#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:21:32 +0300 (Thu, 24 May 2018) $
#$Revision: 671 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000195.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_1000195
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
;
_journal_name_full               'Crystal Structures'
_journal_page_first              290
_journal_page_last               295
_journal_volume                  1
_journal_year                    1963
_chemical_compound_source        R050454
_chemical_formula_sum            'Fe H O2'
_chemical_name_mineral           Lepidocrocite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-B 2 2b'
_symmetry_space_group_name_H-M   'B b m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.4
_cell_length_b                   3.87
_cell_length_c                   3.06
_cell_volume                     146.843
_exptl_crystal_density_diffrn    4.019
_cod_original_formula_sum        'Fe O2 H'
_cod_database_code               9009154
_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            R050454.rod
_rod_data_source.block           3500000
_rod_database.code               1000195
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 9009154 COD http://www.crystallography.net/cod/9009154.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
163.8074 0.0000000E+00
164.2896 2.9564001E-02
164.7717 1.1612000E-02
165.2538 5.3590001E-03
165.7359 0.1121530
166.2180 0.2704350
166.7001 0.3241950
167.1823 0.2396120
167.6644 0.1452280
168.1465 0.1453330
168.6286 0.2349910
169.1107 0.3172600
169.5928 0.4307400
170.0750 0.7003910
170.5571 0.8556780
171.0392 0.9193160
171.5213 0.9164650
172.0034 0.7506730
172.4855 0.5221200
172.9677 0.2725990
173.4498 0.3909250
173.9319 0.6600870
174.4140 0.7595850
174.8961 0.5267990
175.3782 0.2003210
175.8604 1.3357000E-02
176.3425 6.6900002E-03
176.8246 7.5873002E-02
177.3067 0.4133130
177.7888 0.8459910
178.2709 1.094254
178.7531 0.9959390
179.2352 0.7141170
179.7173 0.4234760
180.1994 0.1268370
180.6815 5.5468000E-02
181.1636 9.7631000E-02
181.6458 0.4722110
182.1279 0.7147340
182.6100 0.6139250
183.0921 0.3527180
183.5742 0.3627540
184.0563 0.6572240
184.5385 0.9375620
185.0206 0.8361590
185.5027 0.4292710
185.9848 8.8179998E-02
186.4669 2.1438001E-02
186.9490 2.4971001E-02
187.4312 4.5119999E-03
187.9133 0.1187130
188.3954 0.1086860
188.8775 1.5852001E-02
189.3596 4.3101002E-02
189.8417 2.0022999E-02
190.3239 0.1589580
190.8060 3.9494000E-02
191.2881 0.1776470
191.7702 0.1405310
192.2523 7.9405002E-02
192.7344 0.2432700
193.2166 0.6305970
193.6987 0.9185410
194.1808 0.9170850
194.6629 0.6585990
195.1450 0.5228060
195.6271 0.5119360
196.1093 0.6160670
196.5914 0.8775630
197.0735 1.314522
197.5556 1.685635
198.0377 1.808764
198.5198 1.681872
199.0020 1.846095
199.4841 2.401911
199.9662 3.071789
200.4483 3.368327
200.9304 3.228891
201.4125 3.096948
201.8947 3.191368
202.3768 3.534605
202.8589 3.818442
203.3410 4.036133
203.8231 4.202288
204.3052 4.309959
204.7874 4.327971
205.2695 4.420357
205.7516 4.713700
206.2337 5.262772
206.7158 5.617246
207.1979 5.697580
207.6801 5.656363
208.1622 5.836254
208.6443 6.318050
209.1264 6.774224
209.6085 6.964435
210.0906 6.734223
210.5728 6.991556
211.0549 7.910144
211.5370 9.205094
212.0191 10.19155
212.5012 10.77142
212.9833 11.30732
213.4655 11.99195
213.9476 12.91830
214.4297 13.67044
214.9118 14.24713
215.3939 14.64125
215.8760 14.87774
216.3582 15.03349
216.8403 14.86817
217.3224 14.18161
217.8045 12.72178
218.2866 11.50707
218.7687 10.64190
219.2508 10.01800
219.7330 9.417048
220.2151 8.854400
220.6972 8.312426
221.1793 7.760992
221.6614 7.164333
222.1435 6.664343
222.6257 6.207174
223.1078 5.861175
223.5899 5.862749
224.0720 6.453029
224.5541 6.991585
225.0362 7.156694
225.5184 6.763938
226.0005 6.477672
226.4826 6.258189
226.9647 6.147623
227.4468 6.310962
227.9289 6.856800
228.4111 7.525359
228.8932 8.223531
229.3753 8.941102
229.8574 9.720071
230.3395 10.56473
230.8216 11.44582
231.3038 12.30555
231.7859 13.05579
232.2680 13.90446
232.7501 14.97559
233.2322 16.44098
233.7143 17.71704
234.1965 18.72020
234.6786 19.56608
235.1607 20.58674
235.6428 21.94130
236.1249 23.22665
236.6070 24.22916
237.0892 24.70749
237.5713 25.44421
238.0534 26.54167
238.5355 27.86035
239.0176 29.05793
239.4997 29.99998
239.9819 31.02039
240.4640 32.24961
240.9461 33.72505
241.4282 35.33176
241.9103 37.04423
242.3924 38.89574
242.8746 40.97206
243.3567 43.31710
243.8388 45.81861
244.3209 48.40412
244.8030 50.90420
245.2851 53.88539
245.7673 57.40979
246.2494 61.38131
246.7315 65.65552
247.2136 70.51267
247.6957 75.23712
248.1778 79.72607
248.6600 84.34569
249.1421 87.54920
249.6242 89.23983
250.1063 89.59898
250.5884 89.04270
251.0705 87.92995
251.5527 85.26038
252.0348 80.47507
252.5169 72.92598
252.9990 65.38470
253.4811 57.55402
253.9632 49.83887
254.4454 43.06268
254.9275 37.30753
255.4096 32.24064
255.8917 27.74723
256.3738 23.84961
256.8560 20.58822
257.3381 18.07478
257.8202 16.07790
258.3023 14.20749
258.7844 12.45640
259.2665 10.88713
259.7487 9.511176
260.2308 8.333011
260.7129 7.403058
261.1950 6.762619
261.6771 6.281975
262.1592 5.812619
262.6414 5.375915
263.1235 4.928144
263.6056 4.443766
264.0877 3.922032
264.5698 3.506834
265.0519 3.229981
265.5341 2.997431
266.0162 2.656707
266.4983 2.144944
266.9804 1.746907
267.4625 1.544246
267.9446 1.529741
268.4268 1.396430
268.9089 1.094415
269.3910 0.7878950
269.8731 0.6892030
270.3552 0.8673450
270.8373 0.9714000
271.3195 0.9130780
271.8016 0.7051520
272.2837 0.4679470
272.7658 0.1707250
273.2479 9.2531003E-02
273.7300 0.1458410
274.2122 0.1715080
274.6943 0.1609800
275.1764 0.1285280
275.6585 1.0009000E-02
276.1406 0.1136000
276.6227 0.1835900
277.1049 0.2131750
277.5870 0.1809010
278.0691 7.9586998E-02
278.5512 1.6060000E-03
279.0333 5.0512001E-02
279.5154 6.9021001E-02
279.9976 4.3588001E-02
280.4797 4.0295001E-02
280.9618 9.3479998E-02
281.4439 2.2489999E-03
281.9260 0.1365260
282.4081 7.2968997E-02
282.8903 9.2275999E-02
283.3724 0.2641550
283.8545 0.3783670
284.3366 0.2350870
284.8187 1.1658000E-02
285.3008 0.1741640
285.7830 6.8172000E-02
286.2651 0.1661160
286.7472 6.1799999E-02
287.2293 0.1047630
287.7114 7.2842002E-02
288.1935 0.1563100
288.6757 0.4472660
289.1578 0.7536400
289.6399 1.066501
290.1220 1.316736
290.6041 1.492992
291.0862 1.636349
291.5684 1.821530
292.0505 2.040509
292.5326 2.210051
293.0147 2.247387
293.4968 2.203281
293.9789 2.225066
294.4611 2.315542
294.9432 2.475807
295.4253 2.761418
295.9074 3.138992
296.3895 3.455721
296.8716 3.287208
297.3538 3.769545
297.8359 4.076422
298.3180 4.217296
298.8001 3.694557
299.2822 4.029076
299.7643 4.020259
300.2465 3.997509
300.7286 4.453099
301.2107 4.027624
301.6928 4.475941
302.1749 4.575671
302.6570 4.835157
303.1392 4.749199
303.6213 4.770165
304.1034 4.766596
304.5855 4.543551
305.0676 4.286333
305.5497 4.252938
306.0319 4.403539
306.5140 4.530256
306.9961 4.510626
307.4782 4.384398
307.9603 4.174972
308.4424 3.821043
308.9246 3.512630
309.4067 3.533956
309.8888 3.745505
310.3709 3.747830
310.8530 3.081892
311.3351 2.246249
311.8173 1.679518
312.2994 1.502604
312.7815 1.418175
313.2636 1.281618
313.7457 1.113411
314.2278 0.9490050
314.7100 0.7558190
315.1921 0.6079940
315.6742 0.6005100
316.1563 0.7829220
316.6384 0.8504810
317.1205 0.5230360
317.6027 4.5508001E-02
318.0848 0.2633720
318.5669 0.2423240
319.0490 0.1101560
319.5311 0.1028730
320.0132 0.4014790
320.4954 0.5376370
320.9775 0.2185790
321.4596 0.1871420
321.9417 0.1857600
322.4238 0.1068030
322.9059 0.4506170
323.3881 0.4081430
323.8702 1.5924999E-02
324.3523 0.2552840
324.8344 0.2360910
325.3165 0.1436990
325.7986 0.1064960
326.2808 0.2691710
326.7629 0.2172280
327.2450 0.1372420
327.7271 0.2557850
328.2092 0.4880590
328.6913 0.3337180
329.1735 0.2152870
329.6556 0.3174670
330.1377 0.8597590
330.6198 1.202423
331.1019 1.250044
331.5840 1.116877
332.0662 1.015406
332.5483 0.9146300
333.0304 0.8910680
333.5125 0.9863810
333.9946 1.219496
334.4767 1.443717
334.9589 1.693181
335.4410 1.904394
335.9231 1.975745
336.4052 1.838596
336.8873 1.724997
337.3694 1.681662
337.8516 1.709421
338.3337 1.837899
338.8158 2.115162
339.2979 2.389565
339.7800 2.507373
340.2621 2.450094
340.7442 2.372138
341.2263 2.275677
341.7085 2.190246
342.1906 2.242606
342.6727 2.455119
343.1548 2.676735
343.6369 2.845868
344.1190 2.948740
344.6012 2.963541
345.0833 2.844637
345.5654 2.705798
346.0475 2.810947
346.5296 3.132118
347.0117 3.324676
347.4939 3.068537
347.9760 2.527206
348.4581 2.247118
348.9402 2.284840
349.4223 2.407711
349.9044 2.350103
350.3866 2.156314
350.8687 1.979110
351.3508 1.927911
351.8329 1.908500
352.3150 1.743327
352.7971 1.436305
353.2793 1.145672
353.7614 0.9839350
354.2435 0.9187060
354.7256 0.8947530
355.2077 0.8861860
355.6898 0.9250600
356.1720 1.093400
356.6541 1.354347
357.1362 1.549670
357.6183 1.516508
358.1004 1.417188
358.5826 1.402587
359.0647 1.526272
359.5468 1.670745
360.0289 1.823436
360.5110 1.949530
360.9931 1.982748
361.4753 1.696882
361.9574 1.470852
362.4395 1.544768
362.9216 1.993002
363.4037 2.396199
363.8858 2.608067
364.3680 2.721119
364.8501 2.833265
365.3322 2.844521
365.8143 2.978975
366.2964 3.357666
366.7785 3.975594
367.2607 4.500416
367.7428 4.899092
368.2249 5.201987
368.7070 5.423878
369.1891 5.403033
369.6712 5.524071
370.1534 5.829234
370.6355 6.275249
371.1176 6.743465
371.5997 7.317804
372.0818 7.804346
372.5639 8.114213
373.0461 8.187791
373.5282 8.265895
374.0103 8.304935
374.4924 8.388607
374.9745 8.683448
375.4566 9.289375
375.9388 9.781131
376.4209 10.04385
376.9030 10.11429
377.3851 10.14361
377.8672 10.10538
378.3493 10.07772
378.8315 10.16333
379.3136 10.35583
379.7957 10.48256
380.2778 10.51541
380.7599 10.46162
381.2420 10.33892
381.7242 10.15512
382.2063 9.979782
382.6884 9.884714
383.1705 9.855460
383.6526 9.850293
384.1347 9.860992
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385.0990 9.879701
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388.4738 9.050216
388.9559 8.866238
389.4380 8.641806
389.9201 8.538301
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390.8844 8.845585
391.3665 8.883936
391.8486 8.820045
392.3307 8.747224
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393.2950 8.805905
393.7771 8.605591
394.2592 8.061564
394.7413 7.661399
395.2234 7.680298
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396.1877 7.975255
396.6698 7.748835
397.1519 7.504360
397.6340 7.332684
398.1161 7.251048
398.5982 7.118001
399.0804 6.884337
399.5625 6.612237
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405.8300 3.869458
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414.9902 3.553756
415.4723 3.519264
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417.8829 2.608425
418.3650 2.652207
418.8471 2.609646
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420.2935 2.296916
420.7756 2.212111
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421.7398 1.820212
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423.6683 1.104537
424.1504 0.9118140
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425.5968 0.3324470
426.0789 0.1719540
426.5610 9.0500005E-03
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429.9358 0.2739520
430.4179 0.2929440
430.9001 0.3077370
431.3822 0.2573270
431.8643 0.1399960
432.3464 8.7715000E-02
432.8285 0.1209490
433.3106 0.1538440
433.7928 4.8618000E-02
434.2749 0.1750890
434.7570 3.7531000E-02
435.2391 4.0447999E-02
435.7212 4.3037999E-02
436.2033 1.4960000E-03
436.6855 8.9126997E-02
437.1676 0.1805170
437.6497 0.1256670
438.1318 5.9898999E-02
438.6139 4.6553001E-02
439.0960 0.1056520
439.5782 0.1622470
440.0603 0.1404810
440.5424 7.3420003E-02
441.0245 2.3197001E-02
441.5066 4.1749999E-03
441.9887 1.9258000E-02
442.4709 9.4058998E-02
442.9530 0.1801800
443.4351 8.5874997E-02
443.9172 8.0048002E-02
444.3993 0.1118950
444.8814 0.1481790
445.3636 0.1586140
445.8457 0.1475540
446.3278 7.3852003E-02
446.8099 0.2332030
447.2920 0.4097970
447.7741 0.3730200
448.2563 0.2917190
448.7384 0.2036400
449.2205 0.1033080
449.7026 2.6206000E-02
450.1847 4.1970000E-02
450.6668 6.9264002E-02
451.1490 1.4781000E-02
451.6311 0.2850970
452.1132 0.3488600
452.5953 5.9999999E-02
453.0774 5.8995999E-02
453.5595 7.1364000E-02
454.0417 0.1636390
454.5238 6.5968998E-02
455.0059 3.3880000E-03
455.4880 8.0646001E-02
455.9701 0.2233530
456.4522 7.0146002E-02
456.9344 0.3257770
457.4165 0.3454050
457.8986 0.1912660
458.3807 3.4816999E-02
458.8628 7.4160002E-02
459.3449 0.1567960
459.8271 0.2537120
460.3092 0.1421260
460.7913 0.1121990
461.2734 0.2663450
461.7555 4.3674000E-02
462.2376 0.1764250
462.7198 0.3999230
463.2019 0.5326960
463.6840 0.4327620
464.1661 0.2478970
464.6482 0.1569150
465.1303 0.2130170
465.6125 0.3602310
466.0946 0.6825420
466.5767 1.143156
467.0588 1.385007
467.5409 1.202274
468.0230 0.9545150
468.5052 0.7889660
468.9873 0.7119860
469.4694 0.7142620
469.9515 0.8617780
470.4336 1.032074
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