#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:41:46 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1235 $
#$URL: svn://172.16.1.111/rod/cif/1/00/06/1000647.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_1000647
loop_
_publ_author_name
'Cooper, M. A.'
'Hawthorne, F. C.'
_publ_section_title
;
 The effect of differences in coordination on ordering of polyvalent
 cations in close-packed structures: The crystal structure of arakiite and
 comparison with hematolite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1471
_journal_page_last               1482
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        R070172
_chemical_formula_sum
'Al0.74 As3 Fe1.26 H23 Mg4.23 Mn8.06 O34 Zn0.71'
_chemical_name_mineral           Arakiite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.52
_cell_angle_gamma                90
_cell_length_a                   14.236
_cell_length_b                   8.206
_cell_length_c                   24.225
_cell_volume                     2824.640
_exptl_crystal_density_diffrn    3.467
_cod_original_cell_volume        2824.641
_cod_original_formula_sum
'Zn.71 Mn8.06 Fe1.26 Mg4.23 Al.74 As3 O34 H23'
_cod_database_code               9004545
_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            R070172.rod
_rod_data_source.block           3500000
_rod_database.code               1000647
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 9004545 COD http://www.crystallography.net/cod/9004545.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
171.5908 0.0000000E+00
172.0729 0.1734090
172.5550 9.0220002E-03
173.0371 0.1087680
173.5193 0.4862750
174.0014 0.4460180
174.4835 3.5831001E-02
174.9656 0.1411710
175.4477 0.1722950
175.9298 0.6381950
176.4120 0.9620780
176.8941 1.020432
177.3762 0.9076920
177.8583 0.8788410
178.3404 0.9178240
178.8225 1.082344
179.3047 1.519081
179.7868 2.031925
180.2689 2.381332
180.7510 2.436401
181.2331 2.277168
181.7152 2.261982
182.1974 2.632656
182.6795 2.872894
183.1616 2.785583
183.6437 2.518673
184.1258 2.340351
184.6079 2.414951
185.0900 2.691441
185.5722 2.837887
186.0543 2.743744
186.5364 2.667446
187.0185 2.776352
187.5006 2.998447
187.9827 3.092587
188.4649 2.868664
188.9470 2.406902
189.4291 2.114746
189.9112 2.021408
190.3933 2.055870
190.8754 2.230759
191.3576 2.535343
191.8397 2.814911
192.3218 2.968407
192.8039 3.030807
193.2860 3.093430
193.7681 3.165203
194.2503 3.240318
194.7324 3.321026
195.2145 3.412273
195.6966 3.478825
196.1787 3.463615
196.6608 3.420620
197.1430 3.407276
197.6251 3.422543
198.1072 3.493137
198.5893 3.698601
199.0714 4.119843
199.5535 4.463898
200.0357 4.505535
200.5178 4.439354
200.9999 4.518875
201.4820 4.916302
201.9641 5.458939
202.4462 5.632206
202.9284 5.167084
203.4105 4.768055
203.8926 4.698750
204.3747 4.784595
204.8568 4.815022
205.3389 4.677010
205.8211 4.394905
206.3032 4.075901
206.7853 3.628464
207.2674 3.257420
207.7495 2.988068
208.2316 2.817650
208.7138 2.767555
209.1959 2.867672
209.6780 3.076366
210.1601 3.082027
210.6422 2.539753
211.1243 2.149429
211.6065 2.157433
212.0886 2.386677
212.5707 2.529900
213.0528 2.382397
213.5349 1.983879
214.0170 1.723316
214.4992 1.582752
214.9813 1.580654
215.4634 1.871677
215.9455 2.310875
216.4276 2.587929
216.9097 2.477089
217.3919 2.038654
217.8740 1.851933
218.3561 2.084564
218.8382 2.332561
219.3203 2.408970
219.8024 2.370308
220.2845 2.401779
220.7667 2.636280
221.2488 3.027546
221.7309 3.301460
222.2130 3.283730
222.6951 3.328220
223.1772 3.692696
223.6594 4.308674
224.1415 4.850929
224.6236 5.145317
225.1057 5.213493
225.5878 5.204800
226.0699 4.979996
226.5521 4.834194
227.0342 5.056210
227.5163 5.614307
227.9984 6.086498
228.4805 6.268845
228.9626 6.248844
229.4448 6.214893
229.9269 6.185787
230.4090 6.181213
230.8911 6.262974
231.3732 6.425934
231.8553 6.608246
232.3375 6.862904
232.8196 7.048454
233.3017 7.014141
233.7838 6.688736
234.2659 6.256889
234.7480 5.930191
235.2302 5.685932
235.7123 5.465492
236.1944 5.281475
236.6765 5.112320
237.1586 4.956757
237.6407 4.824993
238.1229 4.629967
238.6050 4.175652
239.0871 3.366047
239.5692 2.808754
240.0513 2.912445
240.5334 3.212193
241.0156 3.391766
241.4977 3.354256
241.9798 3.240932
242.4619 3.279087
242.9440 3.553074
243.4261 3.764202
243.9083 3.718281
244.3904 3.622665
244.8725 3.641254
245.3546 3.813583
245.8367 4.049217
246.3188 4.254269
246.8010 4.479893
247.2831 4.544079
247.7652 4.206078
248.2473 3.855995
248.7294 3.760487
249.2115 3.944298
249.6937 4.222115
250.1758 4.337143
250.6579 4.201653
251.1400 4.141956
251.6221 4.223896
252.1042 4.322441
252.5864 4.347923
253.0685 4.302341
253.5506 4.268944
254.0327 4.377407
254.5148 4.729664
254.9969 4.885109
255.4790 4.673058
255.9612 4.437771
256.4433 4.332916
256.9254 4.378738
257.4075 4.536697
257.8896 4.796112
258.3718 5.240517
258.8539 5.393810
259.3360 5.049549
259.8181 4.660480
260.3002 4.456062
260.7823 4.432228
261.2645 4.452793
261.7466 4.390305
262.2287 4.230202
262.7108 4.093796
263.1929 3.935299
263.6750 3.835262
264.1572 3.880756
264.6393 4.032078
265.1214 4.156872
265.6035 4.148670
266.0856 4.003143
266.5677 3.837589
267.0499 3.593040
267.5320 3.388321
268.0141 3.315689
268.4962 3.332630
268.9783 3.308472
269.4604 3.146366
269.9426 2.860500
270.4247 2.642654
270.9068 2.468315
271.3889 2.367405
271.8710 2.383636
272.3531 2.484398
272.8352 2.597878
273.3174 2.688633
273.7995 2.755821
274.2816 2.792938
274.7637 2.850601
275.2458 2.831776
275.7279 2.670746
276.2101 2.412537
276.6922 2.133156
277.1743 1.848831
277.6564 1.597679
278.1385 1.514816
278.6206 1.702801
279.1028 1.830551
279.5849 1.788898
280.0670 1.628288
280.5491 1.426140
281.0312 1.202049
281.5133 0.9707220
281.9955 0.7378920
282.4776 0.4520030
282.9597 0.1721420
283.4418 0.3339080
283.9239 0.4127920
284.4060 0.4132420
284.8882 0.1008530
285.3703 0.1918410
285.8524 0.1208080
286.3345 4.2824000E-02
286.8166 0.1897280
287.2987 7.8631997E-02
287.7809 6.4110003E-02
288.2630 4.2376999E-02
288.7451 9.5531002E-02
289.2272 1.4328000E-02
289.7093 7.4211001E-02
290.1914 2.8416000E-02
290.6736 4.0633999E-02
291.1557 8.9103997E-02
291.6378 3.2889999E-02
292.1199 0.3098300
292.6020 0.1283110
293.0841 3.0251000E-02
293.5663 5.6968998E-02
294.0484 0.1861380
294.5305 0.2892950
295.0126 0.3545910
295.4947 0.3887750
295.9768 0.3718450
296.4590 0.3074070
296.9411 0.2905810
297.4232 0.4419210
297.9053 0.6690100
298.3874 0.6941450
298.8695 0.2987900
299.3517 6.5632001E-02
299.8338 3.7482999E-02
300.3159 0.5285990
300.7980 0.8468780
301.2801 0.6698490
301.7622 0.2064700
302.2444 0.1007650
302.7265 0.2414250
303.2086 0.2626570
303.6907 0.1112330
304.1728 0.1563870
304.6549 0.3328290
305.1371 0.3441660
305.6192 0.2428820
306.1013 8.7302998E-02
306.5834 0.1346970
307.0655 0.3102340
307.5476 0.3639450
308.0298 0.3377490
308.5119 0.3358920
308.9940 0.3931470
309.4761 0.4441150
309.9582 0.4068980
310.4403 0.2937620
310.9225 0.1626700
311.4046 7.4955001E-02
311.8867 0.2850910
312.3688 0.1979900
312.8509 0.2634890
313.3330 0.7480890
313.8152 0.9402120
314.2973 0.9064940
314.7794 0.8374400
315.2615 0.7624660
315.7436 0.6737590
316.2257 0.5454980
316.7079 0.3747290
317.1900 0.2342680
317.6721 0.1670990
318.1542 0.1671260
318.6363 0.2090490
319.1184 0.3085820
319.6006 0.4285130
320.0827 0.5488360
320.5648 0.6683350
321.0469 0.7793500
321.5290 0.8868520
322.0111 0.9754750
322.4933 1.028015
322.9754 1.047245
323.4575 1.025513
323.9396 0.8445930
324.4217 0.6043050
324.9038 0.6773380
325.3860 1.301689
325.8681 2.020084
326.3502 2.128414
326.8323 1.633648
327.3144 1.242905
327.7965 1.356709
328.2787 1.694347
328.7608 1.728531
329.2429 1.325180
329.7250 0.8866000
330.2071 0.8667410
330.6892 1.189388
331.1714 1.426205
331.6535 1.408989
332.1356 1.323444
332.6177 1.368484
333.0998 1.554226
333.5819 1.763275
334.0641 1.894150
334.5462 1.990669
335.0283 2.213345
335.5104 2.703094
335.9925 3.186047
336.4746 3.481014
336.9568 3.612621
337.4389 3.682495
337.9210 3.729832
338.4031 3.749035
338.8852 3.715839
339.3673 3.577930
339.8495 3.513844
340.3316 3.594856
340.8137 3.793655
341.2958 4.112843
341.7779 4.578552
342.2600 5.044350
342.7421 5.243191
343.2242 5.149208
343.7064 5.165497
344.1885 5.616402
344.6706 6.097729
345.1527 5.971924
345.6348 5.179474
346.1169 4.459370
346.5991 4.569672
347.0812 5.558990
347.5633 6.228092
348.0454 6.381733
348.5275 6.394371
349.0096 6.478550
349.4918 6.646301
349.9739 6.815113
350.4560 6.985294
350.9381 7.146671
351.4202 7.269543
351.9023 7.324455
352.3845 7.368225
352.8666 7.392250
353.3487 7.425076
353.8308 7.544815
354.3129 7.796059
354.7950 8.074539
355.2772 8.162308
355.7593 7.959457
356.2414 7.782181
356.7235 7.690742
357.2056 7.655830
357.6877 7.610100
358.1699 7.526245
358.6520 7.468704
359.1341 7.535294
359.6162 7.770737
360.0983 8.006569
360.5804 8.334293
361.0626 8.557278
361.5447 8.452713
362.0268 8.112457
362.5089 7.889626
362.9910 8.058289
363.4731 8.568619
363.9553 8.889969
364.4374 8.821854
364.9195 8.813377
365.4016 8.993988
365.8837 9.275715
366.3658 9.570667
366.8480 9.842384
367.3301 10.02988
367.8122 9.982727
368.2943 9.349644
368.7764 9.034618
369.2585 9.225353
369.7407 9.561821
370.2228 9.813374
370.7049 9.946411
371.1870 10.03386
371.6691 10.17819
372.1512 10.39808
372.6334 10.55524
373.1155 10.51575
373.5976 10.54808
374.0797 10.84332
374.5618 11.28643
375.0439 11.61295
375.5261 11.62785
376.0082 11.41867
376.4903 11.43581
376.9724 11.82448
377.4545 12.25230
377.9366 12.76168
378.4188 13.23517
378.9009 13.53442
379.3830 13.61608
379.8651 13.59167
380.3472 13.62277
380.8293 13.70608
381.3115 13.85896
381.7936 14.17429
382.2757 14.48511
382.7578 14.72521
383.2399 14.88182
383.7220 14.95508
384.2042 14.91101
384.6863 14.76186
385.1684 14.71147
385.6505 14.92631
386.1326 14.99364
386.6147 14.61237
387.0969 14.02142
387.5790 13.62234
388.0611 13.64227
388.5432 13.85726
389.0253 13.83137
389.5074 13.52418
389.9896 13.16682
390.4717 12.77698
390.9538 12.40219
391.4359 12.08059
391.9180 11.82003
392.4001 11.61910
392.8823 11.49610
393.3644 11.43986
393.8465 11.38151
394.3286 11.34414
394.8107 11.23289
395.2928 10.91465
395.7750 10.45261
396.2571 10.07294
396.7392 9.882046
397.2213 9.800827
397.7034 9.748554
398.1855 9.736965
398.6677 9.670525
399.1498 9.489063
399.6319 9.198250
400.1140 8.826248
400.5961 8.302948
401.0782 7.841530
401.5604 7.610439
402.0425 7.539696
402.5246 7.425896
403.0067 7.208603
403.4888 6.918186
403.9709 6.592949
404.4531 6.227787
404.9352 5.868320
405.4173 5.457985
405.8994 5.095112
406.3815 4.935234
406.8636 4.968594
407.3458 4.976017
407.8279 4.779907
408.3100 4.389915
408.7921 4.019360
409.2742 3.554279
409.7563 3.229511
410.2385 3.239033
410.7206 3.433411
411.2027 3.546856
411.6848 3.466412
412.1669 3.267082
412.6490 3.098751
413.1311 2.957462
413.6133 2.862675
414.0954 2.929932
414.5775 2.958668
415.0596 2.722515
415.5417 2.256851
416.0238 1.845959
416.5060 1.780552
416.9881 2.074215
417.4702 2.185097
417.9523 1.798218
418.4344 1.566536
418.9165 1.794529
419.3987 2.230450
419.8808 2.501991
420.3629 2.435493
420.8450 2.171814
421.3271 2.008495
421.8092 2.000530
422.2914 1.955608
422.7735 1.768784
423.2556 1.604187
423.7377 1.601097
424.2198 1.744534
424.7019 1.874603
425.1841 1.772667
425.6662 1.483509
426.1483 1.541840
426.6304 2.220051
427.1125 2.801910
427.5946 2.898605
428.0768 2.721443
428.5589 2.581249
429.0410 2.606129
429.5231 2.662724
430.0052 2.541782
430.4873 2.237461
430.9695 2.029007
431.4516 2.019127
431.9337 2.128151
432.4158 2.254734
432.8979 2.398640
433.3800 2.581284
433.8622 2.912724
434.3443 3.261124
434.8264 3.359859
435.3085 3.161381
435.7906 2.895058
436.2727 2.693687
436.7549 2.565033
437.2370 2.514645
437.7191 2.730179
438.2012 2.831993
438.6833 2.417728
439.1654 1.731705
439.6476 1.450981
440.1297 1.883423
440.6118 2.576645
441.0939 2.739613
441.5760 2.130772
442.0581 1.641144
442.5403 1.364128
443.0224 1.181263
443.5045 1.058014
443.9866 0.9580080
444.4687 0.7689400
444.9508 0.3740840
445.4330 0.1861650
445.9151 0.4727130
446.3972 0.2444150
446.8793 2.1111000E-02
447.3614 0.1772160
447.8435 0.3066330
448.3257 0.2949830
448.8078 0.1301040
449.2899 8.7765001E-02
449.7720 0.1988180
450.2541 0.1468580
450.7362 0.1829220
451.2184 0.4404300
451.7005 0.6625100
452.1826 0.6808780
452.6647 0.5787540
453.1468 0.5869260
453.6289 0.9021070
454.1111 1.350220
454.5932 1.406891
455.0753 0.9185030
455.5574 0.5033760
456.0395 0.4787250
456.5216 0.5478900
457.0038 0.4587400
457.4859 0.1740610
457.9680 0.1046560
458.4501 0.2204630
458.9322 0.2043420
459.4143 0.1444090
459.8965 1.1833000E-02
460.3786 5.6258999E-02
460.8607 8.4881000E-02
461.3428 0.3777920
461.8249 0.6883740
462.3070 0.9948430
462.7892 1.310543
463.2713 1.711349
463.7534 2.145489
464.2355 2.385315
464.7176 2.308311
465.1997 2.096283
465.6819 2.077332
466.1640 2.322121
466.6461 2.476341
467.1282 2.362682
467.6103 2.242783
468.0924 2.348103
468.5746 2.670357
469.0567 3.069912
469.5388 3.462826
470.0209 3.831520
470.5030 4.057728
470.9851 3.785660
471.4673 3.809109
471.9494 4.548847
472.4315 5.450592
472.9136 5.908798
473.3957 5.800323
473.8778 5.510838
474.3600 5.511982
474.8421 5.848759
475.3242 6.142788
475.8063 6.389587
476.2884 6.594173
476.7705 6.696079
477.2527 6.770645
477.7348 6.950016
478.2169 7.308418
478.6990 7.746780
479.1811 8.098743
479.6632 8.355541
480.1454 8.600201
480.6275 8.758797
481.1096 9.009956
481.5917 9.565472
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