#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:59:48 +0300 (Thu, 24 May 2018) $
#$Revision: 851 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000338.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_1000338
loop_
_publ_author_name
'Kampf, A. R.'
'Moore, P. B.'
_publ_section_title
;
 The crystal structure of bermanite, a hydrated manganese phosphate
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1241
_journal_page_last               1248
_journal_volume                  61
_journal_year                    1976
_chemical_compound_source        R130057
_chemical_formula_sum            'H10 Mn3 O14 P2'
_chemical_name_mineral           Bermanite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.3
_cell_angle_gamma                90
_cell_length_a                   5.446
_cell_length_b                   19.250
_cell_length_c                   5.428
_cell_volume                     533.703
_exptl_crystal_density_diffrn    2.868
_cod_original_formula_sum        'Mn3 P2 O14 H10'
_cod_database_code               9000533
_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            R130057.rod
_rod_data_source.block           3500000
_rod_database.code               1000338
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 9000533 COD http://www.crystallography.net/cod/9000533.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
188.6777 0.0000000E+00
189.1598 6.7413002E-02
189.6419 0.7214660
190.1240 2.101974
190.6061 3.952827
191.0883 5.717255
191.5704 6.733551
192.0525 7.112640
192.5346 8.196991
193.0167 10.49387
193.4988 13.34182
193.9810 14.53593
194.4631 13.83343
194.9452 12.91658
195.4273 12.70892
195.9094 13.18087
196.3915 13.65407
196.8737 14.06363
197.3558 14.35789
197.8379 14.36400
198.3200 14.08298
198.8021 13.62479
199.2842 13.01422
199.7664 12.21018
200.2485 11.58287
200.7306 11.22134
201.2127 11.09679
201.6948 11.13638
202.1769 11.45726
202.6591 11.60375
203.1412 10.95498
203.6233 9.351883
204.1054 8.170006
204.5875 7.783081
205.0696 8.105209
205.5518 8.385468
206.0339 8.554260
206.5160 9.106842
206.9981 10.57698
207.4802 12.46252
207.9623 13.86953
208.4445 14.80378
208.9266 15.34186
209.4087 15.56145
209.8908 15.37467
210.3729 15.12544
210.8550 15.49578
211.3372 16.72704
211.8193 17.84103
212.3014 18.64935
212.7835 19.14829
213.2656 19.28479
213.7477 19.00182
214.2299 18.44157
214.7120 17.76072
215.1941 16.94193
215.6762 16.03228
216.1583 15.00381
216.6404 13.85389
217.1226 12.77661
217.6047 11.77957
218.0868 10.84026
218.5689 9.934090
219.0510 9.088966
219.5331 8.203224
220.0153 7.239578
220.4974 6.190880
220.9795 5.093636
221.4616 3.848488
221.9437 2.650726
222.4258 1.773849
222.9080 1.441467
223.3901 0.9506380
223.8722 4.6839998E-03
224.3543 1.525459
224.8364 2.460487
225.3185 2.624657
225.8007 2.357056
226.2828 2.038368
226.7649 1.580528
227.2470 1.262253
227.7291 1.218781
228.2112 1.510315
228.6934 1.609215
229.1755 1.446312
229.6576 1.154686
230.1397 0.9255220
230.6218 0.8654250
231.1039 0.6604000
231.5861 0.1946490
232.0682 0.5906300
232.5503 1.291000
233.0324 1.936569
233.5145 2.477135
233.9966 2.829758
234.4788 2.860840
234.9609 2.945267
235.4430 3.199440
235.9251 3.656166
236.4072 4.053757
236.8893 4.437805
237.3715 4.726921
237.8536 4.795853
238.3357 4.498985
238.8178 4.228714
239.2999 4.032333
239.7820 3.877518
240.2642 4.074867
240.7463 4.856430
241.2284 5.790298
241.7105 6.317375
242.1926 6.158798
242.6747 6.098175
243.1569 6.365280
243.6390 7.016884
244.1211 7.506485
244.6032 7.682343
245.0853 7.833649
245.5674 8.334091
246.0496 9.447029
246.5317 10.36829
247.0138 10.97107
247.4959 11.22451
247.9780 11.51147
248.4601 11.73685
248.9423 12.08981
249.4244 12.81815
249.9065 14.14040
250.3886 15.40869
250.8707 16.47004
251.3528 17.30579
251.8350 18.17345
252.3171 19.00273
252.7992 19.92696
253.2813 21.12601
253.7634 22.77281
254.2455 24.28220
254.7277 25.47678
255.2098 26.35168
255.6919 27.44612
256.1740 28.95819
256.6561 30.43671
257.1382 31.40723
257.6204 31.70512
258.1025 31.90067
258.5846 32.04353
259.0667 32.14256
259.5488 32.41191
260.0309 32.91203
260.5131 33.48887
260.9952 33.98635
261.4773 34.34814
261.9594 34.80332
262.4415 35.39740
262.9236 36.12599
263.4058 36.92912
263.8879 37.94695
264.3700 38.81711
264.8521 39.16375
265.3342 38.72946
265.8163 38.66035
266.2985 39.24379
266.7806 40.33734
267.2627 41.22412
267.7448 42.01099
268.2269 42.35098
268.7090 41.78630
269.1912 39.97413
269.6733 38.75721
270.1554 38.60473
270.6375 39.14717
271.1196 38.87341
271.6017 37.61003
272.0839 36.01303
272.5660 34.50038
273.0481 33.06629
273.5302 31.73279
274.0123 30.56002
274.4944 29.43971
274.9766 27.97646
275.4587 26.08501
275.9408 24.20049
276.4229 22.68739
276.9050 21.58149
277.3871 20.28138
277.8693 18.68306
278.3514 16.94021
278.8335 15.34845
279.3156 13.87643
279.7977 12.64966
280.2798 11.83903
280.7620 11.45462
281.2441 10.86605
281.7262 9.966423
282.2083 8.903313
282.6904 8.076080
283.1725 7.536644
283.6547 7.056847
284.1368 6.473610
284.6189 5.819145
285.1010 5.404816
285.5831 5.290756
286.0652 5.203529
286.5474 4.697472
287.0295 3.794807
287.5116 2.995651
287.9937 2.562469
288.4758 2.423294
288.9579 2.202751
289.4401 1.880905
289.9222 1.613731
290.4043 1.662262
290.8864 1.983063
291.3685 2.218575
291.8506 2.119041
292.3328 1.846344
292.8149 1.946648
293.2970 2.445778
293.7791 2.991798
294.2612 3.126259
294.7433 2.967705
295.2255 2.992836
295.7076 3.416023
296.1897 4.088470
296.6718 4.713081
297.1539 5.289932
297.6360 5.920540
298.1182 6.740494
298.6003 7.678741
299.0824 8.561966
299.5645 9.276764
300.0466 9.990540
300.5287 10.90336
301.0109 12.01242
301.4930 13.34133
301.9751 14.98087
302.4572 16.83324
302.9393 18.68925
303.4214 20.49174
303.9036 22.35036
304.3857 24.47414
304.8678 26.78123
305.3499 29.01830
305.8320 30.75311
306.3141 32.42223
306.7963 34.54322
307.2784 37.29140
307.7605 40.29865
308.2426 43.31552
308.7247 46.36394
309.2068 49.49687
309.6890 52.65748
310.1711 55.96726
310.6532 59.51738
311.1353 63.32657
311.6174 67.27983
312.0995 71.33875
312.5817 75.43441
313.0638 79.50804
313.5459 83.57325
314.0280 87.62801
314.5101 91.70708
314.9922 95.79470
315.4744 99.82394
315.9565 103.6465
316.4386 107.4233
316.9207 111.2963
317.4028 115.4371
317.8849 119.5775
318.3671 123.6662
318.8492 127.7278
319.3313 131.5276
319.8134 135.0918
320.2955 138.3405
320.7776 141.1773
321.2598 143.3353
321.7419 145.3294
322.2240 147.2734
322.7061 149.1583
323.1882 150.8882
323.6703 152.9521
324.1525 154.4870
324.6346 154.9922
325.1167 153.9902
325.5988 152.6055
326.0809 150.5853
326.5630 148.2137
327.0452 146.2769
327.5273 145.6238
328.0094 144.7156
328.4915 142.9439
328.9736 139.8127
329.4557 137.0635
329.9379 134.9330
330.4200 133.1021
330.9021 131.0880
331.3842 128.7151
331.8663 126.3679
332.3484 124.1486
332.8306 122.1303
333.3127 120.0077
333.7948 117.6863
334.2769 115.3333
334.7590 113.1503
335.2411 111.1172
335.7233 109.2859
336.2054 107.8341
336.6875 106.6972
337.1696 104.9448
337.6517 102.3627
338.1339 99.59364
338.6160 97.21805
339.0981 95.30724
339.5802 93.39490
340.0623 91.52395
340.5444 89.55373
341.0266 86.99540
341.5087 83.66135
341.9908 80.45467
342.4729 78.12282
342.9550 76.67657
343.4371 74.51853
343.9193 71.34226
344.4014 67.77945
344.8835 65.10938
345.3656 63.32570
345.8477 61.56383
346.3298 59.38707
346.8120 56.86238
347.2941 54.33168
347.7762 51.76092
348.2583 49.29015
348.7404 47.13750
349.2225 45.24088
349.7047 43.33096
350.1868 41.27116
350.6689 39.15755
351.1510 37.08264
351.6331 35.05724
352.1152 33.17403
352.5974 31.55352
353.0795 30.12331
353.5616 28.76357
354.0437 27.50204
354.5258 26.22478
355.0079 24.75134
355.4901 23.13007
355.9722 21.54839
356.4543 20.09443
356.9364 18.75592
357.4185 17.52005
357.9006 16.42403
358.3828 15.33159
358.8649 13.97658
359.3470 12.56001
359.8291 11.47426
360.3112 11.35447
360.7933 11.26958
361.2755 10.56300
361.7576 9.073372
362.2397 7.712952
362.7218 6.921471
363.2039 6.407715
363.6860 5.846809
364.1682 5.158493
364.6503 4.399429
365.1324 3.512764
365.6145 2.505219
366.0966 1.721039
366.5787 1.360741
367.0609 1.151573
367.5430 0.9188610
368.0251 0.6191480
368.5072 0.3272170
368.9893 4.8508000E-02
369.4714 0.2166900
369.9536 0.4542390
370.4357 0.6197970
370.9178 0.8061680
371.3999 1.060844
371.8820 1.453003
372.3641 1.734268
372.8463 1.839828
373.3284 1.874153
373.8105 2.025452
374.2926 2.400276
374.7747 2.650780
375.2568 2.643944
375.7390 2.376732
376.2211 2.183044
376.7032 2.063950
377.1853 2.015320
377.6674 2.083656
378.1495 2.298790
378.6317 2.350372
379.1138 2.120697
379.5959 1.724770
380.0780 1.544693
380.5601 1.600624
381.0422 1.650513
381.5244 1.461639
382.0065 1.094521
382.4886 0.9268340
382.9707 1.038460
383.4528 1.227600
383.9349 1.251068
384.4171 1.110977
384.8992 0.8322070
385.3813 0.2862010
385.8634 0.3496170
386.3455 0.7627490
386.8276 0.9359890
387.3098 1.027138
387.7919 1.190033
388.2740 1.362793
388.7561 1.425812
389.2382 1.177017
389.7203 0.9610290
390.2025 1.164734
390.6846 1.696716
391.1667 2.132698
391.6488 2.068680
392.1309 1.893150
392.6130 1.975716
393.0952 2.563362
393.5773 3.021606
394.0594 2.863586
394.5415 2.409668
395.0236 2.254242
395.5057 2.917145
395.9879 3.616493
396.4700 3.968102
396.9521 3.856689
397.4342 3.985100
397.9163 4.583794
398.3984 5.411766
398.8806 6.248985
399.3627 7.290413
399.8448 8.096107
400.3269 8.507317
400.8090 8.588577
401.2911 8.795288
401.7733 9.000740
402.2554 9.479485
402.7375 10.43098
403.2196 12.13072
403.7017 13.60535
404.1838 14.74497
404.6660 15.72198
405.1481 16.85741
405.6302 18.21748
406.1123 19.51392
406.5944 20.62308
407.0765 21.55917
407.5587 22.49184
408.0408 23.39099
408.5229 24.41433
409.0050 25.83852
409.4871 27.62092
409.9692 29.23051
410.4514 30.54719
410.9335 31.64388
411.4156 32.61881
411.8977 33.47367
412.3798 34.33690
412.8619 35.47262
413.3441 36.63277
413.8262 37.29191
414.3083 37.33638
414.7904 37.16315
415.2725 37.16465
415.7546 37.23919
416.2368 37.17436
416.7189 36.97188
417.2010 36.52615
417.6831 35.59595
418.1652 34.22456
418.6473 32.97303
419.1295 32.36177
419.6116 31.90922
420.0937 31.17834
420.5758 29.75289
421.0579 28.47540
421.5400 27.67431
422.0222 27.21434
422.5043 26.73774
422.9864 25.88761
423.4685 25.25710
423.9506 25.17605
424.4327 25.93828
424.9149 26.31394
425.3970 25.87159
425.8791 25.23212
426.3612 25.00856
426.8433 25.40421
427.3254 25.88087
427.8076 26.35502
428.2897 26.84902
428.7718 27.47487
429.2539 28.25955
429.7360 29.07658
430.2181 29.89502
430.7003 30.75741
431.1824 31.35489
431.6645 31.53377
432.1466 31.64767
432.6287 32.37858
433.1108 33.74550
433.5930 35.22982
434.0751 36.63374
434.5572 37.98951
435.0393 39.42086
435.5214 40.91651
436.0035 42.42200
436.4857 43.74157
436.9678 45.04904
437.4499 46.82427
437.9320 49.30770
438.4141 51.95573
438.8962 54.08620
439.3784 55.89926
439.8605 57.95081
440.3426 60.68680
440.8247 63.64580
441.3068 66.52315
441.7889 69.27587
442.2711 71.96319
442.7532 74.45263
443.2353 76.97520
443.7174 79.75178
444.1995 82.97668
444.6816 86.26566
445.1638 89.49397
445.6459 92.68311
446.1280 96.07382
446.6101 100.0519
447.0922 103.9442
447.5743 107.4685
448.0565 110.4845
448.5386 113.4016
449.0207 116.1366
449.5028 118.8098
449.9849 121.5510
450.4670 124.4942
450.9492 127.2437
451.4313 129.6240
451.9134 131.7100
452.3955 134.1433
452.8776 137.1175
453.3597 139.6327
453.8419 140.7943
454.3240 140.6290
454.8061 140.6209
455.2882 141.0080
455.7703 141.2823
456.2524 140.4615
456.7346 138.6943
457.2167 137.0747
457.6988 136.3135
458.1809 135.8571
458.6630 134.6496
459.1451 132.7365
459.6273 130.6972
460.1094 128.8508
460.5915 127.2024
461.0736 125.7614
461.5557 124.5048
462.0378 123.4746
462.5200 122.7638
463.0021 122.2895
463.4842 121.9066
463.9663 121.2999
464.4484 120.9959
464.9305 121.2637
465.4127 122.1258
465.8948 123.3375
466.3769 125.0284
466.8590 126.9489
467.3411 128.9313
467.8232 130.7567
468.3054 132.8803
468.7875 135.4373
469.2696 138.2937
469.7517 141.1492
470.2338 144.2081
470.7159 146.8286
471.1981 148.7173
471.6802 149.8181
472.1623 150.7798
472.6444 151.7025
473.1265 152.3391
473.6086 152.3967
474.0908 151.8285
474.5729 150.6478
475.0550 148.7766
475.5371 146.4545
476.0192 144.1002
476.5013 141.6968
476.9835 139.1432
477.4656 136.2410
477.9477 133.1348
478.4298 130.0091
478.9119 126.8607
479.3940 123.8488
479.8762 121.0889
480.3583 118.5943
480.8404 116.3520
481.3225 114.2953
481.8046 112.5087
482.2867 111.0919
482.7689 109.9853
483.2510 109.0334
483.7331 108.2976
484.2152 107.6003
484.6973 106.9023
485.1794 106.2288
485.6616 105.4766
486.1437 104.7685
486.6258 103.9003
487.1079 102.6892
487.5900 100.9468
488.0721 99.18056
488.5543 97.48266
489.0364 95.77402
489.5185 93.85485
490.0006 91.74598
490.4827 89.40064
490.9648 86.80138
491.4470 83.94417
491.9291 80.95177
492.4112 77.83188
492.8933 74.61455
493.3754 71.30759
493.8575 67.92159
494.3397 64.51682
494.8218 61.07906
495.3039 57.74816
495.7860 54.71978
496.2681 51.99796
496.7502 49.60565
497.2324 47.78975
497.7145 46.13133
498.1966 44.16956
498.6787 41.86124
499.1608 39.70833
499.6429 37.94572
500.1251 36.45617
500.6072 35.08352
501.0893 33.74103
501.5714 32.60975
502.0535 31.78362
502.5356 31.18680
503.0178 30.64088
503.4999 30.23607
503.9820 29.75599
504.4641 29.14660
504.9462 28.40644
505.4283 27.61221
505.9105 26.72011
506.3926 25.85474
506.8747 25.17726
507.3568 24.76115
507.8389 24.01909
508.3210 22.82919
508.8032 21.43924
509.2853 20.27726
509.7674 19.33242
510.2495 18.43588
510.7316 17.45559
511.2137 16.49308
511.6959 15.83697
512.1780 15.46619
512.6601 15.03492
513.1422 14.23831
513.6243 13.25380
514.1064 12.31750
514.5886 11.49595
515.0707 10.63273
515.5528 9.463833
516.0349 8.238693
516.5170 7.297173
516.9991 7.031467
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1301.885 0.0000000E+00
