#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:36:49 +0300 (Thu, 26 Apr 2018) $
#$Revision: 505 $
#$URL: svn://172.16.1.111/rod/cif/8/10/00/8100007.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_8100007
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 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            R060425.rod
_rod_data_source.block           3500000
_rod_database.code               8100007
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
185.1003 0.0000000E+00
185.5824 1.758026
186.0645 3.485062
186.5466 5.184418
187.0287 6.153641
187.5108 8.437302
187.9930 7.594055
188.4751 5.690781
188.9572 3.201385
189.4393 0.4180450
189.9214 0.4931340
190.4035 2.063385
190.8857 4.968903
191.3678 7.372513
191.8499 9.558350
192.3320 10.86447
192.8141 11.39748
193.2962 11.38550
193.7784 10.39388
194.2605 7.865311
194.7426 5.458298
195.2247 3.491165
195.7068 2.392700
196.1889 2.674591
196.6711 3.033508
197.1532 3.230576
197.6353 3.047180
198.1174 1.903244
198.5995 1.304688
199.0816 2.381470
199.5638 4.900574
200.0459 7.538605
200.5280 9.710785
201.0101 11.45444
201.4922 12.80113
201.9743 14.09563
202.4565 14.78564
202.9386 14.14706
203.4207 12.15375
203.9028 9.837387
204.3849 7.535660
204.8670 5.324997
205.3492 3.297195
205.8313 1.346542
206.3134 0.2564390
206.7955 1.178772
207.2776 1.399857
207.7597 0.9965820
208.2419 0.3034210
208.7240 2.086227
209.2061 4.122604
209.6882 6.495575
210.1703 8.780228
210.6524 10.29768
211.1346 11.05226
211.6167 10.93047
212.0988 9.272339
212.5809 7.094162
213.0630 5.275131
213.5451 4.153595
214.0273 3.657928
214.5094 3.735275
214.9915 4.848160
215.4736 5.698929
215.9557 5.615295
216.4378 5.420364
216.9200 6.026581
217.4021 7.816681
217.8842 10.31076
218.3663 12.23166
218.8484 13.13547
219.3305 14.07262
219.8127 15.29758
220.2948 16.53494
220.7769 17.47633
221.2590 17.94653
221.7411 18.22124
222.2232 19.20319
222.7054 21.93359
223.1875 24.20599
223.6696 25.62648
224.1517 26.67317
224.6338 27.69890
225.1159 28.92055
225.5980 30.35751
226.0802 32.08710
226.5623 35.49939
227.0444 37.53438
227.5265 37.17311
228.0086 35.53914
228.4907 33.87955
228.9729 32.64195
229.4550 31.95839
229.9371 32.55014
230.4192 35.31546
230.9013 37.35733
231.3834 37.75667
231.8656 37.45099
232.3477 37.81432
232.8298 39.64012
233.3119 42.14810
233.7940 43.50577
234.2761 43.31841
234.7583 43.21819
235.2404 43.29413
235.7225 43.75494
236.2046 44.98250
236.6867 47.12248
237.1688 50.01643
237.6510 53.70676
238.1331 58.35727
238.6152 62.56589
239.0973 66.46777
239.5794 69.54839
240.0615 70.70764
240.5437 69.58473
241.0258 66.52318
241.5079 61.64195
241.9900 55.01587
242.4721 48.05945
242.9542 41.25862
243.4364 34.56136
243.9185 28.57788
244.4006 23.44254
244.8827 19.08455
245.3648 15.40707
245.8469 12.36928
246.3290 9.900513
246.8112 8.123749
247.2933 6.889801
247.7754 5.684174
248.2575 4.375961
248.7396 3.511703
249.2217 3.659409
249.7039 4.593658
250.1860 5.601151
250.6681 6.296188
251.1502 6.760147
251.6323 7.356033
252.1144 8.315887
252.5966 9.084778
253.0787 9.076767
253.5608 8.567276
254.0429 8.320663
254.5250 9.161148
255.0071 10.66022
255.4893 10.98071
255.9714 9.375381
256.4535 7.761765
256.9356 6.817596
257.4177 6.392426
257.8998 6.360428
258.3820 6.876892
258.8641 7.720474
259.3462 8.024521
259.8283 7.352234
260.3104 6.850311
260.7925 7.213867
261.2747 7.829910
261.7568 7.718750
262.2389 6.199310
262.7210 4.035049
263.2031 3.576233
263.6852 6.050476
264.1674 8.152618
264.6495 8.698532
265.1316 8.722778
265.6137 9.468277
266.0958 11.55408
266.5779 14.18300
267.0601 15.45711
267.5422 14.42319
268.0243 13.66676
268.5064 14.05295
268.9885 14.58890
269.4706 14.34250
269.9528 12.99048
270.4349 10.98048
270.9170 9.096146
271.3991 7.182053
271.8812 5.786224
272.3633 5.531158
272.8455 5.360474
273.3276 4.319397
273.8097 2.234543
274.2918 0.1921840
274.7739 1.945313
275.2560 2.998184
275.7382 3.312683
276.2202 2.431671
276.7024 1.333878
277.1845 0.7980040
277.6666 0.8305820
278.1487 0.7152100
278.6308 0.5286710
279.1129 3.466293
279.5951 5.550064
280.0772 6.789154
280.5593 7.358810
281.0414 7.051910
281.5235 6.063293
282.0056 4.977600
282.4878 4.374084
282.9699 4.341980
283.4520 4.119598
283.9341 3.489670
284.4162 2.907349
284.8983 2.552277
285.3805 2.403885
285.8626 2.340027
286.3447 2.249405
286.8268 2.138519
287.3089 2.370209
287.7910 3.404572
288.2732 4.256989
288.7553 4.509521
289.2374 4.381622
289.7195 4.320114
290.2016 4.604446
290.6837 5.152863
291.1659 5.509781
291.6480 5.308823
292.1301 5.342476
292.6122 5.740623
293.0943 6.450874
293.5764 7.403809
294.0586 8.573715
294.5407 9.942223
295.0228 11.46692
295.5049 13.51077
295.9870 15.26498
296.4691 16.42751
296.9513 17.40503
297.4334 18.81362
297.9155 20.81727
298.3976 22.79865
298.8797 23.71010
299.3618 23.01015
299.8440 22.08361
300.3261 20.58981
300.8082 19.09312
301.2903 18.21528
301.7724 18.00441
302.2545 17.77692
302.7367 16.66863
303.2188 14.32791
303.7009 12.45664
304.1830 11.49383
304.6651 10.57465
305.1472 9.049652
305.6294 6.979790
306.1115 4.925056
306.5936 3.355270
307.0757 2.295570
307.5578 1.450638
308.0399 0.9947890
308.5221 0.5362550
309.0042 0.2675630
309.4863 1.234184
309.9684 1.833557
310.4505 1.683632
310.9326 0.9164810
311.4148 0.4354860
311.8969 0.1002810
312.3790 0.1439590
312.8611 1.112099
313.3432 2.412834
313.8253 3.091003
314.3075 2.691269
314.7896 1.512245
315.2717 0.2745670
315.7538 1.730606
316.2359 2.767944
316.7180 1.708839
317.2001 4.7568999E-02
317.6823 0.3864900
318.1644 0.9046940
318.6465 2.741875
319.1286 3.274170
319.6107 1.419212
320.0928 0.8863980
320.5750 2.959206
321.0571 5.426582
321.5392 6.402374
322.0213 5.788536
322.5034 4.992210
322.9855 5.435616
323.4677 7.334885
323.9498 9.090866
324.4319 11.01115
324.9140 12.52786
325.3961 12.99524
325.8782 12.74687
326.3604 12.76543
326.8425 13.74060
327.3246 15.60891
327.8067 17.69897
328.2888 20.13456
328.7709 22.61385
329.2531 24.98701
329.7352 27.36381
330.2173 29.99761
330.6994 33.02609
331.1815 36.21766
331.6636 38.96622
332.1458 40.44205
332.6279 42.33710
333.1100 45.06059
333.5921 48.14855
334.0742 51.00683
334.5563 53.49667
335.0385 56.28127
335.5206 60.34104
336.0027 66.20566
336.4848 72.26106
336.9669 79.04337
337.4490 85.54536
337.9312 91.40219
338.4133 96.45258
338.8954 100.3765
339.3775 102.8465
339.8596 103.8068
340.3417 103.9924
340.8239 103.0713
341.3060 101.8469
341.7881 100.1769
342.2702 98.42966
342.7523 97.25763
343.2344 97.07266
343.7166 97.76009
344.1987 98.77184
344.6808 99.96700
345.1629 101.7195
345.6450 104.2101
346.1271 107.2144
346.6093 110.5752
347.0914 114.1945
347.5735 117.9610
348.0556 121.5670
348.5377 124.7231
349.0198 128.3041
349.5020 131.6910
349.9841 135.8736
350.4662 141.8035
350.9483 149.3757
351.4304 157.6303
351.9125 165.7697
352.3947 174.0897
352.8768 180.1546
353.3589 184.4181
353.8410 186.0163
354.3231 184.9141
354.8052 180.8532
355.2874 173.0589
355.7695 160.6436
356.2516 144.4570
356.7337 128.9251
357.2158 113.0535
357.6979 99.44364
358.1800 88.58807
358.6621 80.00865
359.1443 73.56056
359.6264 69.13702
360.1085 65.95602
360.5906 62.50285
361.0727 58.32565
361.5548 55.09717
362.0370 53.96441
362.5191 53.03059
363.0012 51.02205
363.4833 47.88316
363.9654 44.55340
364.4475 41.89204
364.9297 39.91605
365.4118 38.42642
365.8939 38.45943
366.3760 37.80832
366.8581 35.10709
367.3402 31.06142
367.8224 27.22041
368.3045 24.54586
368.7866 22.78310
369.2687 21.05297
369.7508 19.27612
370.2329 17.67017
370.7151 16.41956
371.1972 15.20892
371.6793 13.75048
372.1614 12.00851
372.6435 10.28460
373.1256 8.839645
373.6078 7.621407
374.0899 6.655128
374.5720 5.851425
375.0541 5.414856
375.5362 5.613266
376.0183 6.410973
376.5005 7.247963
376.9826 7.680534
377.4647 7.835518
377.9468 8.270874
378.4289 9.159752
378.9110 10.05170
379.3932 10.60139
379.8753 10.93111
380.3574 11.24046
380.8395 11.45036
381.3216 11.80136
381.8037 12.78133
382.2859 14.41185
382.7680 15.69840
383.2501 16.05084
383.7322 15.88913
384.2143 15.96057
384.6964 16.36770
385.1786 16.69427
385.6607 16.54801
386.1428 16.17482
386.6249 16.13111
387.1070 16.68607
387.5891 17.37204
388.0713 17.66011
388.5534 17.62340
389.0355 17.42779
389.5176 16.87821
389.9997 16.30896
390.4818 16.03429
390.9640 16.06802
391.4461 16.32167
391.9282 16.74444
392.4103 17.37607
392.8924 18.28291
393.3745 19.36453
393.8567 20.72977
394.3388 22.64857
394.8209 24.90643
395.3030 27.04655
395.7851 28.93934
396.2672 30.50269
396.7494 31.54552
397.2315 31.67452
397.7136 32.27060
398.1957 34.14815
398.6778 35.99653
399.1599 36.76613
399.6420 36.36853
400.1241 35.27603
400.6063 33.85104
401.0884 32.07393
401.5705 29.82826
402.0526 26.27773
402.5347 23.25409
403.0168 21.50385
403.4990 20.61172
403.9811 19.93758
404.4632 19.18181
404.9453 18.38601
405.4274 17.67860
405.9095 17.42458
406.3917 16.62241
406.8738 14.74767
407.3559 12.77538
407.8380 11.59215
408.3201 11.24393
408.8022 10.82925
409.2844 9.188202
409.7665 6.159241
410.2486 4.642761
410.7307 6.257324
411.2128 7.703560
411.6949 7.823288
412.1771 7.169502
412.6592 6.778275
413.1413 7.232208
413.6234 7.969299
414.1055 7.618782
414.5876 5.655708
415.0698 4.205208
415.5519 4.295204
416.0340 4.726479
416.5161 4.608818
416.9982 3.868332
417.4803 3.237671
417.9625 3.510612
418.4446 4.519638
418.9267 5.083252
419.4088 4.921471
419.8909 4.663376
420.3730 4.662956
420.8552 4.870392
421.3373 5.211273
421.8194 5.679306
422.3015 6.335892
422.7836 7.273087
423.2657 8.405487
423.7479 9.190765
424.2300 9.357826
424.7121 9.150253
425.1942 8.900246
425.6763 8.567162
426.1584 8.477730
426.6406 9.116989
427.1227 9.922676
427.6048 9.845505
428.0869 8.666801
428.5690 7.441811
429.0511 7.245079
429.5333 8.067764
430.0154 8.268738
430.4975 7.337112
430.9796 6.256538
431.4617 5.503609
431.9438 5.044754
432.4260 4.651390
432.9081 4.172882
433.3902 3.880943
433.8723 4.483528
434.3544 7.168274
434.8365 8.762474
435.3187 8.479256
435.8008 7.521828
436.2829 6.739250
436.7650 6.298470
437.2471 6.083488
437.7292 6.031105
438.2114 6.152412
438.6935 5.967003
439.1756 5.099380
439.6577 4.338844
440.1398 3.945183
440.6219 3.740891
441.1040 3.536690
441.5862 3.253143
442.0683 2.804054
442.5504 1.889153
443.0325 0.1054080
443.5146 0.9043500
443.9967 0.1241910
444.4789 0.7339100
444.9610 0.6675030
445.4431 0.1737820
445.9252 0.9483570
446.4073 0.9574050
446.8894 0.4337460
447.3716 0.3257060
447.8537 0.8351440
448.3358 1.256943
448.8179 1.141037
449.3000 0.8366780
449.7821 0.7849270
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450.7464 1.393402
451.2285 0.7676470
451.7106 0.5007710
452.1927 1.256683
452.6748 1.141060
453.1570 0.7300110
453.6391 0.7007750
454.1212 0.9322280
454.6033 0.7618870
455.0854 0.6122060
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456.0497 2.013947
456.5318 0.9188690
457.0139 7.0343003E-02
457.4960 0.2684250
457.9781 2.4848999E-02
458.4602 0.3552700
458.9424 1.733162
459.4245 2.608467
459.9066 2.239098
460.3887 1.500351
460.8708 1.326599
461.3529 1.828033
461.8351 2.524277
462.3172 3.043137
462.7993 3.398415
463.2814 3.005920
463.7635 0.6215290
464.2456 1.034042
464.7278 0.8171310
465.2099 0.3776860
465.6920 1.298134
466.1741 1.461349
466.6562 1.278717
467.1383 1.461128
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468.1026 2.742836
468.5847 3.342072
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470.0310 2.140732
470.5132 1.441292
470.9953 1.531097
471.4774 2.185341
471.9595 2.938240
472.4416 3.914322
472.9237 4.527031
473.4059 4.430763
473.8880 3.933777
474.3701 3.148361
474.8522 2.069916
475.3343 1.235519
475.8164 1.063622
476.2986 1.392105
476.7807 1.963699
477.2628 2.849724
477.7449 3.427704
478.2270 3.152046
478.7091 2.140358
479.1913 1.014198
479.6734 0.6953660
480.1555 1.959091
480.6376 1.984299
481.1197 1.205002
481.6018 0.4804310
482.0839 7.9994000E-02
482.5660 7.8537002E-02
483.0482 6.3271001E-02
483.5303 0.2501910
484.0124 0.2459340
484.4945 0.4125440
484.9766 1.052414
485.4587 1.289116
485.9409 1.212044
486.4230 1.090218
486.9051 1.071106
487.3872 1.129372
487.8693 1.192406
488.3514 1.253075
488.8336 1.334435
489.3157 1.313576
489.7978 1.406570
490.2799 1.838486
490.7620 2.556274
491.2441 3.281967
491.7263 3.852058
492.2084 4.241066
492.6905 4.255402
493.1726 3.695671
493.6547 3.243996
494.1368 3.180519
494.6190 3.369667
495.1011 3.801720
495.5832 4.530495
496.0653 5.057678
496.5474 4.755379
497.0295 3.940193
497.5117 3.666016
497.9938 4.204956
498.4759 4.774826
498.9580 4.570984
499.4401 3.804474
499.9222 3.616081
500.4044 4.517609
500.8865 5.544365
501.3686 5.885826
501.8507 6.075745
502.3328 7.297737
502.8149 9.997673
503.2971 12.94341
503.7792 14.30468
504.2613 13.56938
504.7434 13.27129
505.2255 13.92173
505.7076 14.37440
506.1898 14.01025
506.6719 13.08855
507.1540 12.09317
507.6361 11.27338
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1284.326 0.2928090
1284.808 0.0000000E+00
