#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:53:04 +0300 (Thu, 07 Jun 2018) $
#$Revision: 987 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000444.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_1000444
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 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            R050385.rod
_rod_data_source.block           3500000
_rod_database.code               1000444
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
122.2448 0.0000000E+00
122.7269 3.987213
123.2090 9.059410
123.6911 11.34026
124.1732 9.694115
124.6553 7.191360
125.1375 6.428604
125.6196 7.100960
126.1017 8.275764
126.5838 9.643776
127.0659 11.08824
127.5480 12.54111
128.0302 14.20075
128.5123 15.56110
128.9944 15.96704
129.4765 15.52331
129.9586 15.05914
130.4407 15.69333
130.9229 16.95917
131.4050 16.77711
131.8871 14.24600
132.3692 10.54439
132.8513 9.301407
133.3334 9.751419
133.8156 9.556755
134.2977 8.781586
134.7798 8.190292
135.2619 8.057236
135.7440 8.526947
136.2261 9.480499
136.7083 10.24988
137.1904 10.60816
137.6725 11.40521
138.1546 14.34959
138.6367 20.30643
139.1188 23.62669
139.6010 22.24477
140.0831 16.19382
140.5652 11.46266
141.0473 8.273521
141.5294 5.832069
142.0115 3.439331
142.4937 0.9754330
142.9758 0.8751070
143.4579 1.929970
143.9400 2.127045
144.4221 1.871010
144.9042 1.092842
145.3864 3.0228000E-02
145.8685 1.136955
146.3506 2.208832
146.8327 3.288246
147.3148 4.479774
147.7969 6.462196
148.2791 8.502571
148.7612 9.863609
149.2433 10.72900
149.7254 11.47103
150.2075 10.80178
150.6896 10.40373
151.1718 10.95067
151.6539 13.47276
152.1360 15.29850
152.6181 16.35176
153.1002 16.73328
153.5823 16.89700
154.0645 17.84859
154.5466 18.38255
155.0287 17.90285
155.5108 15.50933
155.9929 13.10443
156.4750 10.90042
156.9572 8.886909
157.4393 7.084198
157.9214 5.387207
158.4035 3.943604
158.8856 2.838776
159.3677 1.921593
159.8499 1.505966
160.3320 1.908997
160.8141 3.003075
161.2962 4.043640
161.7783 5.000443
162.2604 5.674324
162.7426 5.904320
163.2247 5.232254
163.7068 4.472679
164.1889 3.964134
164.6710 3.702553
165.1531 3.521858
165.6353 3.194473
166.1174 2.953026
166.5995 3.047974
167.0816 4.051300
167.5637 5.060730
168.0458 5.303261
168.5280 4.771942
169.0101 4.474396
169.4922 5.583984
169.9743 7.224579
170.4564 8.165016
170.9385 7.729485
171.4207 6.488945
171.9028 4.664314
172.3849 2.236710
172.8670 2.0966001E-02
173.3491 1.471893
173.8312 2.321327
174.3134 2.678047
174.7955 2.136986
175.2776 1.345108
175.7597 1.179817
176.2418 1.752769
176.7239 2.359543
177.2061 2.269669
177.6882 1.682007
178.1703 1.141747
178.6524 0.9734730
179.1345 1.001503
179.6166 0.9217830
180.0988 0.6147460
180.5809 0.2771990
181.0630 2.5940000E-03
181.5451 0.1904910
182.0272 0.2284700
182.5093 0.2143100
182.9915 0.8316120
183.4736 0.8849790
183.9557 0.3126140
184.4378 0.7656330
184.9199 2.529808
185.4020 4.831924
185.8842 6.846352
186.3663 8.094368
186.8484 8.674461
187.3305 8.841286
187.8126 8.560242
188.2947 8.019829
188.7769 7.278374
189.2590 6.366211
189.7411 5.933250
190.2232 6.613121
190.7053 8.213661
191.1874 9.482658
191.6696 10.24128
192.1517 10.82317
192.6338 11.97155
193.1159 13.71302
193.5980 15.30928
194.0801 16.28455
194.5623 16.67075
195.0444 16.88854
195.5265 16.87209
196.0086 16.84353
196.4907 17.22894
196.9728 18.02742
197.4550 19.23401
197.9371 21.13024
198.4192 23.73660
198.9013 25.62061
199.3834 26.48533
199.8655 26.73789
200.3477 27.32230
200.8298 28.20077
201.3119 29.27406
201.7940 30.65692
202.2761 32.42390
202.7582 34.03551
203.2404 35.42253
203.7225 36.61490
204.2046 37.81411
204.6867 38.98532
205.1688 40.27247
205.6509 41.77668
206.1331 43.53600
206.6152 45.29728
207.0973 47.03653
207.5794 48.76596
208.0615 50.50426
208.5436 52.21838
209.0258 54.04000
209.5079 56.14384
209.9900 58.67044
210.4721 60.74700
210.9542 62.16548
211.4363 63.13353
211.9185 64.36633
212.4006 65.96477
212.8827 67.61974
213.3648 69.16676
213.8469 70.69740
214.3290 71.87133
214.8112 72.72138
215.2933 73.17983
215.7754 72.94164
216.2575 71.74523
216.7396 70.33015
217.2217 69.10539
217.7038 68.09126
218.1860 67.29979
218.6681 66.93372
219.1502 66.76508
219.6323 65.90614
220.1144 64.02573
220.5965 62.03316
221.0787 60.46222
221.5608 59.45404
222.0429 58.47806
222.5250 57.42496
223.0071 56.39445
223.4892 55.86134
223.9714 56.17206
224.4535 56.43491
224.9356 56.08325
225.4177 54.65426
225.8998 53.72427
226.3819 53.40887
226.8641 53.63390
227.3462 54.23210
227.8283 55.51167
228.3104 56.68056
228.7925 57.33745
229.2746 57.43828
229.7568 57.08746
230.2389 56.04514
230.7210 54.52495
231.2031 53.37849
231.6852 52.82868
232.1673 52.45121
232.6495 52.10938
233.1316 51.86723
233.6137 51.53426
234.0958 51.08923
234.5779 50.49982
235.0600 49.71247
235.5422 48.65363
236.0243 47.56869
236.5064 46.57049
236.9885 45.82067
237.4706 44.73666
237.9527 43.10992
238.4349 41.23453
238.9170 39.84863
239.3991 39.04475
239.8812 38.56918
240.3633 38.39842
240.8454 38.92386
241.3276 38.71757
241.8097 37.36335
242.2918 35.50270
242.7739 34.55156
243.2560 35.08665
243.7381 35.59656
244.2203 35.40437
244.7024 33.99361
245.1845 33.37534
245.6666 33.88056
246.1487 35.02067
246.6308 35.89797
247.1130 36.51061
247.5951 36.85835
248.0772 36.84733
248.5593 36.27135
249.0414 36.13488
249.5235 36.75821
250.0057 37.61764
250.4878 37.86871
250.9699 37.45518
251.4520 36.69412
251.9341 35.46894
252.4162 33.52642
252.8984 32.09461
253.3805 31.53098
253.8626 31.24529
254.3447 30.38783
254.8268 28.78349
255.3089 26.98201
255.7911 24.97962
256.2732 22.70290
256.7553 20.74213
257.2374 19.14045
257.7195 17.83191
258.2017 16.77888
258.6838 16.11470
259.1659 15.38377
259.6480 14.45995
260.1301 13.33862
260.6122 12.18198
261.0944 10.88313
261.5765 9.702797
262.0586 8.957413
262.5407 8.819542
263.0228 8.638107
263.5049 8.237251
263.9871 7.629288
264.4692 7.239502
264.9513 7.175552
265.4334 7.152817
265.9155 6.875916
266.3976 6.255157
266.8798 5.690742
267.3619 5.222000
267.8440 4.859573
268.3261 4.700569
268.8082 4.704254
269.2903 4.993370
269.7725 5.852211
270.2546 7.519432
270.7367 8.568192
271.2188 8.607437
271.7009 7.904350
272.1830 7.628990
272.6652 7.926193
273.1473 8.258926
273.6294 8.145432
274.1115 7.440544
274.5936 7.260635
275.0757 7.912292
275.5579 9.018867
276.0400 9.363388
276.5221 8.744972
277.0042 8.172516
277.4863 8.367523
277.9684 9.409004
278.4506 10.11093
278.9327 10.35516
279.4148 10.27029
279.8969 10.05423
280.3790 9.678062
280.8611 9.378189
281.3433 9.297150
281.8254 9.434143
282.3075 9.604454
282.7896 9.815674
283.2717 10.03313
283.7538 10.18739
284.2360 10.27566
284.7181 10.38338
285.2002 10.52438
285.6823 10.70609
286.1644 11.04269
286.6465 11.57331
287.1287 12.10394
287.6108 12.21301
288.0929 11.94123
288.5750 12.06505
289.0571 13.08009
289.5392 14.73098
290.0214 15.89639
290.5035 16.51173
290.9856 17.13410
291.4677 18.42042
291.9498 20.28072
292.4319 22.13486
292.9141 23.96799
293.3962 25.61207
293.8783 26.57295
294.3604 26.83894
294.8425 26.89494
295.3246 27.10979
295.8068 27.45093
296.2889 27.84776
296.7710 28.43559
297.2531 28.89627
297.7352 28.78075
298.2173 28.09157
298.6995 26.79824
299.1816 24.39103
299.6637 21.40086
300.1458 19.06979
300.6279 17.76447
301.1100 16.81062
301.5922 15.49207
302.0743 13.84135
302.5564 12.00286
303.0385 9.824043
303.5206 7.576546
304.0027 5.560234
304.4849 3.801796
304.9670 2.405548
305.4491 1.611725
305.9312 1.287079
306.4133 1.112198
306.8954 1.327393
307.3776 1.402695
307.8597 0.5352780
308.3418 1.432800
308.8239 3.127312
309.3060 3.296188
309.7881 2.564598
310.2703 1.914818
310.7524 1.675667
311.2345 1.707077
311.7166 2.192192
312.1987 3.090912
312.6808 3.471504
313.1630 2.204712
313.6451 0.3724370
314.1272 0.8698580
314.6093 0.7067870
315.0914 0.2653350
315.5735 1.1162000E-02
316.0557 7.8423001E-02
316.5378 0.1210250
317.0199 0.4424820
317.5020 0.5772090
317.9841 0.1443710
318.4662 1.330734
318.9484 2.790352
319.4305 3.898209
319.9126 4.729317
320.3947 5.480301
320.8768 6.263527
321.3589 6.939827
321.8411 7.389107
322.3232 7.414406
322.8053 7.652283
323.2874 8.244759
323.7695 9.118469
324.2516 10.15726
324.7338 11.78676
325.2159 13.17001
325.6980 13.95543
326.1801 13.96383
326.6622 14.12454
327.1443 14.52750
327.6265 15.10116
328.1086 15.77642
328.5907 16.45965
329.0728 17.33849
329.5549 18.40695
330.0370 19.67033
330.5192 21.27431
331.0013 23.59142
331.4834 25.94542
331.9655 27.91261
332.4476 29.51546
332.9297 30.67758
333.4119 31.22088
333.8940 31.29543
334.3761 31.60694
334.8582 32.47073
335.3403 33.06396
335.8224 32.84315
336.3046 31.35332
336.7867 30.49973
337.2688 30.73928
337.7509 31.30827
338.2330 30.51871
338.7151 27.99458
339.1973 25.30713
339.6794 23.03032
340.1615 21.20421
340.6436 19.31455
341.1257 17.30894
341.6078 15.40075
342.0899 13.92786
342.5721 12.94943
343.0542 11.94890
343.5363 10.67991
344.0184 9.289436
344.5005 8.496391
344.9826 8.373383
345.4648 8.369095
345.9469 7.948837
346.4290 7.164711
346.9111 6.504784
347.3932 6.107018
347.8753 5.804115
348.3575 5.229881
348.8396 4.416458
349.3217 3.692879
349.8038 3.360077
350.2859 3.269417
350.7680 3.029839
351.2502 2.539688
351.7323 2.127029
352.2144 2.367424
352.6965 3.088417
353.1786 3.650948
353.6607 3.395813
354.1429 2.780777
354.6250 2.525078
355.1071 2.735519
355.5892 2.956215
356.0713 2.617287
356.5534 2.038589
357.0356 1.711678
357.5177 1.849091
357.9998 2.248116
358.4819 2.893188
358.9640 3.725098
359.4461 4.454758
359.9283 5.123039
360.4104 5.562012
360.8925 5.559837
361.3746 4.681839
361.8567 4.081543
362.3388 4.421936
362.8210 5.296036
363.3031 5.971046
363.7852 6.149391
364.2673 6.155060
364.7494 6.073372
365.2315 5.795441
365.7137 5.701202
366.1958 5.917297
366.6779 6.239861
367.1600 6.544746
367.6421 7.033791
368.1242 7.370140
368.6064 7.361275
369.0885 6.967590
369.5706 6.764832
370.0527 6.939705
370.5348 7.145454
371.0169 7.219025
371.4991 6.922607
371.9812 6.859039
372.4633 7.208740
372.9454 7.811607
373.4275 8.052689
373.9096 7.708298
374.3918 7.402084
374.8739 7.465019
375.3560 8.052757
375.8381 8.291817
376.3202 8.021355
376.8023 7.589966
377.2845 7.622025
377.7666 8.236992
378.2487 8.640541
378.7308 8.437935
379.2129 7.761086
379.6950 7.664810
380.1772 8.277695
380.6593 8.861572
381.1414 8.567360
381.6235 7.476082
382.1056 6.466339
382.5877 5.648308
383.0699 5.126755
383.5520 5.334587
384.0341 6.189095
384.5162 6.832504
384.9983 6.450981
385.4804 5.504433
385.9626 5.049431
386.4447 5.261261
386.9268 5.580559
387.4089 5.333237
387.8910 4.752510
388.3731 4.369995
388.8553 4.524010
389.3374 4.919167
389.8195 5.403358
390.3016 5.946579
390.7837 6.252068
391.2658 5.969070
391.7480 5.417168
392.2301 4.924179
392.7122 4.585312
393.1943 4.315491
393.6764 4.048492
394.1585 3.818207
394.6407 3.724113
395.1228 3.838379
395.6049 4.064911
396.0870 4.436577
396.5691 5.104172
397.0512 5.423035
397.5334 5.030884
398.0155 4.299690
398.4976 3.701691
398.9797 3.405426
399.4618 3.108025
399.9439 2.663109
400.4261 2.071934
400.9082 1.830803
401.3903 2.203888
401.8724 2.674145
402.3545 2.933338
402.8366 2.992554
403.3188 2.782883
403.8009 2.148178
404.2830 1.308552
404.7651 0.8597450
405.2472 0.9345590
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406.2115 0.9031180
406.6936 0.5346220
407.1757 0.4410320
407.6578 0.6993560
408.1399 1.024673
408.6220 1.165638
409.1042 1.119801
409.5863 0.6864430
410.0684 0.4484060
410.5505 1.799488
411.0326 2.054108
411.5147 1.248470
411.9969 0.4843560
412.4790 0.7117500
412.9611 1.553352
413.4432 2.120449
413.9253 2.295315
414.4074 2.208363
414.8896 1.930378
415.3717 1.498383
415.8538 0.9988170
416.3359 0.3609700
416.8180 0.2512930
417.3001 0.7387080
417.7823 1.096916
418.2644 1.185932
418.7465 0.5307270
419.2286 0.2459340
419.7107 0.5025140
420.1928 0.4405630
420.6750 1.226269
421.1571 1.058960
421.6392 0.3200530
422.1213 4.2110002E-03
422.6034 0.8632350
423.0855 1.779720
423.5677 2.300083
424.0498 2.301979
424.5319 2.210415
425.0140 1.959255
425.4961 1.676373
425.9782 1.493355
426.4604 1.506424
426.9425 1.473728
427.4246 1.287773
427.9067 1.001186
428.3888 1.043457
428.8709 1.653564
429.3531 2.170605
429.8352 2.167789
430.3173 1.513844
430.7994 0.9757190
431.2815 0.5288050
431.7636 0.2725180
432.2458 0.5117490
432.7279 1.286911
433.2100 1.860470
433.6921 1.902790
434.1742 1.552284
434.6563 1.292625
435.1385 1.120651
435.6206 1.012703
436.1027 1.035900
436.5848 1.109909
437.0669 0.9543950
437.5490 0.4041480
438.0312 0.1060490
438.5133 9.9613003E-02
438.9954 0.3433840
439.4775 1.000771
439.9596 1.964367
440.4417 2.962799
440.9239 3.838089
441.4060 4.581638
441.8881 4.972038
442.3702 4.528572
442.8523 3.829487
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