#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:01:07 +0300 (Thu, 24 May 2018) $
#$Revision: 871 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000355.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_1000355
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 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            R150120.rod
_rod_data_source.block           3500000
_rod_database.code               1000355
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
89.78320 0.0000000E+00
90.26532 1.8509001E-02
90.74744 1.421677
91.22955 5.541245
91.71167 10.45244
92.19379 14.83406
92.67590 18.44470
93.15802 20.08180
93.64014 18.14270
94.12225 14.33702
94.60437 13.01396
95.08649 12.90431
95.56860 13.25249
96.05072 12.07516
96.53284 9.870026
97.01495 6.830399
97.49707 4.017014
97.97919 1.881516
98.46130 0.3957980
98.94342 0.5191650
99.42554 0.8806920
99.90765 0.3937840
100.3898 1.268188
100.8719 3.100754
101.3540 3.509384
101.8361 2.156372
102.3182 0.7756200
102.8004 0.1569520
103.2825 0.8080600
103.7646 0.3736570
104.2467 1.364288
104.7288 4.015259
105.2109 6.548843
105.6931 8.138123
106.1752 10.76891
106.6573 15.46397
107.1394 23.84978
107.6215 31.45090
108.1036 38.82513
108.5858 45.63968
109.0679 49.73305
109.5500 48.33951
110.0321 46.34224
110.5142 46.33966
110.9963 49.63081
111.4785 53.39052
111.9606 57.87820
112.4427 63.02832
112.9248 66.85573
113.4069 68.99774
113.8890 69.82266
114.3712 69.64172
114.8533 67.70557
115.3354 65.53699
115.8175 63.76311
116.2996 62.45409
116.7817 60.67171
117.2639 57.33377
117.7460 53.49806
118.2281 50.50713
118.7102 49.48587
119.1923 48.99414
119.6744 48.18086
120.1566 46.88223
120.6387 45.56767
121.1208 44.33875
121.6029 43.29625
122.0850 42.66869
122.5671 42.23048
123.0493 42.40144
123.5314 44.07529
124.0135 48.20779
124.4956 51.81784
124.9777 51.26845
125.4598 47.43549
125.9420 43.63452
126.4241 41.85352
126.9062 41.59102
127.3883 42.03310
127.8704 43.25896
128.3525 44.78267
128.8347 46.17461
129.3168 47.40184
129.7989 47.87012
130.2810 46.68686
130.7631 44.22119
131.2452 41.95862
131.7274 40.41777
132.2095 39.25854
132.6916 37.35258
133.1737 34.55356
133.6558 31.94164
134.1379 30.56679
134.6201 30.41681
135.1022 30.64490
135.5843 30.98630
136.0664 31.48300
136.5485 32.46687
137.0306 33.97351
137.5128 35.90489
137.9949 37.95270
138.4770 39.90712
138.9591 43.11707
139.4412 48.48726
139.9233 56.19266
140.4055 62.92590
140.8876 68.37428
141.3697 73.18457
141.8518 78.56830
142.3339 84.94174
142.8160 90.90804
143.2982 96.21797
143.7803 101.3240
144.2624 104.1515
144.7445 104.4565
145.2266 102.5323
145.7087 98.96120
146.1909 92.48561
146.6730 85.87839
147.1551 80.16479
147.6372 75.86618
148.1193 71.80507
148.6014 67.60654
149.0836 63.59773
149.5657 60.75214
150.0478 59.36510
150.5299 58.96191
151.0120 59.35364
151.4941 60.39407
151.9763 62.38019
152.4584 65.72696
152.9405 70.18913
153.4226 74.54271
153.9047 78.26741
154.3868 82.13495
154.8690 86.56076
155.3511 92.43468
155.8332 97.95839
156.3153 102.9204
156.7974 107.2764
157.2795 110.9899
157.7617 114.5936
158.2438 117.3845
158.7259 118.8073
159.2080 119.0052
159.6901 117.5652
160.1722 114.1400
160.6544 108.7594
161.1365 102.2051
161.6186 93.63583
162.1007 84.65149
162.5828 76.49786
163.0649 69.95779
163.5471 64.11951
164.0292 58.64246
164.5113 53.50810
164.9934 48.66188
165.4755 43.93376
165.9576 39.49025
166.4398 35.60210
166.9219 32.44995
167.4040 29.76434
167.8861 27.44443
168.3682 25.47609
168.8503 23.78242
169.3325 22.24522
169.8146 20.94566
170.2967 20.04042
170.7788 19.90154
171.2609 19.99472
171.7430 19.88553
172.2252 19.56981
172.7073 19.06107
173.1894 18.07747
173.6715 16.86617
174.1536 16.03149
174.6357 16.13277
175.1179 16.64915
175.6000 16.93874
176.0821 16.90636
176.5642 16.82711
177.0463 16.97249
177.5284 17.28493
178.0106 17.60608
178.4927 17.99783
178.9748 18.33962
179.4569 18.39368
179.9390 18.08545
180.4211 17.59893
180.9033 17.09423
181.3854 16.61403
181.8675 16.27927
182.3496 16.25183
182.8317 16.41232
183.3138 16.43245
183.7960 16.23105
184.2781 16.02010
184.7602 16.20213
185.2423 16.72696
185.7244 17.15756
186.2065 17.10022
186.6887 16.70322
187.1708 16.59052
187.6529 16.93204
188.1350 17.36034
188.6171 17.11652
189.0992 16.21645
189.5814 15.38904
190.0635 15.22896
190.5456 15.61961
191.0277 15.74810
191.5098 15.44950
191.9919 14.96491
192.4741 14.83245
192.9562 15.06800
193.4383 15.32216
193.9204 15.32723
194.4025 15.10036
194.8846 14.96068
195.3668 14.98521
195.8489 15.07144
196.3310 15.01091
196.8131 14.81085
197.2952 14.40815
197.7773 13.65091
198.2595 12.52870
198.7416 11.56031
199.2237 10.82790
199.7058 10.28107
200.1879 9.793365
200.6700 9.352982
201.1522 9.006546
201.6343 8.769157
202.1164 8.636078
202.5985 8.726990
203.0806 9.212448
203.5627 9.847466
204.0449 9.756958
204.5270 8.782219
205.0091 7.600594
205.4912 6.600586
205.9733 5.761116
206.4554 5.279160
206.9376 5.348495
207.4197 5.743973
207.9018 5.531136
208.3839 4.513695
208.8660 3.385696
209.3481 2.660774
209.8303 2.436615
210.3124 2.153297
210.7945 1.707649
211.2766 1.168266
211.7587 0.8241120
212.2408 0.7589950
212.7230 0.7125400
213.2051 0.4396060
213.6872 0.2284620
214.1693 0.5035100
214.6514 0.1218190
215.1335 0.7140120
215.6157 0.9979170
216.0978 0.5011520
216.5799 0.1289750
217.0620 0.4881290
217.5441 0.5267640
218.0262 0.4185710
218.5084 7.7514999E-02
218.9905 0.4062650
219.4726 0.5448300
219.9547 0.2087020
220.4368 0.2434920
220.9189 0.5893170
221.4011 0.8107680
221.8832 0.9705510
222.3653 1.058746
222.8474 1.086868
223.3295 1.111595
223.8116 1.136063
224.2938 1.151421
224.7759 1.148949
225.2580 1.116058
225.7401 1.104820
226.2222 1.151108
226.7043 1.223862
227.1865 1.182594
227.6686 0.9967580
228.1507 0.7482830
228.6328 0.4494860
229.1149 3.3562001E-02
229.5970 0.2313460
230.0792 2.4513001E-02
230.5613 0.5860520
231.0434 0.8511510
231.5255 0.6650310
232.0076 0.4051740
232.4897 0.2871320
232.9719 0.4230420
233.4540 0.4449390
233.9361 0.3323290
234.4182 9.3239002E-02
234.9003 0.2878950
235.3824 1.041557
235.8646 1.609100
236.3467 1.621346
236.8288 0.5536190
237.3109 0.1299130
237.7930 0.6795270
238.2751 1.854828
238.7573 2.556259
239.2394 2.487198
239.7215 2.367256
240.2036 2.528847
240.6857 3.116379
241.1678 3.662003
241.6500 4.189644
242.1321 4.663811
242.6142 4.979965
243.0963 4.985924
243.5784 5.055969
244.0605 5.381454
244.5427 6.154449
245.0248 6.683891
245.5069 6.851990
245.9890 6.826912
246.4711 6.994423
246.9532 7.527298
247.4354 7.975052
247.9175 8.122818
248.3996 7.823868
248.8817 7.715820
249.3638 7.838814
249.8459 8.132645
250.3281 8.486588
250.8102 8.895218
251.2923 9.414780
251.7744 10.06616
252.2565 10.86913
252.7386 11.61171
253.2208 12.22298
253.7029 12.84167
254.1850 13.72562
254.6671 15.03559
255.1492 16.26693
255.6313 17.21245
256.1135 17.79298
256.5956 18.55296
257.0777 19.47351
257.5598 20.55770
258.0419 21.84824
258.5240 23.46404
259.0062 25.07233
259.4883 26.61351
259.9704 28.06088
260.4525 29.37357
260.9346 30.46085
261.4167 31.50826
261.8989 32.70027
262.3810 33.99142
262.8631 35.51433
263.3452 37.32141
263.8273 39.44153
264.3094 41.58484
264.7916 43.82408
265.2737 46.05251
265.7558 48.13931
266.2379 49.94052
266.7200 52.01869
267.2021 54.60529
267.6843 57.62901
268.1664 60.40645
268.6485 62.82869
269.1306 65.20357
269.6127 67.90594
270.0948 71.14494
270.5770 73.75436
271.0591 75.48544
271.5412 76.38501
272.0233 76.80467
272.5054 76.72112
272.9875 76.33360
273.4697 75.83327
273.9518 75.27646
274.4339 74.03865
274.9160 72.04581
275.3981 69.36772
275.8802 65.87871
276.3624 61.41104
276.8445 57.05699
277.3266 53.47116
277.8087 50.66429
278.2908 48.25122
278.7729 46.26184
279.2551 44.60181
279.7372 43.04982
280.2193 41.57845
280.7014 40.42256
281.1835 39.76804
281.6656 39.60892
282.1478 39.42326
282.6299 39.04126
283.1120 38.93217
283.5941 40.41977
284.0762 43.62976
284.5583 45.91161
285.0405 45.54466
285.5226 42.87549
286.0047 41.03256
286.4868 40.11447
286.9689 39.77853
287.4510 39.66010
287.9332 39.72264
288.4153 39.72813
288.8974 39.61566
289.3795 39.42168
289.8616 39.10732
290.3438 38.63348
290.8259 38.22087
291.3080 38.07680
291.7901 38.21385
292.2722 38.75563
292.7543 40.28323
293.2365 41.99596
293.7186 41.64523
294.2007 39.19217
294.6828 36.30481
295.1649 34.51024
295.6470 33.57484
296.1292 32.52396
296.6113 30.96295
297.0934 29.28502
297.5755 28.28700
298.0576 27.89374
298.5397 27.33260
299.0219 25.84076
299.5040 23.77130
299.9861 21.91708
300.4682 20.49229
300.9503 19.20532
301.4324 17.65660
301.9146 15.92101
302.3967 14.25212
302.8788 12.86020
303.3609 11.62718
303.8430 10.43887
304.3251 9.311798
304.8073 8.105652
305.2894 6.467560
305.7715 4.624420
306.2536 3.090271
306.7357 2.422211
307.2178 2.052765
307.7000 1.342041
308.1821 0.1939390
308.6642 0.8552400
309.1463 1.342987
309.6284 1.485367
310.1105 1.619598
310.5927 1.974197
311.0748 2.310318
311.5569 2.444916
312.0390 2.373245
312.5211 2.240875
313.0032 2.175812
313.4854 2.070648
313.9675 1.814087
314.4496 1.426270
314.9317 0.8260040
315.4138 0.1138310
315.8959 1.348175
316.3781 2.623062
316.8602 3.699951
317.3423 4.836502
317.8244 6.221298
318.3065 7.968369
318.7886 9.862320
319.2708 11.90985
319.7529 14.05128
320.2350 16.12802
320.7171 18.16472
321.1992 20.04201
321.6813 21.66560
322.1635 22.90433
322.6456 24.15613
323.1277 25.60107
323.6098 27.08679
324.0919 28.36513
324.5740 29.45784
325.0562 30.26099
325.5383 30.68080
326.0204 30.61868
326.5025 30.56718
326.9846 30.35602
327.4667 30.25566
327.9489 30.55775
328.4310 31.96503
328.9131 32.99521
329.3952 33.33385
329.8773 32.96567
330.3594 32.64244
330.8416 32.33713
331.3237 32.10254
331.8058 31.99168
332.2879 32.15199
332.7700 32.17679
333.2521 31.96754
333.7343 31.58568
334.2164 31.33047
334.6985 31.21381
335.1806 31.20076
335.6627 31.16542
336.1448 30.80797
336.6270 31.37448
337.1091 33.05136
337.5912 35.53915
338.0733 38.35162
338.5554 41.54778
339.0375 44.78242
339.5197 47.83418
340.0018 50.64014
340.4839 53.92654
340.9660 57.59837
341.4481 61.81631
341.9302 66.85959
342.4124 72.83395
342.8945 78.74687
343.3766 84.21111
343.8587 89.39122
344.3408 95.41258
344.8229 102.3354
345.3051 109.5537
345.7872 116.5059
346.2693 123.2155
346.7514 130.1360
347.2335 137.3640
347.7156 144.7547
348.1978 152.0182
348.6799 159.1250
349.1620 165.7678
349.6441 171.6976
350.1262 177.0278
350.6083 181.9927
351.0905 186.6693
351.5726 190.9762
352.0547 194.6734
352.5368 197.9151
353.0189 201.1682
353.5010 204.7547
353.9832 208.4384
354.4653 212.0391
354.9474 215.5918
355.4295 218.7188
355.9116 220.6301
356.3937 222.0424
356.8759 224.0094
357.3580 228.1135
357.8401 231.9265
358.3222 233.8014
358.8043 233.8984
359.2864 233.0535
359.7686 231.6819
360.2507 229.5694
360.7328 226.5519
361.2149 222.5219
361.6970 217.6727
362.1791 211.9328
362.6613 205.4195
363.1434 198.4067
363.6255 190.6737
364.1076 182.7006
364.5897 174.6158
365.0718 166.5592
365.5540 158.5115
366.0361 150.4275
366.5182 142.3444
367.0003 134.3627
367.4824 126.0638
367.9645 118.3421
368.4467 111.3198
368.9288 105.1210
369.4109 99.56277
369.8930 94.95615
370.3751 90.77597
370.8572 86.66725
371.3394 82.70961
371.8215 78.76137
372.3036 74.65471
372.7857 70.56586
373.2678 67.07344
373.7499 64.26430
374.2321 61.75548
374.7142 59.41731
375.1963 57.24751
375.6784 55.20523
376.1605 53.35921
376.6426 51.56126
377.1248 49.61345
377.6069 47.45114
378.0890 45.39420
378.5711 43.56540
379.0532 41.93649
379.5353 40.47487
380.0175 39.20325
380.4996 37.92078
380.9817 36.43288
381.4638 34.76059
381.9459 32.96750
382.4280 30.99437
382.9102 29.02792
383.3923 27.43463
383.8744 26.19511
384.3565 25.26535
384.8386 25.17702
385.3207 25.29341
385.8029 24.05075
386.2850 21.05899
386.7671 17.91548
387.2492 16.33626
387.7313 15.84940
388.2134 15.41713
388.6956 14.46936
389.1777 13.43797
389.6598 12.80482
390.1419 12.55048
390.6240 12.16757
391.1061 11.14597
391.5883 9.917770
392.0704 8.927124
392.5525 8.321259
393.0346 7.945206
393.5167 7.830765
393.9988 7.897812
394.4810 7.916382
394.9631 8.072250
395.4452 7.953690
395.9273 7.250458
396.4094 5.676315
396.8915 4.321243
397.3737 3.433502
397.8558 2.852020
398.3379 2.378479
398.8200 2.047546
399.3021 1.762253
399.7842 1.549759
400.2664 1.407928
400.7485 1.117081
401.2306 0.5685270
401.7127 2.2414999E-02
402.1948 0.5240940
402.6769 0.9283140
403.1591 1.261368
403.6412 1.509079
404.1233 1.693726
404.6054 1.901855
405.0875 2.178665
405.5696 2.333435
406.0518 2.259064
406.5339 1.947723
407.0160 1.666031
407.4981 1.457703
407.9802 1.151855
408.4623 0.5550690
408.9445 0.3360750
409.4266 1.462723
409.9087 2.923492
410.3908 4.518158
410.8729 5.608963
411.3550 6.223724
411.8372 7.044067
412.3193 8.782471
412.8014 11.08105
413.2835 13.06648
413.7656 14.57286
414.2477 16.01215
414.7299 17.72595
415.2120 19.70570
415.6941 21.88699
416.1762 24.34335
416.6583 26.94051
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