#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:34:03 +0300 (Thu, 24 May 2018) $
#$Revision: 730 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100020.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_8100020
loop_
_publ_author_name
'Kubel, F.'
'Crottaz, O.'
_publ_section_title
;
 Crystal structure of manganese chlorine boracite, Mn3B7O13Cl Locality:
 synthetic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              924
_journal_page_last               924
_journal_volume                  211
_journal_year                    1996
_chemical_compound_source        R060425
_chemical_formula_sum            'B7 Cl Mn3 O13'
_chemical_name_mineral           Chambersite
_space_group_IT_number           29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.678
_cell_length_b                   8.688
_cell_length_c                   12.290
_cell_volume                     926.598
_exptl_crystal_density_diffrn    3.469
_cod_original_formula_sum        'Mn3 B7 O13 Cl'
_cod_database_code               9008435
_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            R060425.rod
_rod_data_source.block           3500000
_rod_database.code               8100020
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 9008435 COD http://www.crystallography.net/cod/9008435.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
195.6546 0.0000000E+00
196.1367 2.753042
196.6188 4.123974
197.1009 5.002609
197.5831 6.085278
198.0652 4.947515
198.5473 2.763720
199.0294 0.7911260
199.5115 0.2245600
199.9937 0.1533970
200.4758 0.1182660
200.9579 0.9440730
201.4400 2.729452
201.9221 5.448456
202.4042 7.885831
202.8864 10.15029
203.3685 12.11857
203.8506 14.33303
204.3327 17.30538
204.8148 18.93559
205.2969 17.55166
205.7791 12.67378
206.2612 8.690250
206.7433 5.795885
207.2254 3.632428
207.7075 1.649446
208.1896 0.8572460
208.6718 2.037738
209.1539 2.107794
209.6360 0.8488900
210.1181 0.6059060
210.6002 1.615103
211.0823 2.601493
211.5645 4.012395
212.0466 6.093355
212.5287 8.033718
213.0108 9.569280
213.4929 10.95178
213.9750 10.99425
214.4572 9.174856
214.9393 6.167846
215.4214 3.733923
215.9035 1.874620
216.3856 0.5796820
216.8678 0.1177260
217.3499 0.1973090
217.8320 0.3563460
218.3141 1.642418
218.7962 3.519475
219.2783 5.618604
219.7605 8.075073
220.2426 10.46996
220.7247 12.55738
221.2068 14.25721
221.6889 15.84626
222.1710 17.24892
222.6532 18.54935
223.1353 20.00480
223.6174 21.64274
224.0995 23.42260
224.5816 25.24481
225.0637 26.85219
225.5459 29.27321
226.0280 32.89051
226.5101 37.31046
226.9922 41.09393
227.4743 44.01019
227.9564 46.88424
228.4386 50.07753
228.9207 53.64812
229.4028 55.90155
229.8849 56.54057
230.3670 56.08357
230.8492 55.83066
231.3313 55.25100
231.8134 55.33226
232.2955 56.72089
232.7776 59.74136
233.2597 62.51464
233.7419 65.11610
234.2240 67.63190
234.7061 70.09818
235.1882 72.89488
235.6703 75.05926
236.1524 76.53412
236.6346 76.19402
237.1167 76.20469
237.5988 76.50170
238.0809 77.14487
238.5630 78.67429
239.0451 81.57222
239.5273 84.72742
240.0094 87.82836
240.4915 91.13258
240.9736 93.89309
241.4557 96.40449
241.9378 98.43160
242.4200 99.48699
242.9021 100.2893
243.3842 98.90130
243.8663 94.35878
244.3484 85.65472
244.8306 76.16587
245.3127 65.26588
245.7948 54.00346
246.2769 44.33350
246.7590 36.55682
247.2411 30.02352
247.7233 24.51048
248.2054 19.93390
248.6875 16.79513
249.1696 15.72452
249.6517 15.69928
250.1338 15.00034
250.6160 12.97269
251.0981 11.42866
251.5802 11.07798
252.0623 12.21621
252.5444 12.97112
253.0265 12.97101
253.5087 12.98170
253.9908 14.01074
254.4729 16.83839
254.9550 19.21928
255.4371 20.32431
255.9192 20.05949
256.4014 19.82753
256.8835 19.41939
257.3656 19.12410
257.8477 19.20302
258.3298 19.93361
258.8120 20.71384
259.2941 21.45140
259.7762 22.09301
260.2583 22.65858
260.7404 23.30849
261.2225 23.61351
261.7047 23.17950
262.1868 21.70098
262.6689 20.49669
263.1510 19.88456
263.6331 19.90737
264.1152 19.24684
264.5974 17.45428
265.0795 15.68690
265.5616 15.25883
266.0437 16.66412
266.5258 17.50067
267.0079 17.09811
267.4901 15.77687
267.9722 15.89258
268.4543 18.00908
268.9364 20.33428
269.4185 21.37966
269.9006 20.89843
270.3828 20.16999
270.8649 19.26415
271.3470 18.25132
271.8291 17.57023
272.3112 17.43377
272.7933 16.99630
273.2755 15.55308
273.7576 12.95451
274.2397 10.28149
274.7218 7.570552
275.2039 4.959610
275.6860 2.877192
276.1682 1.379004
276.6503 0.1419750
277.1324 7.1067996E-02
277.6145 1.423571
278.0966 2.031543
278.5787 1.486982
279.0609 0.2348140
279.5430 0.4876280
280.0251 0.5484710
280.5072 1.217349
280.9893 1.259400
281.4715 0.6743800
281.9536 6.7429999E-03
282.4357 0.6961770
282.9178 1.9428000E-02
283.3999 0.2824510
283.8820 4.3963999E-02
284.3642 0.8326690
284.8463 0.4109830
285.3284 0.5041760
285.8105 0.5390450
286.2926 1.044429
286.7747 1.121134
287.2569 0.7816130
287.7390 4.2870000E-02
288.2211 0.6708800
288.7032 0.6222400
289.1853 0.2521340
289.6674 6.9090001E-02
290.1496 8.7702997E-02
290.6317 0.1914520
291.1138 0.3862020
291.5959 0.6177320
292.0780 0.4965290
292.5602 0.2909120
293.0423 1.449430
293.5244 2.142098
294.0065 2.343574
294.4886 2.573935
294.9707 3.313854
295.4529 4.484309
295.9350 5.773943
296.4171 7.078224
296.8992 8.496712
297.3813 10.26400
297.8634 12.34682
298.3456 14.46931
298.8277 16.49254
299.3098 18.37968
299.7919 20.03979
300.2740 21.44699
300.7561 22.60935
301.2383 23.64556
301.7204 24.48657
302.2025 24.73820
302.6846 23.84873
303.1667 22.30731
303.6488 20.88638
304.1310 19.81989
304.6131 18.55730
305.0952 16.31387
305.5773 13.40919
306.0594 10.71781
306.5415 8.722656
307.0237 7.137372
307.5058 5.595864
307.9879 4.042607
308.4700 2.728392
308.9521 1.902743
309.4343 1.447559
309.9164 1.128085
310.3985 1.114533
310.8806 1.000999
311.3627 0.4171130
311.8448 0.6575990
312.3270 1.509842
312.8091 6.4897001E-02
313.2912 1.163093
313.7733 1.516848
314.2554 0.1175410
314.7375 1.553862
315.2197 0.3883080
315.7018 0.1777160
316.1839 0.2008650
316.6660 1.100445
317.1481 1.131080
317.6302 0.6806230
318.1124 1.279104
318.5945 0.1171140
319.0766 0.2123430
319.5587 1.679763
320.0408 1.612468
320.5229 0.1092530
321.0051 2.270812
321.4872 3.421651
321.9693 2.314497
322.4514 1.464138
322.9335 1.530551
323.4156 2.177999
323.8978 2.760908
324.3799 3.365647
324.8620 3.707928
325.3441 3.553222
325.8262 2.569842
326.3083 2.091946
326.7905 2.282535
327.2726 3.013673
327.7547 4.120795
328.2368 6.308355
328.7189 8.132853
329.2010 8.984343
329.6832 8.665182
330.1653 9.504033
330.6474 12.43324
331.1295 15.84783
331.6116 18.47838
332.0938 19.97504
332.5759 21.22489
333.0580 22.27581
333.5401 23.15126
334.0222 23.89974
334.5043 24.30606
334.9865 24.82268
335.4686 25.71836
335.9507 27.05895
336.4328 28.80559
336.9149 30.86140
337.3970 33.41588
337.8792 37.06140
338.3613 42.02305
338.8434 47.41372
339.3255 52.88676
339.8076 58.43235
340.2898 64.37499
340.7719 71.19287
341.2540 77.85370
341.7361 82.96693
342.2182 86.31438
342.7003 88.92862
343.1825 90.69492
343.6646 91.89409
344.1467 93.93252
344.6288 96.85879
345.1109 100.6411
345.5930 105.5135
346.0752 111.3046
346.5573 117.3683
347.0394 123.5858
347.5215 129.9704
348.0036 136.6703
348.4857 143.6579
348.9679 151.0897
349.4500 159.1253
349.9321 167.8057
350.4142 177.1664
350.8963 187.2599
351.3784 197.8802
351.8606 209.2457
352.3427 220.9279
352.8248 231.5930
353.3069 239.6859
353.7890 246.4847
354.2711 254.4777
354.7533 264.1332
355.2354 272.2041
355.7175 277.6991
356.1996 279.4283
356.6817 275.3131
357.1638 262.6644
357.6460 245.1619
358.1281 223.7592
358.6102 198.9614
359.0923 174.9095
359.5744 152.8949
360.0565 133.4680
360.5387 117.2303
361.0208 105.0421
361.5029 95.15244
361.9850 87.64106
362.4671 82.01342
362.9492 76.86981
363.4314 71.47365
363.9135 66.61143
364.3956 62.75842
364.8777 60.15337
365.3598 58.06920
365.8419 57.17550
366.3241 56.53414
366.8062 54.73867
367.2883 50.50537
367.7704 46.15222
368.2526 42.20633
368.7347 38.67379
369.2168 35.56326
369.6989 33.11077
370.1810 30.83048
370.6631 28.39242
371.1453 25.42109
371.6274 22.66431
372.1095 20.32850
372.5916 18.26114
373.0737 16.30432
373.5558 14.28100
374.0380 12.45268
374.5201 10.84743
375.0022 9.452715
375.4843 8.622967
375.9664 8.478988
376.4485 8.865577
376.9307 9.300607
377.4128 9.743519
377.8949 10.05808
378.3770 10.20288
378.8591 10.11103
379.3412 10.09419
379.8234 10.13014
380.3055 10.27776
380.7876 10.68470
381.2697 11.33692
381.7518 11.87490
382.2339 12.19659
382.7161 12.34746
383.1982 12.34651
383.6803 12.20281
384.1624 12.18309
384.6445 12.52554
385.1266 13.14576
385.6088 13.88625
386.0909 14.77891
386.5730 15.60675
387.0551 16.07773
387.5372 16.26150
388.0193 16.36408
388.5015 16.38542
388.9836 16.48793
389.4657 17.04151
389.9478 18.06837
390.4299 18.79780
390.9120 18.40024
391.3942 17.48899
391.8763 16.82507
392.3584 16.70393
392.8405 16.86209
393.3226 17.10001
393.8047 17.47760
394.2869 18.28444
394.7690 19.93125
395.2511 21.78959
395.7332 23.45434
396.2154 24.70622
396.6975 26.11325
397.1796 27.67429
397.6617 29.50096
398.1438 31.75780
398.6259 35.35578
399.1081 38.61870
399.5902 40.92960
400.0723 42.20085
400.5544 42.96965
401.0365 43.49475
401.5186 43.43160
402.0008 42.43195
402.4829 40.13454
402.9650 37.49964
403.4471 34.39808
403.9292 31.06911
404.4113 28.49882
404.8935 26.93630
405.3756 25.52282
405.8577 23.83136
406.3398 21.85775
406.8219 19.67896
407.3040 17.18228
407.7862 14.83945
408.2683 13.55829
408.7504 13.30948
409.2325 12.79826
409.7146 11.40227
410.1967 9.497659
410.6789 8.141441
411.1610 7.298782
411.6431 6.692734
412.1252 6.259202
412.6073 5.933377
413.0894 5.525677
413.5716 5.014856
414.0537 4.397817
414.5358 3.621448
415.0179 2.729173
415.5000 1.835566
415.9821 0.7371750
416.4643 0.1778550
416.9464 0.3716770
417.4285 0.2370240
417.9106 0.9022400
418.3927 1.178029
418.8748 1.225187
419.3570 1.229115
419.8391 1.381083
420.3212 1.384988
420.8033 0.9312000
421.2854 0.1559560
421.7675 0.3145620
422.2497 0.1742900
422.7318 0.2464960
423.2139 0.7620800
423.6960 1.187251
424.1781 1.963842
424.6602 3.871294
425.1424 5.968938
425.6245 6.817865
426.1066 5.118656
426.5887 3.829188
427.0709 3.847070
427.5530 5.158150
428.0351 5.550721
428.5172 4.481870
428.9993 3.398779
429.4814 3.590953
429.9636 5.492463
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431.4099 5.963934
431.8920 5.525201
432.3741 5.282672
432.8563 5.118043
433.3384 4.795429
433.8205 4.434733
434.3026 4.819253
434.7847 6.134951
435.2668 7.429432
435.7490 7.539360
436.2311 6.771994
436.7132 6.215227
437.1953 6.177716
437.6774 6.447994
438.1595 6.986846
438.6417 7.666750
439.1238 7.958678
439.6059 7.205040
440.0880 6.075279
440.5701 5.302578
441.0522 5.007353
441.5344 4.763044
442.0165 4.391722
442.4986 3.887593
442.9807 3.244292
443.4628 2.187339
443.9449 1.257311
444.4271 0.8260560
444.9092 0.7776470
445.3913 0.4415070
445.8734 0.8622590
446.3555 0.4685400
446.8376 0.1614690
447.3198 0.2829370
447.8019 0.5653470
448.2840 0.5279760
448.7661 0.3668810
449.2482 0.3761590
449.7303 0.7826470
450.2125 0.9628820
450.6946 0.6862200
451.1767 6.3000002E-04
451.6588 0.3911360
452.1409 0.4550360
452.6230 0.3014270
453.1052 4.6918001E-02
453.5873 0.6129780
454.0694 0.8865320
454.5515 0.1151990
455.0337 0.3897060
455.5158 0.5555500
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456.4800 2.299639
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457.4442 0.6865510
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460.8191 0.1616930
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463.2296 0.6614550
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466.6045 0.6065230
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467.5687 0.6708220
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469.0150 0.4565880
469.4972 2.261635
469.9793 3.631315
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470.9435 3.380264
471.4256 2.747302
471.9077 2.035721
472.3899 1.507310
472.8720 1.517978
473.3541 2.136099
473.8362 2.526462
474.3183 2.503232
474.8004 2.121467
475.2826 1.598287
475.7647 0.9604000
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478.6574 5.134546
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479.6216 1.780713
480.1037 0.3265100
480.5858 2.0834999E-02
481.0680 3.7349001E-02
481.5501 0.1835130
482.0322 0.3765810
482.5143 0.5287400
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483.4786 0.7394310
483.9607 0.4585110
484.4428 0.1949500
484.9249 0.4719990
485.4070 0.2776750
485.8892 1.073329
486.3713 1.078428
486.8534 9.6807003E-02
487.3355 0.9022760
487.8176 0.2932900
488.2997 0.1466110
488.7819 0.5172540
489.2640 0.2635540
489.7461 0.7368070
490.2282 0.9312870
490.7103 0.3583750
491.1924 0.4264750
491.6746 0.5348560
492.1567 1.527504
492.6388 2.141917
493.1209 2.394987
493.6030 2.314956
494.0851 1.821546
494.5673 1.237901
495.0494 0.9617480
495.5315 0.9784730
496.0136 1.242607
496.4957 2.085983
496.9778 2.956126
497.4600 3.130836
497.9421 2.675054
498.4242 2.269865
498.9063 2.345344
499.3884 2.637358
499.8705 2.861552
500.3527 2.768129
500.8348 3.091799
501.3169 4.824623
501.7990 6.927381
502.2811 7.939760
502.7632 5.840619
503.2454 4.505347
503.7275 5.108857
504.2096 7.465418
504.6917 9.203463
505.1738 10.04437
505.6559 10.65746
506.1381 11.41412
506.6202 12.43637
507.1023 13.07962
507.5844 13.25373
508.0665 13.21336
508.5486 13.35310
509.0308 13.68275
509.5129 13.73887
509.9950 13.47962
510.4771 12.85491
510.9592 11.39176
511.4413 9.208075
511.9235 7.473126
512.4056 7.058249
512.8877 7.380963
513.3698 7.573301
513.8519 7.601325
514.3340 7.588851
514.8162 8.050226
515.2983 8.554082
515.7804 8.451763
516.2625 6.506822
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