#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 14:02:17 +0300 (Thu, 26 Apr 2018) $
#$Revision: 620 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000157.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_1000157
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 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            R130057.rod
_rod_data_source.block           3500000
_rod_database.code               1000157
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
100.3598 0.0000000E+00
100.8419 0.3701480
101.3240 2.6923999E-02
101.8061 0.1690670
102.2883 9.4573997E-02
102.7704 0.6625290
103.2525 1.423836
103.7346 2.324524
104.2167 3.503777
104.6988 5.287468
105.1810 7.346695
105.6631 9.172455
106.1452 10.41943
106.6273 11.22951
107.1094 12.19668
107.5915 13.21007
108.0737 14.54035
108.5558 16.32585
109.0379 18.49790
109.5200 20.86726
110.0021 23.23395
110.4842 25.50916
110.9664 28.20315
111.4485 31.39854
111.9306 34.89105
112.4127 38.72131
112.8948 42.81808
113.3769 47.00269
113.8591 50.98396
114.3412 54.71715
114.8233 58.34546
115.3054 61.94115
115.7875 65.42869
116.2696 68.72377
116.7517 71.81196
117.2339 74.76244
117.7160 77.75037
118.1981 81.00412
118.6802 83.85473
119.1623 86.20741
119.6444 88.00744
120.1266 89.15512
120.6087 89.70696
121.0908 89.40347
121.5729 88.15097
122.0550 85.83257
122.5371 82.78345
123.0193 79.17067
123.5014 74.93436
123.9835 70.60787
124.4656 66.27872
124.9477 62.07982
125.4298 58.15358
125.9120 54.63378
126.3941 51.37160
126.8762 48.09600
127.3583 44.53471
127.8404 41.57534
128.3225 39.50272
128.8047 38.00523
129.2868 36.77522
129.7689 35.74287
130.2510 34.79463
130.7331 33.63628
131.2152 32.31856
131.6974 31.06301
132.1795 29.83588
132.6616 28.59554
133.1437 27.39002
133.6258 26.17030
134.1079 24.94407
134.5901 23.72755
135.0722 22.55671
135.5543 21.37571
136.0364 20.06180
136.5185 18.60723
137.0006 17.21943
137.4828 16.05677
137.9649 15.14666
138.4470 14.22047
138.9291 13.34656
139.4112 12.46431
139.8933 11.43947
140.3755 10.20796
140.8576 9.051128
141.3397 8.399933
141.8218 8.196541
142.3039 8.036976
142.7860 7.745121
143.2681 7.369335
143.7503 7.081470
144.2324 6.990871
144.7145 6.912758
145.1966 6.645695
145.6787 6.189125
146.1608 5.735455
146.6430 5.456314
147.1251 5.367477
147.6072 5.294235
148.0893 5.224430
148.5714 5.152039
149.0535 5.083984
149.5357 5.022015
150.0178 4.940971
150.4999 4.780800
150.9820 4.429485
151.4641 4.251331
151.9462 4.423363
152.4284 4.664902
152.9105 4.786720
153.3926 4.713188
153.8747 4.453049
154.3568 4.017925
154.8389 3.069599
155.3211 2.357094
155.8032 2.066494
156.2853 1.982277
156.7674 1.871601
157.2495 1.622124
157.7316 1.244015
158.2138 0.9372330
158.6959 0.3027570
159.1780 0.1646580
159.6601 0.2626040
160.1422 9.1759004E-02
160.6243 0.1398770
161.1065 0.3632280
161.5886 0.5202480
162.0707 0.4208030
162.5528 0.1081850
163.0349 0.7014390
163.5170 1.179234
163.9991 1.546486
164.4813 1.833145
164.9634 2.069786
165.4455 2.222382
165.9276 2.229904
166.4097 1.993851
166.8918 1.683899
167.3740 1.489567
167.8561 1.426594
168.3382 1.404362
168.8203 1.391109
169.3024 1.381317
169.7845 1.372555
170.2667 1.377403
170.7488 1.373688
171.2309 1.298634
171.7130 1.100685
172.1951 0.9250950
172.6772 0.8737490
173.1594 0.8703540
173.6415 0.8036080
174.1236 0.5968170
174.6057 0.2743490
175.0878 1.8371999E-02
175.5699 0.2871930
176.0521 0.5137020
176.5342 0.6536100
177.0163 0.7509570
177.4984 0.8762130
177.9805 1.078030
178.4626 1.356747
178.9448 1.694046
179.4269 2.204636
179.9090 2.661800
180.3911 2.977478
180.8732 3.177273
181.3553 3.331932
181.8375 3.493690
182.3196 3.656670
182.8017 3.897930
183.2838 4.274918
183.7659 4.659073
184.2480 5.002930
184.7301 5.298111
185.2123 5.537193
185.6944 5.691635
186.1765 5.741856
186.6586 5.934147
187.1407 6.409904
187.6228 6.919926
188.1050 7.265930
188.5871 7.429981
189.0692 7.553337
189.5513 7.773216
190.0334 8.086304
190.5155 8.372421
190.9977 8.591900
191.4798 8.790504
191.9619 9.026817
192.4440 9.314373
192.9261 9.606003
193.4082 9.895935
193.8904 10.16810
194.3725 10.33004
194.8546 10.27649
195.3367 10.10665
195.8188 10.00945
196.3009 10.00216
196.7831 10.06863
197.2652 10.22479
197.7473 10.44244
198.2294 10.64498
198.7115 10.81047
199.1936 10.93757
199.6758 10.99115
200.1579 10.85884
200.6400 10.81852
201.1221 11.03461
201.6042 11.44756
202.0863 11.90813
202.5685 12.33024
203.0506 12.71424
203.5327 13.06123
204.0148 13.30888
204.4969 13.58423
204.9790 13.90657
205.4612 14.28997
205.9433 14.76543
206.4254 15.38559
206.9075 16.16286
207.3896 16.83779
207.8717 17.32728
208.3539 17.78300
208.8360 18.31776
209.3181 18.86952
209.8002 19.26830
210.2823 19.33506
210.7644 19.01967
211.2466 18.80515
211.7287 18.78053
212.2108 18.75961
212.6929 18.70264
213.1750 18.58753
213.6571 18.38364
214.1393 18.05413
214.6214 17.57803
215.1035 17.10731
215.5856 16.68872
216.0677 16.22591
216.5498 15.64402
217.0320 14.94751
217.5141 14.19266
217.9962 13.40709
218.4783 12.57711
218.9604 11.97476
219.4425 11.65406
219.9247 11.46401
220.4068 11.35861
220.8889 11.30121
221.3710 11.18051
221.8531 10.89090
222.3352 10.42466
222.8174 9.987312
223.2995 9.616383
223.7816 9.264000
224.2637 8.894051
224.7458 8.510635
225.2279 8.159885
225.7100 7.887386
226.1922 7.682590
226.6743 7.458969
227.1564 7.159370
227.6385 6.878494
228.1206 6.728519
228.6027 6.713863
229.0849 6.683182
229.5670 6.503609
230.0491 6.231655
230.5312 6.015312
231.0133 5.975388
231.4954 5.946766
231.9776 5.710583
232.4597 5.243515
232.9418 4.801418
233.4239 4.620453
233.9060 4.548058
234.3881 4.340214
234.8703 3.844887
235.3524 3.263012
235.8345 2.831448
236.3166 2.537346
236.7987 2.446999
237.2808 2.787640
237.7630 3.292339
238.2451 3.677734
238.7272 3.847244
239.2093 3.872776
239.6914 3.807880
240.1735 3.567280
240.6557 3.518974
241.1378 4.047165
241.6199 4.727482
242.1020 5.090816
242.5841 4.900192
243.0662 4.570862
243.5484 4.896912
244.0305 6.177391
244.5126 7.296032
244.9947 7.894585
245.4768 8.242561
245.9589 8.526638
246.4410 8.805302
246.9232 9.090004
247.4053 9.411816
247.8874 9.791042
248.3695 10.15827
248.8516 10.58599
249.3337 10.95007
249.8159 11.10872
250.2980 11.02623
250.7801 10.85419
251.2622 10.87062
251.7443 11.22384
252.2264 11.42347
252.7086 11.27980
253.1907 11.08496
253.6728 11.06854
254.1549 11.27956
254.6370 11.57563
255.1191 11.72581
255.6013 11.60598
256.0834 11.60902
256.5655 11.74300
257.0476 11.97424
257.5297 12.32183
258.0118 12.76907
258.4940 13.23597
258.9761 13.59959
259.4582 13.76060
259.9403 14.07864
260.4224 14.61502
260.9045 15.22811
261.3867 15.89904
261.8688 16.58903
262.3509 17.17926
262.8330 17.51627
263.3151 17.49327
263.7972 17.60338
264.2794 17.89894
264.7615 18.25412
265.2436 18.63124
265.7257 19.00893
266.2078 19.36541
266.6899 19.69371
267.1721 20.01831
267.6542 20.11430
268.1363 19.84732
268.6184 19.52539
269.1005 19.36749
269.5826 19.31448
270.0648 19.11346
270.5469 18.53615
271.0290 17.56991
271.5111 16.68629
271.9932 16.02578
272.4753 15.29501
272.9575 14.32574
273.4396 13.17745
273.9217 12.02665
274.4038 10.98956
274.8859 10.05712
275.3680 9.143742
275.8501 8.252304
276.3322 7.369118
276.8144 6.493023
277.2965 5.617523
277.7786 4.700344
278.2607 3.686535
278.7428 2.658588
279.2249 1.994736
279.7071 1.955116
280.1892 1.891075
280.6713 1.602524
281.1534 1.185799
281.6355 0.8080020
282.1176 0.5406800
282.5998 0.3531800
283.0819 0.1838070
283.5640 7.3380001E-02
284.0461 9.5692001E-02
284.5282 0.4656750
285.0103 0.8781970
285.4925 1.074249
285.9746 0.9551700
286.4567 0.6827740
286.9388 0.5311280
287.4209 0.5463830
287.9030 0.5149420
288.3852 0.4135360
288.8673 0.2443700
289.3494 1.0609000E-02
289.8315 0.2868840
290.3136 0.6473120
290.7957 1.072849
291.2779 1.560413
291.7600 2.145107
292.2421 2.956291
292.7242 3.795448
293.2063 4.437729
293.6884 4.859909
294.1706 5.242310
294.6527 5.718575
295.1348 6.303734
295.6169 7.044453
296.0990 8.007767
296.5811 9.080486
297.0633 10.20749
297.5454 11.37441
298.0275 12.53349
298.5096 13.62655
298.9917 14.68301
299.4738 15.86298
299.9560 17.12772
300.4381 18.53602
300.9202 20.18858
301.4023 22.04322
301.8844 23.92075
302.3665 25.71118
302.8487 27.48941
303.3308 29.47365
303.8129 31.71778
304.2950 34.06250
304.7771 36.41155
305.2592 38.80610
305.7414 41.35959
306.2235 44.12023
306.7056 47.04590
307.1877 50.03600
307.6698 53.06353
308.1519 56.21078
308.6341 59.51430
309.1162 62.94751
309.5983 66.41715
310.0804 69.87546
310.5625 73.44277
311.0446 77.30238
311.5268 81.46783
312.0089 85.57133
312.4910 89.50633
312.9731 93.34531
313.4552 97.17950
313.9373 101.0173
314.4195 104.9641
314.9016 109.2480
315.3837 113.8184
315.8658 117.9542
316.3479 121.2933
316.8300 124.3922
317.3121 127.7560
317.7943 131.3784
318.2764 134.8432
318.7585 137.9320
319.2406 140.6034
319.7227 142.9427
320.2048 145.0432
320.6870 146.7501
321.1691 147.8760
321.6512 148.5096
322.1333 148.9933
322.6154 149.5116
323.0975 149.9276
323.5797 149.9322
324.0618 149.6349
324.5439 148.8310
325.0260 147.2166
325.5081 145.0821
325.9902 142.9625
326.4724 141.0349
326.9545 139.1227
327.4366 136.9017
327.9187 134.3215
328.4008 131.7955
328.8829 129.5939
329.3651 127.4051
329.8472 124.8102
330.3293 121.7366
330.8114 118.5258
331.2935 115.4699
331.7756 112.5889
332.2578 109.7888
332.7399 107.1588
333.2220 104.5579
333.7041 101.8152
334.1862 98.97175
334.6683 96.22790
335.1505 93.76148
335.6326 91.52837
336.1147 89.23791
336.5968 86.85773
337.0789 84.43864
337.5610 81.99108
338.0432 79.51358
338.5253 77.03821
339.0074 74.59052
339.4895 72.13445
339.9716 69.56328
340.4537 66.76768
340.9359 64.07996
341.4180 61.61206
341.9001 59.26457
342.3822 56.95944
342.8643 54.68222
343.3464 52.34557
343.8286 49.79889
344.3107 46.86863
344.7928 44.28549
345.2749 42.25906
345.7570 40.45575
346.2391 38.66970
346.7213 36.87455
347.2034 35.04166
347.6855 33.13148
348.1676 31.12366
348.6497 29.47099
349.1318 28.52886
349.6140 27.52308
350.0961 26.05546
350.5782 24.27230
351.0603 22.52677
351.5424 21.02924
352.0245 19.73920
352.5067 18.47141
352.9888 17.17313
353.4709 15.96523
353.9530 14.87953
354.4351 13.88715
354.9172 12.95425
355.3994 12.06979
355.8815 11.23204
356.3636 10.43163
356.8457 9.681202
357.3278 8.947521
357.8099 8.215076
358.2920 7.507408
358.7741 6.837894
359.2563 6.208450
359.7384 5.627747
360.2205 5.099396
360.7026 4.622768
361.1847 4.208752
361.6668 3.971983
362.1490 3.676691
362.6311 3.176821
363.1132 2.563354
363.5953 2.027117
364.0774 1.687466
364.5595 1.497511
365.0417 1.254904
365.5238 0.8715110
366.0059 0.5593410
366.4880 0.3994750
366.9701 0.2910460
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368.4165 0.4155060
368.8986 0.6030100
369.3807 0.6767600
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370.8271 0.5949210
371.3092 0.7168600
371.7913 0.9736730
372.2734 1.227900
372.7555 1.356333
373.2376 1.362263
373.7198 1.362864
374.2019 1.384123
374.6840 1.363464
375.1661 1.248884
375.6482 1.088959
376.1303 0.9583050
376.6125 0.8948880
377.0946 0.8758390
377.5767 0.8544770
378.0588 0.8343850
378.5409 0.8016780
379.0230 0.7608150
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379.9873 0.6082630
380.4694 0.4788300
380.9515 0.3371580
381.4336 0.2017080
381.9157 7.2499998E-02
382.3979 3.8516998E-02
382.8800 0.1204610
383.3621 0.1936650
383.8442 0.2489990
384.3263 0.3017230
384.8084 0.4064430
385.2906 0.6468770
385.7727 0.9498420
386.2548 1.141542
386.7369 1.199306
387.2190 1.225973
387.7011 1.301451
388.1833 1.374916
388.6654 1.355042
389.1475 1.169455
389.6296 0.9885540
390.1117 1.004887
390.5938 1.187927
391.0760 1.287001
391.5581 1.176886
392.0402 1.002073
392.5223 0.9796600
393.0044 1.121185
393.4865 1.233118
393.9687 1.175871
394.4508 1.062860
394.9329 1.075615
395.4150 1.243551
395.8971 1.498947
396.3792 1.820360
396.8614 2.195021
397.3435 2.491554
397.8256 2.599155
398.3077 2.721394
398.7898 3.032175
399.2719 3.481958
399.7540 3.878431
400.2361 4.114998
400.7183 4.252323
401.2004 4.455362
401.6825 4.664606
402.1646 5.025902
402.6467 5.635393
403.1288 6.378412
403.6110 7.132744
404.0931 7.865360
404.5752 8.603508
405.0573 9.386633
405.5394 10.23261
406.0215 11.00481
406.5037 11.65752
406.9858 12.28763
407.4679 12.94113
407.9500 13.61393
408.4321 14.27766
408.9142 14.91668
409.3964 15.54630
409.8785 16.25212
410.3606 17.23586
410.8427 18.02334
411.3248 18.53162
411.8069 18.85588
412.2891 19.06335
412.7712 19.18211
413.2533 19.24295
413.7354 19.30618
414.2175 19.41630
414.6996 19.34660
415.1818 19.02580
415.6639 18.58504
416.1460 18.02831
416.6281 17.38584
417.1102 16.72576
417.5923 16.09527
418.0745 15.46969
418.5566 14.72511
419.0387 13.76289
419.5208 12.91345
420.0029 12.37890
420.4850 11.94620
420.9672 11.42362
421.4493 10.76504
421.9314 10.06631
422.4135 9.378452
422.8956 8.709349
423.3777 8.205561
423.8599 7.964119
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