203
301.1100 25.79819
301.5922 22.49291
302.0743 18.32864
302.5564 14.66951
303.0385 12.74708
303.5206 11.66582
304.0027 10.05773
304.4849 7.678047
304.9670 5.127907
305.4491 2.568565
305.9312 0.2689900
306.4133 1.125862
306.8954 0.5841370
307.3776 0.6366040
307.8597 1.298065
308.3418 1.299385
308.8239 1.037201
309.3060 0.7399290
309.7881 0.3829190
310.2703 5.9386998E-02
310.7524 0.6604390
311.2345 1.309654
311.7166 2.038208
312.1987 2.829704
312.6808 3.316933
313.1630 3.141914
313.6451 2.616600
314.1272 2.074020
314.6093 1.554863
315.0914 1.114502
315.5735 0.8310320
316.0557 0.6762470
316.5378 0.4979630
317.0199 0.5853880
317.5020 0.4212720
317.9841 0.4448550
318.4662 2.727257
318.9484 4.780914
319.4305 6.085121
319.9126 6.754349
320.3947 7.088646
320.8768 6.573936
321.3589 6.201683
321.8411 6.531898
322.3232 7.939278
322.8053 9.293518
323.2874 10.25611
323.7695 11.05756
324.2516 12.06255
324.7338 13.77888
325.2159 15.28986
325.6980 16.15494
326.1801 16.12116
326.6622 16.56863
327.1443 17.97993
327.6265 19.74914
328.1086 21.27325
328.5907 22.36269
329.0728 23.38642
329.5549 24.19207
330.0370 24.77662
330.5192 26.14095
331.0013 29.20439
331.4834 32.27911
331.9655 34.19992
332.4476 34.32616
332.9297 34.37051
333.4119 34.29695
333.8940 34.22784
334.3761 34.87208
334.8582 36.95801
335.3403 38.58467
335.8224 38.55249
336.3046 35.97305
336.7867 34.50756
337.2688 34.81142
337.7509 35.80891
338.2330 35.13081
338.7151 32.25536
339.1973 29.36363
339.6794 27.43002
340.1615 26.54713
340.6436 24.84464
341.1257 22.06467
341.6078 19.07399
342.0899 17.04992
342.5721 16.09554
343.0542 15.21096
343.5363 14.15637
344.0184 12.95266
344.5005 11.60723
344.9826 10.11596
345.4648 8.646362
345.9469 7.311829
346.4290 6.123726
346.9111 5.203735
347.3932 4.596100
347.8753 4.179367
348.3575 3.739693
348.8396 3.311607
349.3217 3.109718
349.8038 3.462151
350.2859 4.138031
350.7680 4.520111
351.2502 4.454506
351.7323 4.240349
352.2144 4.329254
352.6965 4.609283
353.1786 4.726318
353.6607 4.383041
354.1429 3.837280
354.6250 3.374863
355.1071 3.011497
355.5892 2.759819
356.0713 2.650200
356.5534 2.666656
357.0356 2.784752
357.5177 3.035782
357.9998 3.368652
358.4819 3.811249
358.9640 4.313248
359.4461 4.654701
359.9283 4.482544
360.4104 4.176163
360.8925 4.085777
361.3746 4.250961
361.8567 4.764786
362.3388 6.143806
362.8210 7.889175
363.3031 8.934425
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364.2673 6.830582
364.7494 7.087440
365.2315 9.262749
365.7137 10.97697
366.1958 11.67962
366.6779 11.70885
367.1600 11.45934
367.6421 10.31343
368.1242 9.549049
368.6064 9.536240
369.0885 10.31792
369.5706 10.98985
370.0527 11.57739
370.5348 12.05280
371.0169 12.42873
371.4991 12.66494
371.9812 12.93925
372.4633 13.42821
372.9454 13.95329
373.4275 13.81627
373.9096 12.61445
374.3918 11.42654
374.8739 10.67962
375.3560 10.34421
375.8381 10.78272
376.3202 12.38409
376.8023 14.16556
377.2845 14.36476
377.7666 12.62791
378.2487 11.23471
378.7308 11.01741
379.2129 11.81129
379.6950 12.72192
380.1772 13.85162
380.6593 14.60439
381.1414 14.14891
381.6235 12.63900
382.1056 11.51857
382.5877 11.24194
383.0699 11.29933
383.5520 10.58683
384.0341 9.182976
384.5162 7.959511
384.9983 7.546623
385.4804 7.693474
385.9626 7.892761
386.4447 8.110596
386.9268 8.291206
387.4089 8.652061
387.8910 8.941948
388.3731 8.587334
388.8553 6.359909
389.3374 3.981133
389.8195 3.248566
390.3016 4.117142
390.7837 5.368401
391.2658 6.552635
391.7480 7.596802
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393.1943 9.585495
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394.1585 8.191635
394.6407 7.404800
395.1228 7.319008
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396.0870 6.808060
396.5691 5.637695
397.0512 4.918259
397.5334 5.291534
398.0155 6.099586
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402.3545 3.099335
402.8366 1.313499
403.3188 1.9432001E-02
403.8009 0.6534960
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404.7651 0.8396760
405.2472 0.5412140
405.7293 0.3281480
406.2115 0.3850710
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407.6578 1.461624
408.1399 1.725700
408.6220 1.541054
409.1042 0.9183730
409.5863 0.3537450
410.0684 3.3371001E-02
410.5505 0.2702790
411.0326 0.4394230
411.5147 0.5399780
411.9969 0.5417940
412.4790 0.3880230
412.9611 0.1215360
413.4432 0.1520230
413.9253 0.4200060
414.4074 0.7021260
414.8896 1.104919
415.3717 1.544174
415.8538 1.818260
416.3359 1.852486
416.8180 1.661690
417.3001 1.101570
417.7823 0.1872330
418.2644 0.5036770
418.7465 0.4319380
419.2286 8.4876999E-02
419.7107 7.1198002E-02
420.1928 9.7740002E-02
420.6750 0.4548870
421.1571 1.083015
421.6392 1.872124
422.1213 2.521622
422.6034 3.031525
423.0855 3.316673
423.5677 3.198746
424.0498 2.389481
424.5319 2.183479
425.0140 3.332527
425.4961 4.822914
425.9782 5.620575
426.4604 5.158653
426.9425 4.846786
427.4246 5.009026
427.9067 5.535225
428.3888 5.565247
428.8709 4.750648
429.3531 4.056236
429.8352 4.087288
430.3173 5.010452
430.7994 5.851486
431.2815 6.650696
431.7636 7.249832
432.2458 7.311707
432.7279 6.809837
433.2100 6.187302
433.6921 5.485008
434.1742 4.795891
434.6563 4.558151
435.1385 4.780983
435.6206 5.061081
436.1027 5.017471
436.5848 4.759033
437.0669 4.546967
437.5490 4.376442
438.0312 4.405411
438.5133 5.022919
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