#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:48:38 +0300 (Thu, 24 May 2018) $
#$Revision: 790 $
#$URL: svn://172.16.1.111/rod/cif/2/20/00/2200002.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2200002
loop_
_publ_author_name
'Yang, Yongbo W.'
'Stevenson, Ryan A.'
'Siegel, Alesha M.'
'Downs, Gordon W.'
_publ_section_title
;
 Redetermination of eveite, Mn~2~AsO~4~(OH), based on single-crystal X-ray
 diffraction data
;
_journal_coeditor_code           WM2546
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              68
_journal_paper_doi               10.1107/S1600536811044266
_journal_volume                  67
_journal_year                    2011
_chemical_compound_source        R100048
_chemical_formula_iupac          'Mn2 As O4 (O H)'
_chemical_formula_moiety         'As H Mn2 O5'
_chemical_formula_sum            'As H Mn2 O5'
_chemical_formula_weight         265.81
_chemical_name_common            Eveite
_chemical_name_systematic
;
dimanganese(II) arsenate(V) hydroxide
;
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5478(16)
_cell_length_b                   8.7207(16)
_cell_length_c                   6.2961(12)
_cell_measurement_reflns_used    2202
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32
_cell_measurement_theta_min      4
_cell_volume                     469.33(15)
_cod_data_source_file            wm2546.cif
_cod_data_source_block           I
_cod_database_code               2232985
_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            R100048.rod
_rod_data_source.block           3500000
_rod_database.code               2200002
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 2232985 COD http://www.crystallography.net/cod/2232985.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
171.9699 0.0000000E+00
172.4520 0.3942870
172.9341 0.1495970
173.4163 1.540771
173.8984 1.580017
174.3805 0.3544310
174.8626 0.7760620
175.3447 0.1383670
175.8268 1.878723
176.3090 3.582397
176.7911 2.917603
177.2732 1.292053
177.7553 1.086243
178.2374 3.469360
178.7195 6.853821
179.2017 9.428162
179.6838 11.24866
180.1659 12.52191
180.6480 12.44318
181.1301 11.91895
181.6122 13.25208
182.0944 18.04858
182.5765 24.33087
183.0586 29.58606
183.5407 33.71869
184.0228 35.78735
184.5049 33.07227
184.9871 27.03552
185.4692 23.07544
185.9513 23.60767
186.4334 26.99768
186.9155 29.55890
187.3976 31.22064
187.8798 32.69440
188.3619 34.43634
188.8440 36.52448
189.3261 39.35565
189.8082 43.73425
190.2903 48.97113
190.7725 52.85883
191.2546 55.51300
191.7367 56.55615
192.2188 54.41077
192.7009 49.30634
193.1830 45.88623
193.6652 46.66418
194.1473 50.90942
194.6294 53.75647
195.1115 55.03595
195.5936 55.48297
196.0757 55.66901
196.5579 55.54260
197.0400 56.23438
197.5221 58.72888
198.0042 62.82983
198.4863 65.60260
198.9684 66.84174
199.4506 67.18640
199.9327 67.29816
200.4148 67.10437
200.8969 67.35431
201.3790 68.86591
201.8611 71.72278
202.3433 72.54169
202.8254 70.58606
203.3075 67.73560
203.7896 67.54266
204.2717 70.55145
204.7538 73.33533
205.2360 74.28467
205.7181 73.17163
206.2002 72.03491
206.6823 70.41931
207.1644 69.30566
207.6465 71.33594
208.1287 77.77350
208.6108 82.86816
209.0929 83.13220
209.5750 77.08258
210.0571 74.70740
210.5392 77.37164
211.0214 82.53333
211.5035 84.81635
211.9856 82.08655
212.4677 80.04138
212.9498 82.51007
213.4319 90.51331
213.9140 96.63373
214.3962 100.9657
214.8783 103.9915
215.3604 107.3106
215.8425 110.0007
216.3246 112.3691
216.8067 115.7131
217.2889 121.6364
217.7710 125.8763
218.2531 127.7637
218.7352 129.9268
219.2173 133.4034
219.6994 139.5040
220.1816 144.4805
220.6637 146.7295
221.1458 145.7549
221.6279 143.6589
222.1100 139.9845
222.5921 135.4277
223.0743 131.8600
223.5564 130.0887
224.0385 127.9792
224.5206 124.5316
225.0027 119.2579
225.4848 113.8398
225.9670 107.8067
226.4491 101.8642
226.9312 98.18951
227.4133 98.73566
227.8954 98.40454
228.3775 94.39325
228.8597 84.12073
229.3418 76.33215
229.8239 71.56592
230.3060 69.12958
230.7881 67.51349
231.2702 67.32104
231.7524 66.93652
232.2345 65.61768
232.7166 63.04083
233.1987 60.17029
233.6808 56.95917
234.1629 53.46204
234.6451 49.64178
235.1272 44.86011
235.6093 40.78955
236.0914 38.33801
236.5735 38.52625
237.0556 38.03485
237.5378 36.39185
238.0199 34.25385
238.5020 33.37689
238.9841 34.68286
239.4662 35.92853
239.9483 36.15381
240.4305 34.98254
240.9126 33.65295
241.3947 32.23535
241.8768 30.61523
242.3589 28.33582
242.8410 24.40369
243.3232 21.28418
243.8053 20.33667
244.2874 23.22498
244.7695 24.12988
245.2516 22.28259
245.7337 18.76685
246.2159 15.84875
246.6980 13.15820
247.1801 11.68237
247.6622 12.29089
248.1443 16.71301
248.6264 18.28870
249.1086 16.16687
249.5907 11.66052
250.0728 7.053467
250.5549 0.9058840
251.0370 2.898926
251.5191 1.962402
252.0013 6.375122
252.4834 10.17456
252.9655 7.319580
253.4476 1.137451
253.9297 2.261597
254.4118 2.048706
254.8940 0.5791020
255.3761 1.725342
255.8582 5.506470
256.3403 7.569458
256.8224 7.730225
257.3046 6.337036
257.7867 3.555542
258.2688 1.872070
258.7509 6.007568
259.2330 7.152222
259.7151 4.642944
260.1973 2.909424
260.6794 1.821045
261.1615 1.646606
261.6436 3.471069
262.1257 9.103638
262.6078 12.23389
263.0900 9.750732
263.5721 0.6108400
264.0542 3.636353
264.5363 1.035889
265.0184 4.082275
265.5005 6.080078
265.9827 3.963013
266.4648 1.637451
266.9469 0.3043210
267.4290 1.6357001E-02
267.9111 1.068970
268.3932 3.234985
268.8754 5.724487
269.3575 7.774780
269.8396 9.464355
270.3217 10.45349
270.8038 10.18079
271.2859 8.805786
271.7681 9.802246
272.2502 14.21484
272.7323 18.84399
273.2144 19.86963
273.6965 16.53149
274.1786 13.74915
274.6608 12.36121
275.1429 12.37292
275.6250 14.37769
276.1071 19.17676
276.5892 23.69702
277.0714 24.39722
277.5535 20.75269
278.0356 18.41846
278.5177 18.85400
278.9998 21.29724
279.4819 22.56604
279.9641 22.52991
280.4462 22.00610
280.9283 21.89832
281.4104 22.26025
281.8925 21.18762
282.3746 17.65479
282.8568 13.06775
283.3389 11.50537
283.8210 13.15588
284.3031 16.31189
284.7852 20.81860
285.2673 26.43225
285.7495 29.11243
286.2316 27.07727
286.7137 23.66809
287.1958 27.49634
287.6779 38.83044
288.1600 48.55347
288.6422 49.24817
289.1243 42.36365
289.6064 38.57861
290.0885 39.19751
290.5706 41.98792
291.0527 43.93396
291.5349 45.03784
292.0170 45.16418
292.4991 43.47803
292.9812 40.64758
293.4633 39.18066
293.9454 39.33936
294.4276 40.32544
294.9097 41.26904
295.3918 42.17834
295.8739 43.04907
296.3560 43.97144
296.8381 44.83118
297.3203 45.19946
297.8024 45.00525
298.2845 44.78162
298.7666 45.17358
299.2487 45.99683
299.7308 46.73975
300.2130 47.50720
300.6951 47.94324
301.1772 46.84167
301.6593 44.21863
302.1414 42.42505
302.6235 44.17297
303.1057 48.24036
303.5878 52.14453
304.0699 55.62610
304.5520 58.16528
305.0341 58.78101
305.5162 57.64832
305.9984 56.23596
306.4805 55.30542
306.9626 54.81836
307.4447 54.94470
307.9268 56.95288
308.4089 57.88379
308.8911 53.76135
309.3732 45.97034
309.8553 39.29980
310.3374 35.99194
310.8195 35.05652
311.3016 35.84802
311.7838 38.93616
312.2659 41.95691
312.7480 43.32654
313.2301 43.41357
313.7122 43.06348
314.1943 42.67493
314.6765 42.01013
315.1586 40.68921
315.6407 38.31970
316.1228 36.32532
316.6049 34.69983
317.0870 34.20056
317.5692 35.97571
318.0513 44.24988
318.5334 51.58533
319.0155 53.60059
319.4976 49.10059
319.9797 44.37451
320.4619 41.86670
320.9440 40.69495
321.4261 39.88940
321.9082 37.85645
322.3903 36.29492
322.8724 35.79883
323.3546 36.78223
323.8367 38.08826
324.3188 39.85303
324.8009 40.95630
325.2830 40.49011
325.7651 36.99487
326.2473 34.09583
326.7294 32.90015
327.2115 33.16345
327.6936 32.69385
328.1757 30.32739
328.6578 28.07690
329.1400 26.91614
329.6221 27.65503
330.1042 27.89172
330.5863 27.59863
331.0684 26.98181
331.5505 26.04944
332.0327 24.06824
332.5148 22.58655
332.9969 22.25964
333.4790 23.42261
333.9611 24.71765
334.4432 26.05042
334.9254 27.56421
335.4075 29.60791
335.8896 32.76355
336.3717 35.34290
336.8538 36.86865
337.3359 37.35803
337.8180 36.50659
338.3001 33.30688
338.7823 30.32935
339.2644 31.05103
339.7465 36.51123
340.2286 41.13281
340.7107 43.30139
341.1928 43.45178
341.6750 44.39539
342.1571 46.28796
342.6392 48.41858
343.1213 50.34241
343.6034 52.02820
344.0855 53.28809
344.5677 53.93787
345.0498 54.25415
345.5319 55.08337
346.0140 56.45776
346.4961 57.38013
346.9782 57.12463
347.4604 55.85437
347.9425 54.05627
348.4246 51.53345
348.9067 49.25867
349.3888 48.78821
349.8709 49.91467
350.3531 51.43567
350.8352 53.02979
351.3173 54.55200
351.7994 56.06152
352.2815 57.64136
352.7636 58.11646
353.2458 55.38281
353.7279 50.69543
354.2100 46.75928
354.6921 44.46643
355.1742 43.49097
355.6563 43.68286
356.1385 44.98792
356.6206 46.90857
357.1027 51.34338
357.5848 55.36572
358.0669 55.20032
358.5490 47.13843
359.0312 38.69775
359.5133 34.32068
359.9954 33.35986
360.4775 33.72156
360.9596 36.15295
361.4417 38.40747
361.9239 38.46948
362.4060 34.76404
362.8881 32.57910
363.3702 36.44482
363.8523 42.59387
364.3344 45.25061
364.8166 39.26379
365.2987 32.64441
365.7808 28.05176
366.2629 25.58496
366.7450 25.28271
367.2271 29.68726
367.7093 35.04028
368.1914 38.03809
368.6735 35.74060
369.1556 34.04578
369.6377 33.99304
370.1198 35.38879
370.6020 36.61584
371.0841 38.38257
371.5662 39.32520
372.0483 38.51550
372.5304 34.12476
373.0125 31.62061
373.4947 32.85156
373.9768 35.42822
374.4589 33.15576
374.9410 23.31726
375.4231 14.19763
375.9052 9.255981
376.3874 9.134155
376.8695 8.010376
377.3516 5.594727
377.8337 2.664917
378.3158 8.9478001E-02
378.7979 2.111694
379.2801 4.030884
379.7622 5.215576
380.2443 6.191895
380.7264 10.66992
381.2085 19.37622
381.6906 26.31335
382.1728 24.79663
382.6549 16.21619
383.1370 9.542969
383.6191 6.391235
384.1012 5.521606
384.5833 5.167725
385.0655 5.310303
385.5476 5.780396
386.0297 7.467285
386.5118 9.175781
386.9939 8.219238
387.4760 4.045532
387.9582 0.4123540
388.4403 2.257324
388.9224 2.385498
389.4045 2.652100
389.8866 3.364014
390.3687 4.876221
390.8509 7.605713
391.3330 11.48181
391.8151 15.95703
392.2972 21.80798
392.7793 27.54211
393.2614 31.56860
393.7436 31.58154
394.2257 32.44409
394.7078 37.11609
395.1899 44.27563
395.6720 50.45142
396.1541 54.38586
396.6363 57.23486
397.1184 59.25232
397.6005 59.92249
398.0826 61.52612
398.5647 64.34729
399.0468 68.30994
399.5290 73.32520
400.0111 83.03918
400.4932 89.82983
400.9753 91.46094
401.4574 87.95081
401.9395 85.26221
402.4217 82.64526
402.9038 81.58398
403.3859 83.58643
403.8680 91.08459
404.3501 95.69446
404.8322 95.97095
405.3144 93.39319
405.7965 91.68530
406.2786 90.85620
406.7607 90.83569
407.2428 91.98511
407.7249 94.37500
408.2071 95.49194
408.6892 95.02844
409.1713 94.21082
409.6534 94.10010
410.1355 94.75012
410.6176 97.40002
411.0998 103.5946
411.5819 111.2853
412.0640 115.0497
412.5461 114.9869
413.0282 114.5162
413.5103 115.5562
413.9925 118.1311
414.4746 122.7660
414.9567 130.1987
415.4388 137.7963
415.9209 142.3948
416.4030 145.0133
416.8852 148.3306
417.3673 155.3979
417.8494 162.5403
418.3315 165.9974
418.8136 165.4736
419.2957 165.6187
419.7779 169.6488
420.2600 175.3719
420.7421 180.5179
421.2242 184.1270
421.7063 187.4545
422.1884 190.7313
422.6706 194.0426
423.1527 197.8427
423.6348 202.4775
424.1169 207.4000
424.5990 212.1974
425.0811 215.8110
425.5633 221.6749
426.0454 231.5959
426.5275 243.0712
427.0096 253.1135
427.4917 261.2260
427.9738 268.5204
428.4560 274.9460
428.9381 280.6075
429.4202 286.6240
429.9023 292.8604
430.3844 299.5243
430.8665 306.9438
431.3487 315.3878
431.8308 322.7854
432.3129 328.7062
432.7950 333.7874
433.2771 339.0168
433.7592 344.3197
434.2414 350.1584
434.7235 357.9001
435.2056 366.4836
435.6877 371.1143
436.1698 371.5040
436.6519 370.4886
437.1341 371.2367
437.6162 372.8741
438.0983 373.0494
438.5804 370.8126
439.0625 366.6097
439.5446 360.9265
440.0268 354.4387
440.5089 348.1819
440.9910 342.4906
441.4731 336.8354
441.9552 331.1144
442.4373 325.6716
442.9195 318.3400
443.4016 306.8612
443.8837 293.1965
444.3658 279.7957
444.8479 268.2845
445.3300 256.6958
445.8122 243.1550
446.2943 228.0635
446.7764 215.6615
447.2585 210.0759
447.7406 204.6360
448.2227 195.7084
448.7049 180.2708
449.1870 167.2695
449.6691 157.5421
450.1512 149.8953
450.6333 142.8463
451.1154 136.9066
451.5976 130.2854
452.0797 122.1799
452.5618 112.7439
453.0439 104.8873
453.5260 99.04114
454.0081 93.87024
454.4903 88.06494
454.9724 81.69812
455.4545 76.74280
455.9366 73.49951
456.4187 71.72876
456.9008 71.43823
457.3830 72.50110
457.8651 73.93359
458.3472 77.00537
458.8293 79.61865
459.3114 76.20837
459.7935 66.86877
460.2757 59.12085
460.7578 60.89172
461.2399 67.50708
461.7220 72.41772
462.2041 73.28882
462.6862 73.22815
463.1684 73.94788
463.6505 75.26587
464.1326 76.75903
464.6147 77.21838
465.0968 78.65198
465.5789 82.61462
466.0611 89.63171
466.5432 95.67297
467.0253 99.24768
467.5074 101.8195
467.9895 104.5953
468.4716 108.2804
468.9538 111.3533
469.4359 112.8654
469.9180 113.6946
470.4001 117.1166
470.8822 125.3997
471.3643 132.2255
471.8465 134.5336
472.3286 131.7914
472.8107 130.6040
473.2928 131.5859
473.7749 132.7264
474.2570 131.8148
474.7392 128.8713
475.2213 125.2035
475.7034 121.4193
476.1855 116.6853
476.6676 108.1898
477.1497 96.33325
477.6319 85.38037
478.1140 78.04736
478.5961 73.09387
479.0782 68.75696
479.5603 64.97266
480.0424 61.21021
480.5246 58.11902
481.0067 54.74402
481.4888 49.47302
481.9709 38.73889
482.4530 28.87634
482.9352 24.34387
483.4173 23.79395
483.8994 22.66040
484.3815 17.44263
484.8636 12.77100
485.3457 11.35889
485.8279 14.62402
486.3100 16.84961
486.7921 16.05713
487.2742 14.30481
487.7563 13.41565
488.2384 13.20715
488.7206 14.11670
489.2027 17.08118
489.6848 21.36145
490.1669 23.19324
490.6490 21.49707
491.1311 19.80042
491.6133 19.83765
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1301.087 3.289429
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1302.533 0.5074460
1303.016 0.0000000E+00
