#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:58 +0300 (Thu, 24 May 2018) $
#$Revision: 911 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000388.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_1000388
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        R120095
_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            R120095.rod
_rod_data_source.block           3500000
_rod_database.code               1000388
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
125.8338 0.0000000E+00
126.3159 1.2558000E-02
126.7980 8.8027999E-02
127.2802 1.9226000E-02
127.7623 0.5830230
128.2444 2.089417
128.7265 4.616516
129.2086 6.569473
129.6907 6.774719
130.1729 7.056671
130.6550 8.429321
131.1371 10.92947
131.6192 13.73596
132.1013 15.57649
132.5834 15.43556
133.0656 16.31519
133.5477 19.05490
134.0298 22.15814
134.5119 24.41614
134.9940 25.45326
135.4761 25.83554
135.9583 26.83626
136.4404 28.78548
136.9225 31.03754
137.4046 33.93591
137.8867 36.97943
138.3688 39.46007
138.8510 41.01224
139.3331 41.87274
139.8152 42.83057
140.2973 44.05902
140.7794 45.11752
141.2615 45.89041
141.7437 46.36911
142.2258 46.45958
142.7079 45.95074
143.1900 45.17355
143.6721 44.80524
144.1542 45.18433
144.6364 45.63390
145.1185 45.27707
145.6006 44.19772
146.0827 43.60561
146.5648 43.95517
147.0469 44.60196
147.5291 45.24104
148.0112 45.21495
148.4933 44.27110
148.9754 43.63771
149.4575 43.94519
149.9396 43.74400
150.4218 42.46606
150.9039 40.53958
151.3860 38.53644
151.8681 36.84897
152.3502 35.48863
152.8323 34.04997
153.3145 32.52095
153.7966 30.90167
154.2787 29.25468
154.7608 27.54308
155.2429 25.61339
155.7250 23.27921
156.2072 20.48750
156.6893 18.20450
157.1714 16.63133
157.6535 15.25192
158.1356 13.88846
158.6177 12.52121
159.0999 11.18240
159.5820 9.913239
160.0641 8.722382
160.5462 7.479584
161.0283 6.041931
161.5104 4.661728
161.9926 3.499649
162.4747 2.581909
162.9568 1.910324
163.4389 1.661743
163.9210 1.803345
164.4031 1.672180
164.8853 0.8268740
165.3674 0.2729950
165.8495 0.8800810
166.3316 0.7949370
166.8137 0.4911960
167.2958 0.2918550
167.7780 0.2183530
168.2601 0.4210050
168.7422 1.281799
169.2243 2.561676
169.7064 3.222137
170.1885 2.885635
170.6707 2.222931
171.1528 1.638794
171.6349 1.142532
172.1170 0.6929470
172.5991 0.2365420
173.0812 0.2332920
173.5634 0.5940700
174.0455 0.6657560
174.5276 0.7790070
175.0097 0.9942930
175.4918 1.353531
175.9739 1.942368
176.4561 2.955658
176.9382 4.651840
177.4203 5.882004
177.9024 6.260269
178.3845 6.532486
178.8666 7.059341
179.3488 7.901398
179.8309 8.928589
180.3130 9.972290
180.7951 11.06586
181.2772 12.05962
181.7593 12.97835
182.2415 13.81308
182.7236 14.49072
183.2057 15.02921
183.6878 15.70634
184.1699 16.58688
184.6520 17.81288
185.1342 18.98123
185.6163 20.08121
186.0984 21.12032
186.5805 22.15007
187.0626 23.19499
187.5447 24.12207
188.0269 24.62483
188.5090 24.59344
188.9911 24.67180
189.4732 25.08585
189.9553 25.69043
190.4374 26.26624
190.9196 26.78102
191.4017 27.16728
191.8838 27.28046
192.3659 27.11011
192.8480 26.95151
193.3301 26.97154
193.8123 27.12743
194.2944 27.28299
194.7765 27.53981
195.2586 27.58858
195.7407 27.09145
196.2228 26.04713
196.7050 24.97720
197.1871 24.28229
197.6692 23.92413
198.1513 23.42377
198.6334 22.60365
199.1155 21.66890
199.5977 20.66959
200.0798 19.62905
200.5619 18.73148
201.0440 18.31317
201.5261 18.51985
202.0082 18.36403
202.4904 17.30373
202.9725 16.11344
203.4546 15.08464
203.9367 14.27270
204.4188 13.63193
204.9009 13.18771
205.3831 13.01592
205.8652 12.84804
206.3473 12.71491
206.8294 12.55524
207.3115 12.28198
207.7936 11.91192
208.2758 11.58011
208.7579 11.49096
209.2400 11.76853
209.7221 12.03934
210.2042 12.25613
210.6863 12.49597
211.1685 12.86855
211.6506 13.37144
212.1327 13.84917
212.6148 14.05148
213.0969 13.72649
213.5790 13.66164
214.0612 14.04619
214.5433 14.55616
215.0254 14.90643
215.5075 15.03960
215.9896 15.13728
216.4717 15.46860
216.9539 16.18020
217.4360 16.76657
217.9181 17.21624
218.4002 17.54330
218.8823 17.68536
219.3644 17.62321
219.8466 17.56853
220.3287 17.86630
220.8108 18.59935
221.2929 19.20293
221.7750 19.59963
222.2571 19.83459
222.7393 19.86803
223.2214 19.61817
223.7035 19.38165
224.1856 19.70557
224.6677 20.55633
225.1498 21.20512
225.6320 21.40251
226.1141 21.27261
226.5962 20.98399
227.0783 20.52821
227.5604 19.96855
228.0425 19.34675
228.5247 18.70964
229.0068 18.14874
229.4889 17.70740
229.9710 17.36414
230.4531 17.09046
230.9352 16.92026
231.4174 16.72908
231.8995 16.45393
232.3816 16.09444
232.8637 15.62778
233.3458 15.00127
233.8279 14.25866
234.3101 13.47082
234.7922 12.47384
235.2743 11.75620
235.7564 11.77054
236.2385 12.21954
236.7206 12.48862
237.2028 12.07130
237.6849 11.18961
238.1670 10.83985
238.6491 11.47303
239.1312 11.97436
239.6133 11.80573
240.0955 11.22408
240.5776 10.64953
241.0597 10.32302
241.5418 10.20503
242.0239 10.13593
242.5060 10.21909
242.9882 10.19991
243.4703 9.947937
243.9524 9.567795
244.4345 9.211357
244.9166 8.971390
245.3987 8.815620
245.8809 8.614120
246.3630 8.478493
246.8451 8.126541
247.3272 7.342209
247.8093 6.365799
248.2914 5.507942
248.7736 4.938622
249.2557 4.595230
249.7378 4.240021
250.2199 4.008919
250.7020 3.573914
251.1841 2.718765
251.6663 1.703522
252.1484 0.8433530
252.6305 0.2857890
253.1126 4.5563001E-02
253.5947 0.4116360
254.0768 0.9859540
254.5590 1.364548
255.0411 1.455597
255.5232 1.369347
256.0053 1.212204
256.4874 1.029099
256.9695 0.8254550
257.4517 0.6139600
257.9338 0.2432480
258.4159 6.0341001E-02
258.8980 0.2322390
259.3801 0.5219650
259.8622 0.7186810
260.3444 0.7500150
260.8265 0.6149670
261.3086 0.3047870
261.7907 0.3833310
262.2728 0.9378280
262.7549 1.291283
263.2371 1.590332
263.7192 1.945206
264.2013 2.377892
264.6834 2.831932
265.1655 3.221169
265.6476 3.497177
266.1298 3.837189
266.6119 4.235672
267.0940 4.710686
267.5761 5.338257
268.0582 6.140274
268.5403 6.892632
269.0225 7.328758
269.5046 7.360359
269.9867 7.455826
270.4688 7.755051
270.9509 7.988564
271.4330 7.910362
271.9152 7.509476
272.3973 6.971672
272.8794 6.401192
273.3615 5.802773
273.8436 5.524765
274.3257 5.862068
274.8079 6.318428
275.2900 6.435455
275.7721 6.214249
276.2542 6.068840
276.7363 6.338600
277.2184 6.989647
277.7006 7.537651
278.1827 8.021339
278.6648 8.370682
279.1469 8.401062
279.6290 8.167023
280.1111 8.092575
280.5933 8.452087
281.0754 9.180313
281.5575 9.940910
282.0396 10.82537
282.5217 11.63131
283.0038 12.10286
283.4860 12.32925
283.9681 12.77569
284.4502 13.64252
284.9323 14.89353
285.4144 16.42149
285.8965 18.37797
286.3787 20.23325
286.8608 21.46605
287.3429 22.29918
287.8250 23.60473
288.3071 25.79277
288.7892 28.41480
289.2714 30.74065
289.7535 32.69263
290.2356 34.89840
290.7177 37.77347
291.1998 41.12765
291.6819 44.49449
292.1641 47.76660
292.6462 51.05303
293.1283 54.64513
293.6104 58.48460
294.0925 61.94942
294.5746 64.64382
295.0568 66.80502
295.5389 69.08080
296.0210 71.80404
296.5031 73.86906
296.9852 74.15532
297.4673 73.03602
297.9495 71.18620
298.4316 68.72692
298.9137 65.70683
299.3958 62.10372
299.8779 57.84121
300.3600 53.35793
300.8422 48.65250
301.3243 43.96867
301.8064 39.85989
302.2885 36.64082
302.7706 33.80571
303.2527 30.67326
303.7349 27.18449
304.2170 24.06921
304.6991 21.79442
305.1812 20.06332
305.6633 18.47312
306.1454 16.97755
306.6276 15.63624
307.1097 14.54199
307.5918 13.68596
308.0739 12.88169
308.5560 12.09891
309.0381 11.31795
309.5203 10.49592
310.0024 9.617783
310.4845 8.788071
310.9666 8.103577
311.4487 7.532654
311.9308 6.939438
312.4130 6.326103
312.8951 5.697716
313.3772 5.033760
313.8593 4.348770
314.3414 3.731567
314.8235 3.201118
315.3057 2.771675
315.7878 2.545547
316.2699 2.637505
316.7520 2.609940
317.2341 1.960205
317.7162 0.9576340
318.1984 0.1944810
318.6805 0.1082310
319.1626 0.3039550
319.6447 9.5435999E-02
320.1268 0.6388020
320.6089 1.305397
321.0911 1.526123
321.5732 1.477211
322.0553 1.367058
322.5374 1.205322
323.0195 1.047379
323.5016 1.002518
323.9838 1.071877
324.4659 0.9832460
324.9480 0.3774950
325.4301 0.2466660
325.9122 0.1762240
326.3943 0.7733690
326.8765 1.645576
327.3586 1.651184
327.8407 0.9362950
328.3228 0.2995530
328.8049 9.9876001E-02
329.2870 0.3264160
329.7692 0.3972090
330.2513 0.3286130
330.7334 0.3316500
331.2155 0.5385440
331.6976 0.8879010
332.1797 1.254379
332.6619 1.645355
333.1440 1.995461
333.6261 2.179283
334.1082 2.272774
334.5903 2.471931
335.0724 2.873276
335.5546 3.391510
336.0367 3.974693
336.5188 4.636932
337.0009 5.166229
337.4830 5.320229
337.9651 5.294693
338.4473 5.467941
338.9294 5.977226
339.4115 6.542564
339.8936 6.981529
340.3757 7.291824
340.8578 7.437271
341.3400 7.282013
341.8221 7.085320
342.3042 7.243103
342.7863 7.798149
343.2684 8.429001
343.7505 9.009872
344.2327 9.549362
344.7148 10.06670
345.1969 10.56397
345.6790 11.04440
346.1611 11.51479
346.6432 11.97514
347.1254 12.40788
347.6075 12.69742
348.0896 13.00996
348.5717 13.60095
349.0538 14.50437
349.5359 15.41355
350.0181 16.12983
350.5002 16.65993
350.9823 17.09738
351.4644 17.28977
351.9465 17.52242
352.4286 17.96692
352.9108 18.61199
353.3929 19.43358
353.8750 20.46206
354.3571 21.61697
354.8392 22.69569
355.3214 23.66825
355.8035 24.64165
356.2856 25.64113
356.7677 26.66568
357.2498 27.74633
357.7319 28.91160
358.2141 30.02467
358.6962 30.80667
359.1783 31.13181
359.6604 31.93111
360.1425 33.68137
360.6246 35.72853
361.1068 37.48217
361.5889 38.89594
362.0710 40.15903
362.5531 41.39215
363.0352 42.60851
363.5173 43.96930
363.9995 45.47459
364.4816 47.13466
364.9637 49.02045
365.4458 51.08466
365.9279 53.15516
366.4100 55.09845
366.8922 57.01765
367.3743 59.28073
367.8564 62.14041
368.3385 65.00967
368.8206 67.83940
369.3027 70.59709
369.7849 73.17531
370.2670 75.54745
370.7491 77.90857
371.2312 80.54613
371.7133 83.58188
372.1954 86.46994
372.6776 89.24109
373.1597 91.80935
373.6418 94.09805
374.1239 96.15636
374.6060 98.14334
375.0881 100.1975
375.5703 102.3236
376.0524 104.4667
376.5345 106.6495
377.0166 108.8406
377.4987 111.2709
377.9808 113.6234
378.4630 115.4153
378.9451 116.4484
379.4272 117.0546
379.9093 118.0048
380.3914 119.6775
380.8735 121.0762
381.3557 122.1258
381.8378 122.9346
382.3199 123.5700
382.8020 124.0820
383.2841 124.4841
383.7662 124.8085
384.2484 125.0465
384.7305 125.0101
385.2126 124.7081
385.6947 124.2206
386.1768 123.4430
386.6589 122.4631
387.1411 121.4906
387.6232 120.6895
388.1053 119.9322
388.5874 118.7459
389.0695 116.9263
389.5516 115.0470
390.0338 112.9031
390.5159 110.9371
390.9980 109.7331
391.4801 109.4365
391.9622 109.3089
392.4443 108.3780
392.9265 106.5552
393.4086 104.8107
393.8907 103.2452
394.3728 101.8178
394.8549 100.6169
395.3370 99.56419
395.8192 98.39340
396.3013 96.84139
396.7834 95.04086
397.2655 93.45983
397.7476 92.17195
398.2297 90.92055
398.7119 89.55160
399.1940 88.14064
399.6761 86.80906
400.1582 85.63427
400.6403 84.43816
401.1224 83.09167
401.6046 81.57947
402.0867 79.81958
402.5688 77.71650
403.0509 75.41651
403.5330 73.09128
404.0151 70.74157
404.4973 68.38369
404.9794 66.13731
405.4615 63.85620
405.9436 61.21901
406.4257 58.17027
406.9078 55.05498
407.3900 52.19102
407.8721 49.52922
408.3542 46.73901
408.8363 43.67853
409.3184 40.60240
409.8005 37.62305
410.2827 34.76635
410.7648 32.19243
411.2469 30.01679
411.7290 28.07641
412.2111 26.00902
412.6932 23.74938
413.1754 21.55354
413.6575 19.47138
414.1396 17.47340
414.6217 15.44321
415.1038 13.39249
415.5859 11.57657
416.0681 10.31334
416.5502 9.686897
417.0323 8.666924
417.5144 6.829384
417.9965 5.107109
418.4786 3.877365
418.9608 3.042343
419.4429 2.381783
419.9250 1.789963
420.4071 1.247856
420.8892 0.7089000
421.3713 0.2797010
421.8535 0.3164370
422.3356 1.427467
422.8177 2.465912
423.2998 2.863693
423.7819 2.624413
424.2640 2.271729
424.7462 2.382797
425.2283 3.007591
425.7104 3.363579
426.1925 3.276733
426.6746 3.086716
427.1567 2.808167
427.6389 2.509537
428.1210 2.318512
428.6031 2.322784
429.0852 2.354927
429.5673 1.991318
430.0494 1.040375
430.5316 0.3814700
431.0137 0.6507340
431.4958 0.9899900
431.9779 0.8507920
432.4600 0.2022320
432.9421 0.6338200
433.4243 1.555672
433.9064 2.492821
434.3885 3.081192
434.8706 3.139557
435.3527 3.238228
435.8348 3.838165
436.3170 4.711258
436.7991 5.473343
437.2812 5.888046
437.7633 6.361305
438.2454 7.443275
438.7275 9.020729
439.2097 10.22832
439.6918 10.62301
440.1739 10.72956
440.6560 11.37674
441.1381 12.59602
441.6202 13.74368
442.1024 14.45473
442.5845 15.10316
443.0666 16.18410
443.5487 17.71769
444.0308 19.24321
444.5129 20.36972
444.9951 21.16608
445.4772 22.33810
445.9593 24.20275
446.4414 26.00754
446.9235 27.37450
447.4056 28.58308
447.8878 30.05376
448.3699 31.92998
448.8520 34.07842
449.3341 36.31008
449.8162 38.59288
450.2983 41.05704
450.7805 43.63683
451.2626 46.41934
451.7447 49.47285
452.2268 52.77623
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