#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:45:21 +0300 (Thu, 26 Apr 2018) $
#$Revision: 562 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000107.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_1000107
loop_
_publ_author_name
'Araki, T.'
'Moore, P. B.'
_publ_section_title
;
 Dixenite, CuMn14Fe(OH)6(AsO3)5(SiO4)2(AsO4): Metallic [As4Cu] clusters in
 an oxide matrix
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1263
_journal_page_last               1273
_journal_volume                  66
_journal_year                    1981
_chemical_compound_source        R100044
_chemical_formula_sum            'As6.3 Cu0.843 Fe H6 Mg0.1 Mn12.9 O33 Si1.7'
_chemical_name_mineral           Dixenite
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.233
_cell_length_b                   8.233
_cell_length_c                   37.499
_cell_volume                     2201.236
_exptl_crystal_density_diffrn    4.242
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'Mn12.9 Mg.1 Fe Cu.843 Si1.7 As6.3 O33 H6'
_cod_database_code               9000836
_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            R100044.rod
_rod_data_source.block           3500000
_rod_database.code               1000107
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 9000836 COD http://www.crystallography.net/cod/9000836.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
169.1904 0.0000000E+00
169.6725 1.2779000E-02
170.1547 7.0076004E-02
170.6368 0.2820740
171.1189 0.5324250
171.6010 0.6656880
172.0831 0.4732360
172.5652 0.1331630
173.0474 5.2574001E-02
173.5295 0.1407320
174.0116 2.9450001E-03
174.4937 0.6193390
174.9758 1.705452
175.4579 2.655785
175.9401 3.114799
176.4222 3.332588
176.9043 3.506165
177.3864 3.590874
177.8685 3.830086
178.3506 4.641396
178.8328 6.220703
179.3149 7.674301
179.7970 8.616806
180.2791 9.341522
180.7612 10.08245
181.2433 10.93674
181.7255 11.81496
182.2076 12.53091
182.6897 13.04544
183.1718 13.44218
183.6539 13.75610
184.1360 13.98154
184.6181 14.21070
185.1003 14.51610
185.5824 14.68667
186.0645 13.93153
186.5466 10.91581
187.0287 8.574242
187.5108 7.618591
187.9930 7.461700
188.4751 7.325974
188.9572 6.765724
189.4393 5.928413
189.9214 5.661743
190.4035 6.534332
190.8857 7.345055
191.3678 7.802376
191.8499 8.051979
192.3320 8.354126
192.8141 8.858070
193.2962 9.552574
193.7784 10.38049
194.2605 11.48388
194.7426 12.53539
195.2247 13.26816
195.7068 13.82977
196.1889 14.70683
196.6711 16.32342
197.1532 18.44155
197.6353 19.86598
198.1174 20.13210
198.5995 20.21584
199.0816 20.53687
199.5638 21.10185
200.0459 21.96544
200.5280 23.37149
201.0101 25.04627
201.4922 26.19172
201.9743 26.58160
202.4565 26.64167
202.9386 26.76543
203.4207 26.96309
203.9028 26.89330
204.3849 26.23843
204.8670 25.22823
205.3492 24.18008
205.8313 23.13182
206.3134 22.09167
206.7955 21.09827
207.2776 20.17686
207.7597 19.19510
208.2419 18.21849
208.7240 17.09930
209.2061 15.61396
209.6882 13.60511
210.1703 11.37580
210.6524 9.410530
211.1346 7.723824
211.6167 6.323227
212.0988 5.201256
212.5809 4.331932
213.0630 3.757973
213.5451 3.535141
214.0273 3.478874
214.5094 3.139420
214.9915 2.246902
215.4736 1.565018
215.9557 1.140739
216.4378 0.9974750
216.9200 1.241264
217.4021 1.933304
217.8842 2.863380
218.3663 3.411118
218.8484 3.111603
219.3305 3.097954
219.8127 3.789658
220.2948 4.695320
220.7769 5.220032
221.2590 5.092522
221.7411 4.615486
222.2232 4.690918
222.7054 6.095322
223.1875 7.150513
223.6696 7.416504
224.1517 7.405678
224.6338 7.798637
225.1159 8.913651
225.5980 10.39423
226.0802 11.21858
226.5623 10.74400
227.0444 10.37832
227.5265 10.29150
228.0086 10.35431
228.4907 10.44090
228.9729 10.51590
229.4550 10.57002
229.9371 10.50572
230.4192 10.11010
230.9013 9.840691
231.3834 9.958321
231.8656 10.26811
232.3477 10.46558
232.8298 10.35529
233.3119 9.968430
233.7940 9.419052
234.2761 8.521301
234.7583 8.050667
235.2404 8.523521
235.7225 9.455696
236.2046 9.953743
236.6867 9.632523
237.1688 9.065376
237.6510 9.377213
238.1331 10.75022
238.6152 11.97030
239.0973 12.58976
239.5794 12.72643
240.0615 12.55652
240.5437 11.96417
241.0258 11.39020
241.5079 11.56451
241.9900 12.55065
242.4721 13.48576
242.9542 13.80934
243.4364 13.70959
243.9185 13.76234
244.4006 14.11434
244.8827 14.72598
245.3648 15.61591
245.8469 16.70264
246.3290 17.58507
246.8112 17.97823
247.2933 18.01511
247.7754 18.02553
248.2575 17.83333
248.7396 17.94872
249.2217 18.97190
249.7039 20.69249
250.1860 22.30479
250.6681 23.42943
251.1502 24.09026
251.6323 24.25695
252.1144 23.48837
252.5966 22.98602
253.0787 23.64114
253.5608 25.10870
254.0429 26.52245
254.5250 27.34633
255.0071 27.73082
255.4893 27.90502
255.9714 27.63140
256.4535 27.54617
256.9356 28.00842
257.4177 28.80298
257.8998 29.59990
258.3820 30.25570
258.8641 30.76262
259.3462 31.08051
259.8283 31.12630
260.3104 31.10326
260.7925 31.10648
261.2747 31.08835
261.7568 30.98637
262.2389 30.76836
262.7210 30.45564
263.2031 30.11575
263.6852 29.79033
264.1674 29.36467
264.6495 28.74742
265.1316 28.06007
265.6137 27.46964
266.0958 27.05849
266.5779 26.69010
267.0601 25.98687
267.5422 24.57261
268.0243 23.52253
268.5064 23.25170
268.9885 23.21365
269.4706 22.92265
269.9528 22.20932
270.4349 21.25936
270.9170 20.39518
271.3991 19.54438
271.8812 18.96036
272.3633 19.05676
272.8455 19.13094
273.3276 18.51134
273.8097 17.09356
274.2918 15.43779
274.7739 14.44386
275.2560 14.60426
275.7382 14.38242
276.2202 13.56454
276.7024 12.60801
277.1845 11.75317
277.6666 11.05412
278.1487 10.47355
278.6308 9.998184
279.1129 9.735229
279.5951 9.191307
280.0772 7.961197
280.5593 6.842834
281.0414 6.318207
281.5235 6.343712
282.0056 6.560242
282.4878 6.664330
282.9699 6.690048
283.4520 6.319809
283.9341 4.938919
284.4162 3.809357
284.8983 3.737541
285.3805 4.399040
285.8626 4.819504
286.3447 4.176491
286.8268 2.501099
287.3089 1.602005
287.7910 2.508446
288.2732 3.027260
288.7553 2.132072
289.2374 0.4116060
289.7195 0.9477620
290.2016 1.207703
290.6837 0.5829770
291.1659 0.2585530
291.6480 0.6480330
292.1301 0.8563230
292.6122 0.5874400
293.0943 8.8219002E-02
293.5764 0.3340000
294.0586 0.5457380
294.5407 0.5323030
295.0228 0.2519610
295.5049 0.7909550
295.9870 1.496086
296.4691 1.718788
296.9513 1.630890
297.4334 1.285294
297.9155 0.7213290
298.3976 0.2148820
298.8797 0.2748790
299.3618 1.593620
299.8440 2.141594
300.3261 1.136070
300.8082 0.1353000
301.2903 0.5650180
301.7724 2.2353999E-02
302.2545 0.9587480
302.7367 1.470116
303.2188 1.417023
303.7009 1.427521
304.1830 1.793488
304.6651 1.986603
305.1472 1.467636
305.6294 0.3562930
306.1115 0.6373210
306.5936 0.8596880
307.0757 0.2525940
307.5578 1.0666000E-02
308.0399 0.4554140
308.5221 0.8771440
309.0042 1.014015
309.4863 0.8786700
309.9684 0.4579010
310.4505 0.3485720
310.9326 1.378708
311.4148 1.427895
311.8969 0.5209200
312.3790 2.118561
312.8611 2.690498
313.3432 2.566597
313.8253 2.251053
314.3075 1.954872
314.7896 1.701836
315.2717 1.555672
315.7538 1.512772
316.2359 1.587234
316.7180 2.005302
317.2001 2.444000
317.6823 2.504219
318.1644 2.078682
318.6465 1.419014
319.1286 0.8743130
319.6107 0.3934330
320.0928 0.2226330
320.5750 0.5077740
321.0571 0.9897610
321.5392 1.580757
322.0213 2.215500
322.5034 2.710388
322.9855 2.845535
323.4677 2.548653
323.9498 2.428139
324.4319 2.658836
324.9140 2.874825
325.3961 2.815857
325.8782 2.567612
326.3604 2.432304
326.8425 2.638550
327.3246 3.148758
327.8067 3.539764
328.2888 3.672668
328.7709 3.864166
329.2531 4.352501
329.7352 4.924759
330.2173 5.192261
330.6994 4.957840
331.1815 4.421135
331.6636 4.120949
332.1458 3.954979
332.6279 4.192009
333.1100 5.331818
333.5921 6.633362
334.0742 7.243011
334.5563 6.955559
335.0385 6.405418
335.5206 6.548325
336.0027 7.856102
336.4848 8.645905
336.9669 8.680405
337.4490 8.454514
337.9312 8.076462
338.4133 7.680656
338.8954 7.612968
339.3775 8.248375
339.8596 9.666245
340.3417 10.84130
340.8239 11.65465
341.3060 12.37857
341.7881 13.11060
342.2702 13.81668
342.7523 14.35704
343.2344 14.60977
343.7166 14.71518
344.1987 15.36005
344.6808 17.00104
345.1629 18.68134
345.6450 20.95441
346.1271 23.00029
346.6093 23.67845
347.0914 22.59335
347.5735 20.59938
348.0556 19.39479
348.5377 19.12979
349.0198 19.64038
349.5020 21.53403
349.9841 23.57237
350.4662 25.03110
350.9483 25.78505
351.4304 25.99982
351.9125 25.71053
352.3947 24.73033
352.8768 24.42436
353.3589 25.49321
353.8410 26.44789
354.3231 26.68542
354.8052 26.44382
355.2874 26.27013
355.7695 26.52509
356.2516 27.16049
356.7337 27.94472
357.2158 29.32436
357.6979 30.06071
358.1800 29.51721
358.6621 28.58597
359.1443 28.27313
359.6264 28.93832
360.1085 29.88498
360.5906 29.81273
361.0727 28.13007
361.5548 27.11092
362.0370 27.44647
362.5191 28.08952
363.0012 28.56561
363.4833 28.80899
363.9654 28.83496
364.4475 28.45813
364.9297 27.59137
365.4118 27.34558
365.8939 28.60243
366.3760 29.58083
366.8581 29.16055
367.3402 27.93915
367.8224 27.22075
368.3045 27.92841
368.7866 29.46077
369.2687 30.09081
369.7508 29.47096
370.2329 28.98763
370.7151 29.19232
371.1972 29.70137
371.6793 30.22354
372.1614 30.69383
372.6435 30.99278
373.1256 30.85989
373.6078 30.25246
374.0899 29.81055
374.5720 29.28368
375.0541 29.37135
375.5362 31.06795
376.0183 34.16130
376.5005 36.69624
376.9826 36.89066
377.4647 35.42209
377.9468 34.89682
378.4289 35.79424
378.9110 36.94426
379.3932 37.52364
379.8753 37.78458
380.3574 38.19942
380.8395 38.92366
381.3216 39.85851
381.8037 40.90240
382.2859 42.05853
382.7680 43.30722
383.2501 44.82167
383.7322 46.28900
384.2143 47.21725
384.6964 47.44960
385.1786 47.64917
385.6607 48.29486
386.1428 49.19473
386.6249 49.83144
387.1070 50.05725
387.5891 50.07062
388.0713 50.02884
388.5534 49.94806
389.0355 49.97537
389.5176 50.29742
389.9997 50.64299
390.4818 50.74699
390.9640 50.58971
391.4461 50.26224
391.9282 49.81285
392.4103 49.26520
392.8924 48.70966
393.3745 48.14256
393.8567 47.57005
394.3388 46.93102
394.8209 46.27994
395.3030 45.75571
395.7851 45.42607
396.2672 45.20178
396.7494 44.93935
397.2315 44.77705
397.7136 44.17091
398.1957 42.83427
398.6778 41.16399
399.1599 39.30499
399.6420 37.37605
400.1241 35.71895
400.6063 34.67979
401.0884 34.27881
401.5705 33.71123
402.0526 33.10344
402.5347 32.22424
403.0168 30.65234
403.4990 28.83289
403.9811 27.61432
404.4632 27.42140
404.9453 27.67703
405.4274 26.92149
405.9095 24.20743
406.3917 22.07532
406.8738 20.89055
407.3559 20.04698
407.8380 19.10391
408.3201 18.01787
408.8022 17.03833
409.2844 16.48749
409.7665 16.41914
410.2486 15.90547
410.7307 14.36053
411.2128 12.99214
411.6949 12.31775
412.1771 12.01984
412.6592 11.52451
413.1413 10.50444
413.6234 9.284927
414.1055 8.622818
414.5876 8.729843
415.0698 8.743546
415.5519 8.530899
416.0340 8.105591
416.5161 7.251022
416.9982 6.004120
417.4803 5.053177
417.9625 5.212677
418.4446 6.289429
418.9267 6.943527
419.4088 6.984787
419.8909 6.763702
420.3730 6.310806
420.8552 5.786392
421.3373 5.538696
421.8194 5.726990
422.3015 6.194382
422.7836 6.969086
423.2657 8.038925
423.7479 8.556061
424.2300 7.819275
424.7121 6.669281
425.1942 6.477798
425.6763 7.417938
426.1584 8.380310
426.6406 8.875702
427.1227 9.091690
427.6048 9.420120
428.0869 9.954315
428.5690 10.22899
429.0511 9.603271
429.5333 8.109528
430.0154 7.525467
430.4975 8.648621
430.9796 9.937363
431.4617 10.52104
431.9438 10.57393
432.4260 10.67632
432.9081 11.13521
433.3902 11.65392
433.8723 11.49065
434.3544 9.785263
434.8365 8.829422
435.3187 9.388992
435.8008 10.26483
436.2829 10.42885
436.7650 9.805893
437.2471 8.997681
437.7292 8.573776
438.2114 8.546707
438.6935 8.340775
439.1756 8.173981
439.6577 7.575531
440.1398 5.830414
440.6219 3.783127
441.1040 2.706879
441.5862 3.135895
442.0683 4.224731
442.5504 4.384338
443.0325 3.251984
443.5146 2.306580
443.9967 1.845306
444.4789 1.460388
444.9610 0.9560090
445.4431 0.3412930
445.9252 0.2872920
446.4073 0.8768460
446.8894 1.418030
447.3716 1.906479
447.8537 2.422546
448.3358 2.682709
448.8179 2.240433
449.3000 1.618088
449.7821 1.428696
450.2643 1.868881
450.7464 2.409882
451.2285 2.621979
451.7106 2.547424
452.1927 2.323822
452.6748 1.856094
453.1570 1.498779
453.6391 1.767487
454.1212 2.518372
454.6033 3.111435
455.0854 3.575912
455.5675 3.688553
456.0497 3.072342
456.5318 1.836212
457.0139 0.6020510
457.4960 0.3465270
457.9781 1.053925
458.4602 1.619888
458.9424 2.026947
459.4245 2.364639
459.9066 2.661331
460.3887 2.887604
460.8708 2.922211
461.3529 2.791809
461.8351 2.753159
462.3172 3.027908
462.7993 3.614227
463.2814 4.574463
463.7635 6.489441
464.2456 8.085541
464.7278 8.825073
465.2099 9.134735
465.6920 9.597870
466.1741 10.44383
466.6562 11.50728
467.1383 12.51273
467.6205 13.43205
468.1026 14.40329
468.5847 15.49815
469.0668 16.58704
469.5489 17.63039
470.0310 18.61903
470.5132 19.50375
470.9953 20.15033
471.4774 20.77420
471.9595 22.04871
472.4416 24.20544
472.9237 26.14403
473.4059 27.25388
473.8880 28.09172
474.3701 29.14755
474.8522 30.47392
475.3343 31.85715
475.8164 32.92435
476.2986 33.96155
476.7807 35.84685
477.2628 38.81273
477.7449 41.85622
478.2270 44.25914
478.7091 46.10327
479.1913 47.81230
479.6734 49.22104
480.1555 50.70041
480.6376 52.41885
481.1197 54.34753
481.6018 56.37640
482.0839 58.45502
482.5660 60.80641
483.0482 63.82346
483.5303 67.78368
484.0124 71.38652
484.4945 74.17448
484.9766 77.04745
485.4587 80.81360
485.9409 85.07132
486.4230 88.65039
486.9051 90.83932
487.3872 92.35866
487.8693 95.38640
488.3514 101.2834
488.8336 106.1741
489.3157 108.8425
489.7978 111.3081
490.2799 115.1249
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