#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:03:48 +0300 (Thu, 26 Apr 2018) $
#$Revision: 643 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000177.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_1000177
loop_
_publ_author_name
'Moore, P. B.'
_publ_section_title
;
 Crystal chemistry of the basic manganese arsenate minerals: II. The
 crystal structure of allactite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              733
_journal_page_last               741
_journal_volume                  53
_journal_year                    1968
_chemical_compound_source        R150120
_chemical_formula_sum            'As2 H8 Mn7 O16'
_chemical_name_mineral           Allactite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.07
_cell_angle_gamma                90
_cell_length_a                   11.03
_cell_length_b                   12.12
_cell_length_c                   5.51
_cell_volume                     672.548
_exptl_crystal_density_diffrn    3.943
_cod_original_formula_sum        'Mn7 As2 (O16 H8)'
_cod_database_code               9000164
_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            R150120.rod
_rod_data_source.block           3500000
_rod_database.code               1000177
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 9000164 COD http://www.crystallography.net/cod/9000164.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
103.1307 0.0000000E+00
103.6128 0.5240480
104.0950 0.1279600
104.5771 7.0404001E-02
105.0592 0.5600280
105.5413 1.502869
106.0234 3.374054
106.5055 6.515839
106.9877 10.69632
107.4698 15.25500
107.9519 20.80084
108.4340 25.76526
108.9161 29.48898
109.3982 32.16077
109.8804 34.19626
110.3625 35.67941
110.8446 36.32626
111.3267 38.85794
111.8088 44.53403
112.2909 50.33322
112.7731 55.41116
113.2552 59.46182
113.7373 62.16052
114.2194 63.17221
114.7015 62.01855
115.1836 59.59421
115.6658 55.21808
116.1479 49.73505
116.6300 43.84460
117.1121 37.86230
117.5942 32.44843
118.0763 28.78299
118.5584 27.10925
119.0406 28.05157
119.5227 29.68842
120.0048 30.69177
120.4869 30.88528
120.9690 30.66669
121.4511 30.13010
121.9333 28.97723
122.4154 27.13425
122.8975 25.31308
123.3796 24.35446
123.8617 24.39395
124.3438 24.06833
124.8260 22.27328
125.3081 19.93381
125.7902 17.76370
126.2723 15.96463
126.7544 14.56067
127.2365 13.66510
127.7187 13.37891
128.2008 13.50699
128.6829 14.45609
129.1650 15.61108
129.6471 16.18521
130.1292 15.68225
130.6114 14.14529
131.0935 12.13907
131.5756 8.881287
132.0577 5.873566
132.5398 3.594421
133.0219 1.903259
133.5041 0.3457030
133.9862 1.568878
134.4683 4.076111
134.9504 5.211273
135.4325 4.541260
135.9146 3.038330
136.3968 1.251770
136.8789 0.7262570
137.3610 3.040863
137.8431 5.751740
138.3252 8.970276
138.8073 12.59464
139.2895 16.19946
139.7716 20.20706
140.2537 25.35275
140.7358 31.92825
141.2179 39.04507
141.7000 45.57727
142.1821 51.56601
142.6643 57.65121
143.1464 64.89102
143.6285 72.64951
144.1106 78.68192
144.5927 82.60266
145.0748 84.14313
145.5570 83.41187
146.0391 80.43378
146.5212 76.08810
147.0033 70.48694
147.4854 63.35860
147.9675 57.34734
148.4497 53.50755
148.9318 50.59123
149.4139 47.87634
149.8960 45.26683
150.3781 43.35732
150.8602 43.10007
151.3424 44.90231
151.8245 47.65063
152.3066 50.97675
152.7887 55.06966
153.2708 60.20245
153.7529 66.44374
154.2351 73.58084
154.7172 81.14175
155.1993 89.84415
155.6814 98.11794
156.1635 105.9286
156.6456 113.3038
157.1278 120.4101
157.6099 127.3718
158.0920 133.8550
158.5741 138.4316
159.0562 141.6461
159.5383 142.8548
160.0205 141.7274
160.5026 138.3901
160.9847 133.2882
161.4668 126.1422
161.9489 117.0328
162.4310 107.1459
162.9131 95.54095
163.3953 84.15353
163.8774 73.98151
164.3595 64.99286
164.8416 57.10585
165.3237 50.54105
165.8058 45.08687
166.2880 40.07962
166.7701 35.52025
167.2522 31.32063
167.7343 27.36914
168.2164 23.64273
168.6985 20.34056
169.1807 17.73154
169.6628 15.59279
170.1449 13.67990
170.6270 11.83003
171.1091 10.21117
171.5912 9.335022
172.0734 9.723099
172.5555 9.881989
173.0376 8.953964
173.5197 7.516296
174.0018 6.372528
174.4839 6.016998
174.9661 6.341965
175.4482 6.732697
175.9303 7.340775
176.4124 7.833832
176.8945 7.999908
177.3766 7.992844
177.8588 8.101166
178.3409 8.553818
178.8230 9.356400
179.3051 10.01346
179.7872 10.42455
180.2693 10.79041
180.7515 11.21011
181.2336 11.63571
181.7157 11.95218
182.1978 12.05237
182.6799 11.91374
183.1620 11.68556
183.6441 11.24434
184.1263 10.83876
184.6084 10.57193
185.0905 10.45683
185.5726 10.48596
186.0547 10.68561
186.5368 11.09308
187.0190 11.39035
187.5011 11.56622
187.9832 11.64330
188.4653 11.60468
188.9474 11.45091
189.4296 11.24562
189.9117 11.01773
190.3938 10.77600
190.8759 10.64665
191.3580 10.81688
191.8401 10.94571
192.3223 10.60516
192.8044 9.776855
193.2865 8.994888
193.7686 8.745438
194.2507 8.942078
194.7328 9.371597
195.2150 10.07845
195.6971 10.88194
196.1792 11.47093
196.6613 11.83023
197.1434 11.88924
197.6255 11.51221
198.1077 10.82091
198.5898 10.09761
199.0719 9.411423
199.5540 8.783798
200.0361 8.310623
200.5182 7.960434
201.0004 7.842117
201.4825 8.188248
201.9646 8.805176
202.4467 9.218765
202.9288 8.972046
203.4109 8.118515
203.8930 7.599091
204.3752 7.693420
204.8573 7.871201
205.3394 8.023087
205.8215 8.106110
206.3036 8.068527
206.7857 7.899689
207.2679 7.609482
207.7500 6.995880
208.2321 5.613022
208.7142 4.295334
209.1963 3.302597
209.6784 2.609970
210.1606 2.065414
210.6427 1.527939
211.1248 0.9836580
211.6069 0.6270290
212.0890 0.5944520
212.5711 0.6025390
213.0533 0.5759280
213.5354 0.4953310
214.0175 0.3466950
214.4996 0.1101530
214.9817 0.2327730
215.4638 0.5426480
215.9460 0.8417360
216.4281 1.100388
216.9102 1.303864
217.3923 1.452896
217.8744 1.579987
218.3565 1.735474
218.8387 1.939285
219.3208 1.853134
219.8029 1.196609
220.2850 0.5155640
220.7671 0.1629330
221.2492 0.1361850
221.7314 0.1960910
222.2135 0.1604000
222.6956 1.4801000E-02
223.1777 0.2031860
223.6598 0.7148740
224.1419 1.139511
224.6240 1.068924
225.1062 0.5114590
225.5883 1.2772000E-02
226.0704 3.0594001E-02
226.5525 0.4082180
227.0346 0.7294160
227.5167 0.8274080
227.9989 0.8433690
228.4810 0.8325040
228.9631 0.7940220
229.4452 0.9258730
229.9273 1.570419
230.4094 2.505203
230.8916 3.104263
231.3737 3.036575
231.8558 2.702271
232.3379 2.569656
232.8200 2.681381
233.3021 2.775391
233.7843 2.583389
234.2664 2.285614
234.7485 2.167496
235.2306 2.367584
235.7127 2.720779
236.1948 2.998138
236.6770 3.174057
237.1591 3.393494
237.6412 3.735245
238.1233 4.160797
238.6054 4.666122
239.0875 5.305588
239.5697 5.943085
240.0518 6.330185
240.5339 6.391922
241.0160 6.437317
241.4981 6.557159
241.9802 6.729660
242.4624 6.938553
242.9445 7.176605
243.4266 7.458527
243.9087 7.822510
244.3908 8.303146
244.8729 8.774902
245.3550 9.254410
245.8372 9.682404
246.3193 9.975479
246.8014 10.09833
247.2835 10.15851
247.7656 10.40091
248.2477 11.03288
248.7299 11.32899
249.2120 10.85417
249.6941 10.22563
250.1762 9.917175
250.6583 10.07050
251.1404 10.51132
251.6226 10.91795
252.1047 11.21663
252.5868 11.63741
253.0689 12.11761
253.5510 12.69580
254.0331 13.53178
254.5153 14.64414
254.9974 15.76939
255.4795 16.44109
255.9616 16.26849
256.4437 16.46835
256.9258 17.02876
257.4080 17.92534
257.8901 19.26630
258.3722 20.98962
258.8543 22.83441
259.3364 24.40872
259.8185 25.67688
260.3007 26.72406
260.7828 27.28534
261.2649 27.87674
261.7470 28.86566
262.2291 30.26630
262.7112 31.78793
263.1934 33.10806
263.6755 34.17159
264.1576 35.21507
264.6397 36.12065
265.1218 37.09921
265.6039 38.26384
266.0861 39.60349
266.5682 41.05722
267.0503 42.58206
267.5324 44.20380
268.0145 45.70993
268.4966 47.18430
268.9788 48.48973
269.4609 49.48688
269.9430 50.24042
270.4251 50.94846
270.9072 51.77911
271.3893 52.73199
271.8715 53.55986
272.3536 54.66724
272.8357 55.27213
273.3178 54.98279
273.7999 53.91051
274.2820 52.36923
274.7642 50.53632
275.2463 48.42805
275.7284 46.22662
276.2105 43.81212
276.6926 41.44107
277.1747 39.18622
277.6568 37.08450
278.1389 35.09999
278.6211 33.15311
279.1032 31.31946
279.5853 30.04988
280.0674 29.61006
280.5495 29.30638
281.0316 28.95274
281.5138 28.62915
281.9959 28.46072
282.4780 28.49142
282.9601 28.68253
283.4422 28.99092
283.9243 29.58463
284.4065 30.05467
284.8886 30.27614
285.3707 30.31110
285.8528 30.24707
286.3349 30.10912
286.8170 29.90140
287.2992 29.61415
287.7813 29.21906
288.2634 28.88602
288.7455 28.68301
289.2276 28.53015
289.7097 28.38249
290.1919 28.23689
290.6740 27.96976
291.1561 27.34537
291.6382 26.28989
292.1203 25.47285
292.6024 25.17963
293.0846 25.03188
293.5667 24.60034
294.0488 23.83458
294.5309 23.10902
295.0130 22.81447
295.4951 22.96025
295.9773 22.94102
296.4594 22.75095
296.9415 22.37801
297.4236 21.66371
297.9057 20.65395
298.3878 19.82603
298.8700 19.64464
299.3521 19.94798
299.8342 19.70027
300.3163 18.63940
300.7984 17.28546
301.2805 15.75330
301.7627 14.12000
302.2448 12.71623
302.7269 11.77757
303.2090 11.14056
303.6911 10.28322
304.1732 9.058563
304.6554 7.870560
305.1375 7.007019
305.6196 6.325699
306.1017 5.423416
306.5838 4.100433
307.0659 2.581436
307.5481 1.310242
308.0302 0.3096310
308.5123 0.6273960
308.9944 1.746719
309.4765 2.809265
309.9586 3.291534
310.4408 2.980621
310.9229 2.416046
311.4050 2.389175
311.8871 2.927261
312.3692 3.190948
312.8513 2.800446
313.3335 2.150497
313.8156 1.785141
314.2977 1.798462
314.7798 1.704407
315.2619 0.9887390
315.7440 0.3206630
316.2262 1.555008
316.7083 2.502747
317.1904 3.468292
317.6725 4.710968
318.1546 6.234329
318.6367 7.868469
319.1188 9.507675
319.6010 11.17331
320.0831 12.95953
320.5652 14.98422
321.0473 17.01785
321.5294 19.10385
322.0115 21.13423
322.4937 22.74271
322.9758 23.70834
323.4579 24.18130
323.9400 24.50673
324.4221 24.62505
324.9042 24.76030
325.3864 25.27989
325.8685 25.83368
326.3506 25.65459
326.8327 24.40660
327.3148 22.71219
327.7969 21.51378
328.2791 20.84865
328.7612 20.29994
329.2433 19.85980
329.7254 19.47003
330.2075 19.06160
330.6896 18.62263
331.1718 18.18858
331.6539 17.79179
332.1360 17.43661
332.6181 17.09700
333.1002 16.92529
333.5823 16.65509
334.0645 15.78610
334.5466 14.46237
335.0287 13.69882
335.5108 14.35439
335.9929 16.20245
336.4750 17.41318
336.9572 17.34166
337.4393 17.39780
337.9214 18.02303
338.4035 19.22316
338.8856 21.03400
339.3677 23.51413
339.8499 26.50302
340.3320 29.58009
340.8141 32.53661
341.2962 35.90919
341.7783 40.05525
342.2604 44.58658
342.7426 48.90784
343.2247 52.83104
343.7068 56.78194
344.1889 61.33517
344.6710 66.67014
345.1531 72.24684
345.6353 78.12236
346.1174 84.16115
346.5995 90.33746
347.0816 96.57033
347.5637 102.7729
348.0458 108.8159
348.5280 114.7220
349.0101 120.3297
349.4922 125.4850
349.9743 130.5471
350.4564 135.8126
350.9385 141.0710
351.4207 145.8470
351.9028 149.8176
352.3849 153.1282
352.8670 156.4123
353.3491 159.8855
353.8312 163.0592
354.3134 165.5330
354.7955 167.8053
355.2776 170.6016
355.7597 174.1494
356.2418 177.8857
356.7239 180.8861
357.2061 182.8720
357.6882 184.5881
358.1703 186.2153
358.6524 187.4714
359.1345 188.2916
359.6166 188.5908
360.0987 188.1778
360.5808 186.9087
361.0630 184.8206
361.5451 181.4111
362.0272 176.4047
362.5093 170.4836
362.9914 163.4646
363.4735 155.6946
363.9557 147.8293
364.4378 140.2418
364.9199 132.8764
365.4020 125.4916
365.8841 117.9986
366.3662 110.5948
366.8484 103.1283
367.3305 95.85071
367.8126 88.98279
368.2947 82.65907
368.7768 76.88016
369.2589 71.63370
369.7411 67.02744
370.2232 62.63387
370.7053 58.41331
371.1874 54.45245
371.6695 50.67091
372.1516 47.12332
372.6338 43.95329
373.1159 41.38513
373.5980 39.42143
374.0801 37.49464
374.5622 35.56943
375.0443 33.72855
375.5265 32.04230
376.0086 30.43929
376.4907 28.80850
376.9728 27.06146
377.4549 25.31113
377.9370 23.81209
378.4192 22.62166
378.9013 21.52519
379.3834 20.56020
379.8655 19.60611
380.3476 18.54872
380.8297 17.36717
381.3119 16.17546
381.7940 15.08360
382.2761 14.08870
382.7582 13.16081
383.2403 12.29083
383.7224 11.50435
384.2046 10.80431
384.6867 10.19064
385.1688 9.639740
385.6509 9.166183
386.1330 8.748871
386.6151 8.308990
387.0973 7.808975
387.5794 7.426163
388.0615 7.357483
388.5436 7.444061
389.0257 7.437576
389.5078 7.175735
389.9900 7.022537
390.4721 7.494705
390.9542 8.481140
391.4363 9.060867
391.9184 8.770920
392.4005 8.138550
392.8827 7.908844
393.3648 8.101456
393.8469 8.316696
394.3290 8.432083
394.8111 8.464676
395.2932 8.491241
395.7754 8.538666
396.2575 8.385559
396.7396 7.716522
397.2217 6.592026
397.7038 5.765121
398.1859 5.508362
398.6681 5.337509
399.1501 4.860596
399.6323 4.177780
400.1144 3.741882
400.5965 3.870880
401.0786 4.244827
401.5607 3.877197
402.0428 2.277573
402.5250 0.9202420
403.0071 7.2998002E-02
403.4892 0.4089360
403.9713 0.6013950
404.4534 0.5427400
404.9355 0.4114380
405.4177 0.4225010
405.8998 0.6220550
406.3819 0.7250820
406.8640 0.6753540
407.3461 0.5942840
407.8282 0.5940550
408.3104 0.6150210
408.7925 0.4884640
409.2746 9.5291004E-02
409.7567 0.4946290
410.2388 0.9541470
410.7209 0.9396970
411.2031 1.254211
411.6852 2.253693
412.1673 3.445801
412.6494 4.306854
413.1315 4.726547
413.6136 5.054672
414.0958 5.760544
414.5779 6.928284
415.0600 8.149979
415.5421 9.307297
416.0242 10.62985
416.5063 12.20767
416.9885 14.03394
417.4706 16.08662
417.9527 18.45172
418.4348 20.95580
418.9169 22.98233
419.3990 24.26991
419.8812 25.63797
420.3633 27.53151
420.8454 29.50459
421.3275 31.20903
421.8096 32.56795
422.2917 33.49171
422.7739 33.77414
423.2560 33.43968
423.7381 33.05949
424.2202 32.88095
424.7023 32.42197
425.1844 31.26489
425.6666 29.53914
426.1487 27.68765
426.6308 25.88441
427.1129 24.06229
427.5950 22.09987
428.0771 19.97255
428.5593 17.88618
429.0414 15.88493
429.5235 14.05505
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