#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:11:35 +0300 (Thu, 26 Apr 2018) $
#$Revision: 460 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000027.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_1000027
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 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            R050454.rod
_rod_data_source.block           3500000
_rod_database.code               1000027
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
162.2438 0.0000000E+00
162.7259 2.3990001E-03
163.2081 0.1925760
163.6902 0.1915980
164.1723 0.2875250
164.6544 0.1858290
165.1365 0.1521280
165.6186 0.3169500
166.1008 0.3689350
166.5829 0.2572200
167.0650 0.3680260
167.5471 7.0623003E-02
168.0292 0.1392460
168.5113 0.3572380
168.9935 0.2445650
169.4756 0.3516940
169.9577 0.3741370
170.4398 3.2924999E-02
170.9219 0.3459640
171.4040 0.3546440
171.8862 6.3220002E-02
172.3683 0.3766470
172.8504 0.2723850
173.3325 0.2028260
173.8146 0.2733820
174.2967 0.1967660
174.7789 0.2501510
175.2610 0.2227070
175.7431 0.2046770
176.2252 0.2188350
176.7073 0.2481870
177.1894 0.2342200
177.6716 0.1189470
178.1537 3.5698000E-02
178.6358 1.0200000E-02
179.1179 3.3558000E-02
179.6000 0.1043500
180.0821 0.2419640
180.5643 0.3983320
181.0464 0.4249870
181.5285 0.2626300
182.0106 8.4533997E-02
182.4927 7.2224997E-02
182.9749 0.1926720
183.4570 0.1914530
183.9391 4.5568999E-02
184.4212 0.3874850
184.9033 0.5480910
185.3854 0.4448060
185.8676 0.2897960
186.3497 0.2790850
186.8318 0.4183330
187.3139 0.4975870
187.7960 0.2781680
188.2781 1.7960001E-02
188.7603 3.8729001E-02
189.2424 0.4822340
189.7245 1.042439
190.2066 1.299369
190.6887 1.170044
191.1708 1.037766
191.6530 1.021128
192.1351 1.070728
192.6172 1.166790
193.0993 1.311653
193.5814 1.462116
194.0635 1.509379
194.5457 1.349710
195.0278 1.299714
195.5099 1.507394
195.9920 1.801722
196.4741 2.013601
196.9562 2.065714
197.4384 2.010054
197.9205 1.991493
198.4026 1.983418
198.8847 2.062705
199.3668 2.318078
199.8489 2.631907
200.3311 2.859308
200.8132 2.924323
201.2953 2.881775
201.7774 2.947761
202.2595 3.338225
202.7416 3.600372
203.2238 3.586057
203.7059 3.438601
204.1880 3.368911
204.6701 3.494172
205.1522 3.761478
205.6344 3.933088
206.1165 3.947030
206.5986 3.950645
207.0807 3.927820
207.5628 3.918317
208.0449 4.007912
208.5271 4.256011
209.0092 4.615091
209.4913 4.885618
209.9734 5.067880
210.4555 5.186760
210.9376 5.199531
211.4198 5.147026
211.9019 5.142476
212.3840 5.243112
212.8661 5.432652
213.3482 5.665488
213.8303 6.038786
214.3125 6.310296
214.7946 6.327265
215.2767 6.073114
215.7588 5.746254
216.2409 5.398968
216.7230 5.061890
217.2052 4.736677
217.6873 4.482349
218.1694 4.342131
218.6515 4.376167
219.1336 4.558107
219.6157 4.603706
220.0979 4.292681
220.5800 3.907675
221.0621 3.788241
221.5442 4.010156
222.0263 4.327599
222.5084 4.529175
222.9906 4.613199
223.4727 4.604424
223.9548 4.349627
224.4369 4.101036
224.9190 4.037203
225.4011 4.192131
225.8833 4.511312
226.3654 4.977842
226.8475 5.633060
227.3296 6.226291
227.8117 6.576889
228.2938 6.929421
228.7760 7.451343
229.2581 8.174560
229.7402 8.979244
230.2223 9.692818
230.7044 10.25603
231.1866 10.92413
231.6687 11.92226
232.1508 12.88681
232.6329 13.53699
233.1150 13.84640
233.5971 14.05045
234.0793 14.50645
234.5614 15.39015
235.0435 16.08730
235.5256 16.36389
236.0077 16.63710
236.4898 17.15087
236.9720 17.95252
237.4541 18.95097
237.9362 20.05022
238.4183 21.34929
238.9004 22.48227
239.3825 23.36214
239.8647 24.16791
240.3468 24.94270
240.8289 25.72577
241.3110 26.59889
241.7931 27.70824
242.2752 29.19274
242.7574 30.42591
243.2395 31.33038
243.7216 32.08210
244.2037 32.78043
244.6858 33.44034
245.1679 34.03468
245.6501 34.54039
246.1322 34.96238
246.6143 35.21530
247.0964 35.25585
247.5785 35.18161
248.0606 35.15826
248.5428 35.15173
249.0249 34.87479
249.5070 34.04342
249.9891 32.56316
250.4712 30.85039
250.9533 28.85550
251.4355 26.68258
251.9176 24.27942
252.3997 21.68994
252.8818 19.17332
253.3639 16.95236
253.8460 15.04717
254.3282 13.25876
254.8103 11.58103
255.2924 10.01860
255.7745 8.552588
256.2566 7.195945
256.7387 6.061642
257.2209 5.271362
257.7030 4.806586
258.1851 4.340893
258.6672 3.865835
259.1493 3.400196
259.6314 2.932640
260.1136 2.472572
260.5957 2.088201
261.0778 1.845161
261.5599 1.705010
262.0420 1.521310
262.5241 1.270880
263.0063 1.013129
263.4884 0.7443540
263.9705 0.4706780
264.4526 0.2660940
264.9347 0.2018000
265.4168 0.2103600
265.8990 0.1465210
266.3811 3.7973002E-02
266.8632 0.1952330
267.3453 0.1777530
267.8275 1.2047000E-02
268.3096 8.9920998E-02
268.7917 3.3179000E-02
269.2738 0.1121390
269.7559 0.2688640
270.2380 0.4532310
270.7202 0.5544180
271.2023 0.4163270
271.6844 8.5920997E-02
272.1665 0.1060320
272.6486 8.5870000E-03
273.1307 0.1911190
273.6129 0.3134760
274.0950 0.3586980
274.5771 0.3553310
275.0592 0.3144480
275.5413 0.2380280
276.0234 0.1306520
276.5056 4.5641001E-02
276.9877 0.1999740
277.4698 0.2578990
277.9519 0.2333170
278.4340 0.1979430
278.9161 0.1984630
279.3983 0.2249390
279.8804 0.2208330
280.3625 0.1298750
280.8446 9.6873999E-02
281.3267 0.2393510
281.8088 0.4988900
282.2910 0.7384450
282.7731 0.8422260
283.2552 0.8706610
283.7373 1.056911
284.2194 1.537786
284.7015 1.913847
285.1837 1.934326
285.6658 1.758842
286.1479 1.620903
286.6300 1.632683
287.1121 1.739864
287.5942 1.811827
288.0764 1.810432
288.5585 1.867138
289.0406 2.086458
289.5227 2.360228
290.0048 2.572624
290.4869 2.679970
290.9691 2.728531
291.4512 2.786503
291.9333 2.842182
292.4154 2.946461
292.8975 3.186321
293.3796 3.436005
293.8618 3.603123
294.3439 3.664228
294.8260 3.647141
295.3081 3.566435
295.7902 3.401361
296.2723 3.272131
296.7545 3.224333
297.2366 3.200668
297.7187 3.164719
298.2008 3.115812
298.6829 3.086182
299.1650 3.122349
299.6472 3.234192
300.1293 3.316683
300.6114 3.327532
301.0935 3.338894
301.5756 3.419847
302.0577 3.538937
302.5399 3.592375
303.0220 3.471611
303.5041 3.186478
303.9862 2.946295
304.4683 2.704561
304.9504 2.576218
305.4326 2.713444
305.9147 2.978394
306.3968 3.114685
306.8789 2.941204
307.3610 2.535259
307.8431 2.232876
308.3253 2.090286
308.8074 1.970709
309.2895 1.884157
309.7716 1.778847
310.2537 1.571795
310.7358 1.212706
311.2180 0.7966610
311.7001 0.5475350
312.1822 0.5412370
312.6643 0.5342620
313.1464 0.4851720
313.6285 0.4126030
314.1107 0.3235610
314.5928 0.2211670
315.0749 0.1194500
315.5570 1.9272000E-02
316.0392 0.1113070
316.5213 0.1202580
317.0034 0.1568740
317.4855 0.4453700
317.9676 0.6226540
318.4497 0.6658230
318.9319 0.5908720
319.4140 0.3487890
319.8961 9.6060000E-02
320.3782 0.3510930
320.8603 0.2647960
321.3424 0.1129510
321.8246 3.5618000E-02
322.3067 0.1663110
322.7888 0.2714480
323.2709 0.3482610
323.7530 0.3944970
324.2351 0.3776840
324.7173 0.2269780
325.1994 0.1165030
325.6815 0.1119790
326.1636 0.1750430
326.6457 0.2567920
327.1278 0.3341870
327.6100 0.4015450
328.0921 0.4525150
328.5742 0.5135880
329.0563 0.5257020
329.5384 0.3783190
330.0205 0.2375260
330.5027 0.2791770
330.9848 0.5478380
331.4669 0.8787670
331.9490 1.037085
332.4311 0.9893320
332.9132 0.9324320
333.3954 0.8357890
333.8775 0.7863370
334.3596 0.8417110
334.8417 0.9939210
335.3238 1.201132
335.8059 1.478300
336.2881 1.829632
336.7702 2.001671
337.2523 1.839388
337.7344 1.655573
338.2165 1.577909
338.6986 1.590557
339.1808 1.640860
339.6629 1.693491
340.1450 1.760365
340.6271 1.919060
341.1092 2.300789
341.5913 2.510090
342.0735 2.229856
342.5556 1.771015
343.0377 1.511524
343.5198 1.605295
344.0019 1.910284
344.4840 2.240948
344.9662 2.628681
345.4483 2.913910
345.9304 2.984276
346.4125 2.965946
346.8946 2.910536
347.3767 2.827883
347.8589 2.779795
348.3410 2.833979
348.8231 2.988552
349.3052 3.166361
349.7873 3.398933
350.2694 3.603388
350.7516 3.718370
351.2337 3.756903
351.7158 3.775110
352.1979 3.731150
352.6800 3.687483
353.1621 3.902237
353.6443 4.521019
354.1264 5.072561
354.6085 5.176773
355.0906 5.054607
355.5727 5.040869
356.0548 5.252333
356.5370 5.610462
357.0191 6.035416
357.5012 6.529770
357.9833 7.041456
358.4654 7.619271
358.9475 8.155091
359.4297 8.479225
359.9118 8.527596
360.3939 8.604419
360.8760 8.946928
361.3581 9.516653
361.8402 10.15800
362.3224 10.92338
362.8045 11.60221
363.2866 11.87288
363.7687 11.78634
364.2508 11.86733
364.7329 12.48509
365.2151 13.35088
365.6972 13.93736
366.1793 14.15647
366.6614 14.38216
367.1436 14.94063
367.6257 15.73402
368.1078 16.45445
368.5899 17.06841
369.0720 17.59634
369.5541 18.03974
370.0363 18.40472
370.5184 18.71516
371.0005 18.95592
371.4826 19.17267
371.9647 19.49633
372.4468 20.02753
372.9290 20.40533
373.4111 20.38442
373.8932 20.13194
374.3753 19.96609
374.8574 19.97982
375.3395 20.03998
375.8217 19.98618
376.3038 19.80961
376.7859 19.59067
377.2680 19.32865
377.7501 19.02998
378.2322 18.67260
378.7144 18.27741
379.1965 17.90912
379.6786 17.62222
380.1607 17.40265
380.6428 17.10245
381.1249 16.72090
381.6071 16.27716
382.0892 15.65761
382.5713 14.99295
383.0534 14.55955
383.5355 14.48673
384.0176 14.60915
384.4998 14.56949
384.9819 14.25918
385.4640 13.95060
385.9461 13.61746
386.4282 13.31529
386.9103 13.12554
387.3925 13.04095
387.8746 12.94035
388.3567 12.67843
388.8388 12.20597
389.3209 11.88431
389.8030 11.83925
390.2852 11.78820
390.7673 11.63479
391.2494 11.39976
391.7315 11.12484
392.2136 10.82529
392.6957 10.51654
393.1779 10.30907
393.6600 10.39377
394.1421 10.36081
394.6242 10.10286
395.1063 9.764352
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396.0706 9.186942
396.5527 8.985562
397.0348 8.881753
397.5169 8.929348
397.9990 8.827894
398.4811 8.443514
398.9633 8.025804
399.4454 7.606163
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400.4096 6.993753
400.8917 7.006330
401.3738 7.184357
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403.7844 6.106275
404.2665 5.950271
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415.3553 2.960204
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417.7658 2.516210
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419.6943 2.164213
420.1764 2.309789
420.6585 2.297334
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421.6228 1.973633
422.1049 1.810691
422.5870 1.651482
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424.9976 1.204555
425.4797 1.176712
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437.0505 0.2514770
437.5326 8.9178003E-02
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438.4969 1.7920000E-03
438.9790 7.0202999E-02
439.4611 0.2559600
439.9432 0.4073720
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440.9074 0.4453500
441.3896 0.3927920
441.8717 0.3013790
442.3538 0.1965030
442.8359 9.5043004E-02
443.3180 2.5239999E-03
443.8001 8.5872002E-02
444.2823 0.1492590
444.7644 0.2059320
445.2465 0.2948220
445.7286 0.4006980
446.2107 0.4297700
446.6928 0.2820630
447.1750 9.6213996E-02
447.6571 1.0076000E-02
448.1392 2.0938000E-02
448.6213 8.5965000E-02
449.1034 0.2236860
449.5855 0.3639460
450.0677 0.2793180
450.5498 0.1912290
451.0319 0.5083940
451.5140 0.4199500
451.9961 0.1566660
452.4782 7.1300002E-04
452.9604 3.8989999E-03
453.4425 4.3813001E-02
453.9246 1.0906000E-02
454.4067 0.1766270
454.8888 0.2602200
455.3709 0.2216480
455.8531 0.1602950
456.3352 9.9357001E-02
456.8173 4.2665001E-02
457.2994 1.2288000E-02
457.7815 6.6666000E-02
458.2636 0.1115060
458.7458 0.1257400
459.2279 9.1940001E-02
459.7100 6.3074999E-02
460.1921 1.6049000E-02
460.6742 5.9810001E-03
461.1563 4.9702000E-02
461.6385 0.1609630
462.1206 0.2470910
462.6027 0.2430750
463.0848 0.1630550
463.5669 6.5948002E-02
464.0491 9.9069998E-02
464.5312 0.1732190
465.0133 1.8082000E-02
465.4954 0.2050450
465.9775 0.3215890
466.4597 0.2856340
466.9418 0.2341840
467.4239 0.3463740
467.9060 0.5813790
468.3881 0.6467330
468.8702 0.4407130
469.3524 0.1748620
469.8345 2.3971001E-02
470.3166 0.1486840
470.7987 0.1453960
471.2808 0.1215840
471.7629 0.4268340
472.2451 0.5460570
472.7272 0.5137630
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