#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:59:00 +0300 (Thu, 24 May 2018) $
#$Revision: 839 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000326.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_1000326
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 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            R120095.rod
_rod_data_source.block           3500000
_rod_database.code               1000326
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
177.2732 0.0000000E+00
177.7553 0.3115620
178.2374 2.1770000E-02
178.7195 0.1014600
179.2017 0.3636440
179.6838 1.058403
180.1659 1.496586
180.6480 1.663113
181.1301 1.715282
181.6122 1.736752
182.0944 1.758873
182.5765 1.888275
183.0586 2.110428
183.5407 2.470406
184.0228 3.164600
184.5049 4.217876
184.9871 5.387150
185.4692 6.446114
185.9513 7.393051
186.4334 8.136559
186.9155 8.443264
187.3976 8.497341
187.8798 8.988194
188.3619 9.999390
188.8440 11.18813
189.3261 12.07858
189.8082 12.69546
190.2903 13.21775
190.7725 13.66801
191.2546 14.08352
191.7367 14.62907
192.2188 15.31841
192.7009 16.12096
193.1830 17.08479
193.6652 18.20947
194.1473 19.11631
194.6294 19.45992
195.1115 19.29486
195.5936 19.36032
196.0757 19.77686
196.5579 20.30373
197.0400 20.51303
197.5221 20.40154
198.0042 20.03635
198.4863 19.21898
198.9684 17.93954
199.4506 17.40642
199.9327 17.94080
200.4148 18.95699
200.8969 19.13815
201.3790 18.38052
201.8611 17.38086
202.3433 16.45107
202.8254 15.57479
203.3075 14.96913
203.7896 14.71632
204.2717 14.68708
204.7538 14.53191
205.2360 14.19580
205.7181 13.93046
206.2002 13.92542
206.6823 14.22954
207.1644 14.45070
207.6465 14.54839
208.1287 14.54797
208.6108 14.50777
209.0929 14.39592
209.5750 14.33036
210.0571 14.36850
210.5392 14.50165
211.0214 14.80354
211.5035 15.38292
211.9856 16.10256
212.4677 16.49827
212.9498 16.52124
213.4319 16.33897
213.9140 16.02175
214.3962 15.52591
214.8783 15.03559
215.3604 14.49473
215.8425 14.02138
216.3246 13.97015
216.8067 14.46219
217.2889 15.09937
217.7710 15.56926
218.2531 15.87919
218.7352 15.94979
219.2173 15.67694
219.6994 15.15669
220.1816 14.87640
220.6637 14.95409
221.1458 15.05589
221.6279 14.94174
222.1100 14.46716
222.5921 14.16297
223.0743 14.11234
223.5564 14.26644
224.0385 14.41554
224.5206 14.60306
225.0027 14.71519
225.4848 14.65346
225.9670 14.30164
226.4491 14.06684
226.9312 14.03828
227.4133 14.15659
227.8954 14.10706
228.3775 13.75775
228.8597 13.43454
229.3418 13.39615
229.8239 13.93213
230.3060 14.06009
230.7881 13.54882
231.2702 12.55185
231.7524 11.84117
232.2345 11.60725
232.7166 11.39691
233.1987 10.91328
233.6808 9.916977
234.1629 9.186302
234.6451 8.862358
235.1272 8.776340
235.6093 8.545715
236.0914 8.108665
236.5735 7.622128
237.0556 7.140049
237.5378 6.541756
238.0199 6.223122
238.5020 6.333736
238.9841 6.743999
239.4662 6.929813
239.9483 6.870178
240.4305 6.620029
240.9126 6.178547
241.3947 5.412628
241.8768 4.739609
242.3589 4.117958
242.8410 3.604950
243.3232 3.451160
243.8053 3.957813
244.2874 4.408669
244.7695 4.414047
245.2516 3.741116
245.7337 3.142624
246.2159 2.659210
246.6980 2.258667
247.1801 1.839054
247.6622 1.337147
248.1443 0.9031870
248.6264 0.6258050
249.1086 0.5846940
249.5907 0.4976620
250.0728 0.3165970
250.5549 9.9682003E-02
251.0370 2.0804999E-02
251.5191 0.1911620
252.0013 0.3255120
252.4834 0.2957840
252.9655 5.3142998E-02
253.4476 0.2429280
253.9297 0.6988490
254.4118 1.159649
254.8940 1.230663
255.3761 0.6424480
255.8582 0.1420900
256.3403 0.1100230
256.8224 0.7928050
257.3046 1.114109
257.7867 0.9511800
258.2688 0.5057490
258.7509 0.1515730
259.2330 0.1020810
259.7151 0.2964670
260.1973 0.4187890
260.6794 0.4423980
261.1615 0.4624100
261.6436 0.4438670
262.1257 0.5094450
262.6078 0.8927420
263.0900 1.754608
263.5721 2.484402
264.0542 2.789413
264.5363 2.579044
265.0184 2.540916
265.5005 2.690136
265.9827 3.053501
266.4648 3.738075
266.9469 4.889801
267.4290 5.906162
267.9111 6.603188
268.3932 6.957615
268.8754 7.309044
269.3575 7.647339
269.8396 7.939495
270.3217 8.125496
270.8038 8.178440
271.2859 8.235279
271.7681 8.382179
272.2502 8.607292
272.7323 8.632240
273.2144 8.389736
273.6965 8.025970
274.1786 7.686386
274.6608 7.368168
275.1429 7.074715
275.6250 6.801540
276.1071 6.566013
276.5892 6.427258
277.0714 6.443714
277.5535 6.411484
278.0356 6.040924
278.5177 5.277447
278.9998 4.772213
279.4819 4.709278
279.9641 4.993176
280.4462 5.235214
280.9283 5.436501
281.4104 5.592735
281.8925 5.637859
282.3746 5.567661
282.8568 5.698708
283.3389 6.118061
283.8210 6.744728
284.3031 7.334309
284.7852 7.875134
285.2673 8.514008
285.7495 9.431194
286.2316 10.60099
286.7137 11.64457
287.1958 12.46170
287.6779 13.21060
288.1600 14.15046
288.6422 15.27925
289.1243 16.71053
289.6064 18.56421
290.0885 20.79041
290.5706 23.03376
291.0527 25.21807
291.5349 27.51408
292.0170 30.25004
292.4991 33.37683
292.9812 36.64612
293.4633 39.89697
293.9454 43.15934
294.4276 46.55519
294.9097 50.10269
295.3918 53.58482
295.8739 56.94566
296.3560 60.06042
296.8381 62.49325
297.3203 64.07268
297.8024 64.79594
298.2845 64.63442
298.7666 63.57171
299.2487 61.74175
299.7308 59.05605
300.2130 55.65596
300.6951 51.99481
301.1772 48.20707
301.6593 44.29714
302.1414 40.01927
302.6235 35.42398
303.1057 31.12107
303.5878 27.69588
304.0699 24.94400
304.5520 22.57403
305.0341 20.61557
305.5162 18.88311
305.9984 17.21539
306.4805 15.61664
306.9626 14.00565
307.4447 12.14779
307.9268 10.31272
308.4089 8.891850
308.8911 8.078072
309.3732 7.557201
309.8553 7.259701
310.3374 7.094799
310.8195 6.746117
311.3016 5.749817
311.7838 4.633518
312.2659 3.902531
312.7480 3.813152
313.2301 3.791107
313.7122 3.460423
314.1943 2.924877
314.6765 2.412941
315.1586 2.081661
315.6407 1.790722
316.1228 1.407627
316.6049 0.8590350
317.0870 0.4469570
317.5692 0.4956210
318.0513 0.7216680
318.5334 0.7282870
319.0155 0.1147190
319.4976 0.5111350
319.9797 0.9151120
320.4619 1.078400
320.9440 1.049740
321.4261 0.6094930
321.9082 8.5316002E-02
322.3903 0.2104450
322.8724 5.8019999E-03
323.3546 0.2275810
323.8367 0.3403890
324.3188 0.3378560
324.8009 0.4393390
325.2830 0.8524550
325.7651 1.272774
326.2473 1.502029
326.7294 1.358631
327.2115 1.210178
327.6936 1.047485
328.1757 0.8901860
328.6578 0.8314590
329.1400 1.054363
329.6221 1.221119
330.1042 1.184681
330.5863 0.8149950
331.0684 0.4551890
331.5505 0.1467820
332.0327 0.1565020
332.5148 0.5753630
332.9969 1.322399
333.4790 1.893127
333.9611 2.058872
334.4432 1.648590
334.9254 1.530384
335.4075 1.854916
335.8896 2.341381
336.3717 2.567223
336.8538 2.363503
337.3359 2.298290
337.8180 2.529209
338.3001 3.050823
338.7823 3.753464
339.2644 4.788124
339.7465 5.695118
340.2286 5.874325
340.7107 5.146614
341.1928 4.786934
341.6750 5.163105
342.1571 6.051556
342.6392 6.521519
343.1213 6.511570
343.6034 6.438873
344.0855 6.641563
344.5677 7.103416
345.0498 7.468655
345.5319 7.686172
346.0140 7.798676
346.4961 7.812958
346.9782 7.736977
347.4604 7.797089
347.9425 8.159458
348.4246 8.769051
348.9067 9.434353
349.3888 10.15614
349.8709 10.88103
350.3531 11.55280
350.8352 12.17475
351.3173 12.75666
351.7994 13.28462
352.2815 13.78591
352.7636 14.34407
353.2458 14.95813
353.7279 15.49426
354.2100 15.66747
354.6921 15.70933
355.1742 16.04313
355.6563 17.04165
356.1385 18.13042
356.6206 18.66273
357.1027 18.75557
357.5848 18.97625
358.0669 19.77534
358.5490 20.81128
359.0312 21.76895
359.5133 22.60058
359.9954 23.33952
360.4775 23.91671
360.9596 24.42110
361.4417 25.02910
361.9239 25.76777
362.4060 26.67102
362.8881 27.81637
363.3702 29.27325
363.8523 30.66824
364.3344 31.76133
364.8166 32.78078
365.2987 33.98711
365.7808 35.67409
366.2629 37.27479
366.7450 38.44926
367.2271 39.19093
367.7093 40.42069
368.1914 42.74041
368.6735 45.28775
369.1556 47.51134
369.6377 48.74411
370.1198 50.42014
370.6020 52.87249
371.0841 55.82174
371.5662 58.29412
372.0483 59.95077
372.5304 61.48586
373.0125 63.20508
373.4947 65.20024
373.9768 67.13520
374.4589 69.01888
374.9410 70.83261
375.4231 72.49627
375.9052 73.93737
376.3874 75.54400
376.8695 77.50285
377.3516 79.81042
377.8337 81.59116
378.3158 82.77495
378.7979 83.77803
379.2801 85.03928
379.7622 86.59473
380.2443 88.01360
380.7264 89.20180
381.2085 90.18064
381.6906 90.99189
382.1728 91.63504
382.6549 92.24639
383.1370 92.98034
383.6191 93.75527
384.1012 94.22787
384.5833 94.37178
385.0655 94.27986
385.5476 94.03569
386.0297 93.65038
386.5118 93.16933
386.9939 92.69675
387.4760 92.08840
387.9582 91.12550
388.4403 89.81683
388.9224 88.30977
389.4045 86.41911
389.8866 84.49675
390.3687 83.06201
390.8509 82.73859
391.3330 82.48151
391.8151 81.59559
392.2972 80.15194
392.7793 78.45236
393.2614 76.29015
393.7436 74.16871
394.2257 72.45181
394.7078 71.40002
395.1899 70.30206
395.6720 68.85812
396.1541 67.21507
396.6363 65.61009
397.1184 64.01982
397.6005 62.54996
398.0826 61.32270
398.5647 60.39609
399.0468 59.24058
399.5290 57.50850
400.0111 55.69474
400.4932 54.19852
400.9753 53.34106
401.4574 52.36986
401.9395 51.20307
402.4217 49.87266
402.9038 48.55160
403.3859 47.28373
403.8680 45.96251
404.3501 44.53096
404.8322 42.99181
405.3144 41.35573
405.7965 39.58076
406.2786 37.78078
406.7607 36.16408
407.2428 34.75849
407.7249 33.38631
408.2071 32.07201
408.6892 30.76339
409.1713 29.06821
409.6534 26.91203
410.1355 24.75826
410.6176 23.12417
411.0998 21.90369
411.5819 20.47115
412.0640 18.58022
412.5461 16.63122
413.0282 15.33230
413.5103 14.59444
413.9925 13.86032
414.4746 12.75449
414.9567 11.45101
415.4388 10.23483
415.9209 9.123344
416.4030 8.046242
416.8852 6.910858
417.3673 5.763817
417.8494 4.677376
418.3315 3.654709
418.8136 2.713593
419.2957 1.819290
419.7779 0.9951480
420.2600 0.3327640
420.7421 2.6779999E-03
421.2242 0.2213520
421.7063 0.5009000
422.1884 0.9361800
422.6706 1.302795
423.1527 1.562653
423.6348 1.717873
424.1169 1.775673
424.5990 1.582581
425.0811 1.442245
425.5633 1.457985
426.0454 1.650970
426.5275 1.864899
427.0096 2.207382
427.4917 2.490280
427.9738 2.558250
428.4560 2.361984
428.9381 2.041840
429.4202 1.527763
429.9023 0.9225230
430.3844 0.5877760
430.8665 0.6127240
431.3487 0.6603930
431.8308 0.6162340
432.3129 0.4898990
432.7950 2.7358999E-02
433.2771 0.8725890
433.7592 1.844086
434.2414 2.359657
434.7235 2.461258
435.2056 2.653236
435.6877 3.133812
436.1698 3.776581
436.6519 4.291290
437.1341 4.689453
437.6162 5.159874
438.0983 5.888863
438.5804 6.778557
439.0625 7.701492
439.5446 8.685860
440.0268 9.534363
440.5089 9.950012
440.9910 10.10472
441.4731 10.34408
441.9552 10.89022
442.4373 11.52069
442.9195 12.08401
443.4016 12.57771
443.8837 13.13647
444.3658 13.88297
444.8479 14.68040
445.3300 15.40826
445.8122 15.87694
446.2943 16.49839
446.7764 17.41298
447.2585 18.53395
447.7406 19.64004
448.2227 20.67811
448.7049 21.73543
449.1870 22.77636
449.6691 23.71458
450.1512 25.13991
450.6333 27.28715
451.1154 29.64825
451.5976 31.70370
452.0797 33.27773
452.5618 35.07321
453.0439 37.21801
453.5260 39.63669
454.0081 42.24204
454.4903 45.05654
454.9724 47.98203
455.4545 50.97246
455.9366 54.02299
456.4187 57.26448
456.9008 60.65293
457.3830 64.35916
457.8651 68.47665
458.3472 73.02021
458.8293 77.82922
459.3114 82.77271
459.7935 88.08781
460.2757 94.27243
460.7578 101.2117
461.2399 108.4500
461.7220 115.4731
462.2041 122.7973
462.6862 130.8501
463.1684 139.7132
463.6505 149.1002
464.1326 158.5826
464.6147 168.4675
465.0968 179.3353
465.5789 191.4788
466.0611 204.2028
466.5432 217.5267
467.0253 231.3712
467.5074 245.4687
467.9895 258.6230
468.4716 273.0012
468.9538 289.6354
469.4359 309.1739
469.9180 329.0701
470.4001 349.2520
470.8822 370.0399
471.3643 392.0295
471.8465 415.2841
472.3286 439.5079
472.8107 464.5606
473.2928 490.2815
473.7749 518.1987
474.2570 548.4221
474.7392 579.5441
475.2213 610.3850
475.7034 641.1172
476.1855 673.0242
476.6676 706.3528
477.1497 740.6378
477.6319 776.0029
478.1140 811.7662
478.5961 845.1779
479.0782 874.5715
479.5603 901.2884
480.0424 927.7822
480.5246 953.7120
481.0067 975.4243
481.4888 991.7346
481.9709 1002.280
482.4530 1006.552
482.9352 1004.108
483.4173 996.2067
483.8994 983.0087
484.3815 964.6390
484.8636 941.4457
485.3457 911.8044
485.8279 879.2542
486.3100 843.9528
486.7921 805.7875
487.2742 767.8947
487.7563 730.1224
488.2384 692.3636
488.7206 654.5880
489.2027 616.1450
489.6848 579.8775
490.1669 545.8864
490.6490 514.0178
491.1311 483.2665
491.6133 453.8147
492.0954 426.0177
492.5775 399.8815
493.0596 375.5256
493.5417 353.1611
494.0238 332.8763
494.5060 313.8628
494.9881 295.5335
495.4702 278.1388
495.9523 261.7969
496.4344 246.6257
496.9165 232.5530
497.3987 219.7430
497.8808 207.8810
498.3629 196.6620
498.8450 185.9920
499.3271 175.8910
499.8092 166.5734
500.2914 157.8743
500.7735 149.7033
501.2556 142.0161
501.7377 134.6595
502.2198 127.4765
502.7019 120.1265
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