#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:28:08 +0300 (Thu, 26 Apr 2018) $
#$Revision: 469 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000032.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_1000032
loop_
_publ_author_name
'Moore, P. B.'
_publ_section_title
;
 The crystal structure of laueite, MnFe2(OH)2(PO4)2(H2O)6.2H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1884
_journal_page_last               1892
_journal_volume                  50
_journal_year                    1965
_chemical_compound_source        R060013
_chemical_formula_sum            'Fe2 H4 Mn O18 P2'
_chemical_name_mineral           Laueite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                107.92
_cell_angle_beta                 110.98
_cell_angle_gamma                71.12
_cell_length_a                   5.28
_cell_length_b                   10.66
_cell_length_c                   7.14
_cell_volume                     346.573
_exptl_crystal_density_diffrn    2.481
_cod_original_formula_sum        'Mn Fe2 P2 O18 H4'
_cod_database_code               9000136
_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            R060013.rod
_rod_data_source.block           3500000
_rod_database.code               1000032
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 9000136 COD http://www.crystallography.net/cod/9000136.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
131.1509 0.0000000E+00
131.6331 0.1700290
132.1152 0.3104020
132.5973 0.4450660
133.0794 0.6483860
133.5615 0.8634010
134.0436 0.9867290
134.5258 0.8366410
135.0079 0.6026340
135.4900 0.3961790
135.9721 0.3074260
136.4542 0.4156760
136.9363 0.6834530
137.4184 0.8914760
137.9006 0.9132710
138.3827 1.017284
138.8648 1.003277
139.3469 0.8690220
139.8290 0.6455420
140.3111 0.3965640
140.7933 0.1941570
141.2754 4.2479001E-02
141.7575 7.1934000E-02
142.2396 0.1507990
142.7217 0.1916750
143.2038 0.1769280
143.6860 9.3626000E-02
144.1681 8.5159997E-03
144.6502 1.6779000E-02
145.1323 7.2040997E-02
145.6144 6.0780998E-02
146.0965 0.1184710
146.5787 0.4054640
147.0608 0.5971870
147.5429 0.5922760
148.0250 0.6210080
148.5071 0.8443780
148.9892 1.209375
149.4714 1.567595
149.9535 1.775858
150.4356 1.817062
150.9177 1.936441
151.3998 2.164410
151.8819 2.454288
152.3641 2.816446
152.8462 3.238649
153.3283 3.683329
153.8104 4.115931
154.2925 4.541126
154.7746 4.930737
155.2568 5.243505
155.7389 5.559082
156.2210 5.941832
156.7031 6.397062
157.1852 6.869406
157.6673 7.272346
158.1495 7.567432
158.6316 7.841257
159.1137 8.132416
159.5958 8.387581
160.0779 8.540585
160.5600 8.567730
161.0422 8.521114
161.5243 8.515369
162.0064 8.613029
162.4885 8.608276
162.9706 8.376116
163.4527 8.013418
163.9349 7.713932
164.4170 7.562534
164.8991 7.495712
165.3812 7.391008
165.8633 7.245405
166.3454 7.078960
166.8276 6.895346
167.3097 6.697306
167.7918 6.496870
168.2739 6.282909
168.7560 6.083736
169.2381 5.934378
169.7203 5.847593
170.2024 5.782724
170.6845 5.691210
171.1666 5.564058
171.6487 5.465530
172.1308 5.448633
172.6130 5.455238
173.0951 5.435982
173.5772 5.371609
174.0593 5.299131
174.5414 5.290071
175.0235 5.381823
175.5057 5.460224
175.9878 5.492071
176.4699 5.505331
176.9520 5.518375
177.4341 5.537708
177.9162 5.574327
178.3984 5.664555
178.8805 5.847883
179.3626 6.040735
179.8447 6.227215
180.3268 6.418367
180.8089 6.639843
181.2911 6.908056
181.7732 7.206490
182.2553 7.441017
182.7374 7.524393
183.2195 7.641491
183.7016 7.830971
184.1838 8.078463
184.6659 8.377234
185.1480 8.743719
185.6301 9.152067
186.1122 9.324707
186.5943 9.104450
187.0765 8.868324
187.5586 8.805099
188.0407 8.861092
188.5228 8.838280
189.0049 8.619215
189.4870 8.198227
189.9692 7.824652
190.4513 7.528667
190.9334 7.251411
191.4155 6.948418
191.8976 6.622797
192.3797 6.310930
192.8619 6.026718
193.3440 5.782824
193.8261 5.605345
194.3082 5.549688
194.7903 5.529564
195.2724 5.445313
195.7546 5.286520
196.2367 5.140820
196.7188 5.081924
197.2009 5.067461
197.6830 5.039614
198.1651 4.938961
198.6473 4.842688
199.1294 4.919062
199.6115 5.259169
200.0936 5.539309
200.5757 5.567451
201.0578 5.468563
201.5400 5.396412
202.0221 5.432726
202.5042 5.525911
202.9863 5.537174
203.4684 5.429873
203.9505 5.305092
204.4327 5.198093
204.9148 5.093760
205.3969 4.975906
205.8790 4.840725
206.3611 4.682222
206.8432 4.458637
207.3254 4.088144
207.8075 3.743563
208.2896 3.473436
208.7717 3.251627
209.2538 3.031191
209.7359 2.780056
210.2181 2.507086
210.7002 2.304464
211.1823 2.275797
211.6644 2.213545
212.1465 2.029671
212.6286 1.787525
213.1108 1.595392
213.5929 1.525183
214.0750 1.571569
214.5571 1.661362
215.0392 1.903492
215.5213 2.071716
216.0035 2.014509
216.4856 1.828543
216.9677 1.736095
217.4498 1.900179
217.9319 2.293100
218.4140 2.540466
218.8961 2.501574
219.3783 2.492687
219.8604 2.658655
220.3425 2.961399
220.8246 3.276146
221.3067 3.530729
221.7888 3.726969
222.2710 3.903814
222.7531 4.033178
223.2352 4.171377
223.7173 4.346230
224.1994 4.554924
224.6815 4.785042
225.1637 5.036074
225.6458 5.301590
226.1279 5.557529
226.6100 5.845337
227.0921 6.084070
227.5742 6.174973
228.0564 6.134441
228.5385 6.141611
229.0206 6.325514
229.5027 6.611734
229.9848 6.827904
230.4669 6.937538
230.9491 7.009466
231.4312 7.104549
231.9133 7.224310
232.3954 7.328163
232.8775 7.367390
233.3596 7.389027
233.8418 7.451639
234.3239 7.561670
234.8060 7.725527
235.2881 7.956186
235.7702 8.254059
236.2523 8.562725
236.7345 8.831558
237.2166 9.118656
237.6987 9.497654
238.1808 10.00356
238.6629 10.53841
239.1451 10.94981
239.6272 11.19845
240.1093 11.53815
240.5914 12.10615
241.0735 12.75159
241.5556 13.38234
242.0378 13.98169
242.5199 14.56873
243.0020 15.18239
243.4841 15.83347
243.9662 16.45693
244.4483 17.02921
244.9305 17.58007
245.4126 18.12191
245.8947 18.65814
246.3768 19.20396
246.8589 19.79245
247.3410 20.45482
247.8232 21.05837
248.3053 21.64507
248.7874 22.14092
249.2695 22.46601
249.7516 22.62088
250.2337 22.70333
250.7159 22.83685
251.1980 23.03249
251.6801 23.25413
252.1622 23.50101
252.6443 23.77039
253.1264 24.06812
253.6086 24.39177
254.0907 24.72817
254.5728 25.04959
255.0549 25.32050
255.5370 25.69704
256.0191 26.27681
256.5013 26.86460
256.9834 27.38321
257.4655 27.80818
257.9476 28.12938
258.4297 28.33624
258.9118 28.42952
259.3940 28.38837
259.8761 28.29344
260.3582 28.03069
260.8403 27.48553
261.3224 26.69545
261.8045 25.80352
262.2867 24.92853
262.7688 24.06356
263.2509 23.28995
263.7330 22.89495
264.2151 22.31975
264.6972 21.16448
265.1794 19.55087
265.6615 17.90944
266.1436 16.58863
266.6257 15.59331
267.1078 14.78479
267.5899 14.27631
268.0721 13.79128
268.5542 13.18223
269.0363 12.49030
269.5184 11.82342
270.0005 11.17327
270.4826 10.88208
270.9648 10.55797
271.4469 10.20285
271.9290 9.722902
272.4111 9.404575
272.8932 9.021746
273.3753 8.636396
273.8575 8.341213
274.3396 7.880278
274.8217 7.584061
275.3038 7.222281
275.7859 6.890722
276.2680 6.494186
276.7502 6.046354
277.2323 5.620106
277.7144 5.210306
278.1965 4.814186
278.6786 4.423225
279.1607 4.036383
279.6429 3.657896
280.1250 3.291725
280.6071 2.932629
281.0892 2.569305
281.5713 2.191711
282.0534 1.819038
282.5356 1.489725
283.0177 1.201300
283.4998 0.9443990
283.9819 0.7130240
284.4640 0.5139010
284.9461 0.3679220
285.4283 0.2869530
285.9104 0.2287830
286.3925 0.1275220
286.8746 2.2113999E-02
287.3567 0.1517870
287.8388 0.2353630
288.3210 0.2971760
288.8031 0.3714600
289.2852 0.4668880
289.7673 0.5573430
290.2494 0.6083030
290.7315 0.6225240
291.2137 0.6434730
291.6958 0.7166230
292.1779 0.7790580
292.6600 0.7542300
293.1421 0.6337010
293.6242 0.4748670
294.1064 0.2963050
294.5885 0.1132090
295.0706 1.3010000E-03
295.5527 5.9850002E-03
296.0348 5.8628000E-02
296.5169 0.1218870
296.9991 0.1924480
297.4812 0.2246780
297.9633 0.1739650
298.4454 6.3721001E-02
298.9275 2.4218000E-02
299.4096 8.5933998E-02
299.8918 0.1263080
300.3739 0.1228260
300.8560 8.6692996E-02
301.3381 0.1041510
301.8202 0.2437710
302.3023 0.4385550
302.7845 0.5538390
303.2666 0.5702880
303.7487 0.5556530
304.2308 0.5375060
304.7129 0.5173260
305.1950 0.4914400
305.6772 0.4380460
306.1593 0.4109000
306.6414 0.5046180
307.1235 0.7321450
307.6056 0.9357910
308.0877 1.014996
308.5699 1.023069
309.0520 1.093821
309.5341 1.274248
310.0162 1.473103
310.4983 1.583073
310.9804 1.617933
311.4626 1.638687
311.9447 1.623569
312.4268 1.619572
312.9089 1.707129
313.3910 1.904520
313.8731 2.143423
314.3553 2.391447
314.8374 2.639315
315.3195 2.855942
315.8016 3.018850
316.2837 3.157124
316.7658 3.282740
317.2480 3.394346
317.7301 3.554951
318.2122 3.848785
318.6943 4.208652
319.1764 4.467646
319.6585 4.555902
320.1407 4.613583
320.6228 4.731274
321.1049 4.907764
321.5870 5.137825
322.0691 5.447214
322.5512 5.787697
323.0334 6.064524
323.5155 6.248856
323.9976 6.444399
324.4797 6.714924
324.9618 7.049980
325.4439 7.399012
325.9261 7.742012
326.4082 8.086245
326.8903 8.465406
327.3724 8.881821
327.8545 9.279879
328.3366 9.615099
328.8188 9.919552
329.3009 10.25376
329.7830 10.63141
330.2651 11.01488
330.7472 11.37747
331.2293 11.71886
331.7115 12.02878
332.1936 12.29968
332.6757 12.54149
333.1578 12.74350
333.6399 12.90630
334.1220 13.10889
334.6042 13.44189
335.0863 13.85357
335.5684 14.14797
336.0505 14.25956
336.5326 14.31413
337.0147 14.39506
337.4969 14.49091
337.9790 14.54142
338.4611 14.49981
338.9432 14.41731
339.4253 14.41745
339.9074 14.54518
340.3896 14.63119
340.8717 14.59943
341.3538 14.48084
341.8359 14.33072
342.3180 14.15899
342.8001 13.97716
343.2822 13.79845
343.7643 13.62323
344.2465 13.44838
344.7286 13.30436
345.2107 13.13970
345.6928 12.89332
346.1749 12.55679
346.6570 12.18048
347.1392 11.79143
347.6213 11.39341
348.1034 11.07358
348.5855 10.90959
349.0676 10.76027
349.5497 10.54095
350.0319 10.25213
350.5140 9.919548
350.9961 9.550989
351.4782 9.157625
351.9603 8.789063
352.4424 8.433954
352.9246 8.107157
353.4067 7.833113
353.8888 7.579716
354.3709 7.290916
354.8530 6.943148
355.3351 6.562380
355.8173 6.195234
356.2994 5.829992
356.7815 5.508810
357.2636 5.244995
357.7457 5.016773
358.2278 4.726265
358.7100 4.618507
359.1921 4.484831
359.6742 4.326714
360.1563 4.059996
360.6384 3.941824
361.1205 3.775948
361.6027 3.618662
362.0848 3.548204
362.5669 3.332308
363.0490 3.265511
363.5311 3.141386
364.0132 3.045921
364.4954 2.896215
364.9775 2.772921
365.4596 2.713310
365.9417 2.619432
366.4238 2.472759
366.9059 2.395851
367.3881 2.207716
367.8702 2.131578
368.3523 2.102499
368.8344 1.976290
369.3165 1.914291
369.7986 1.830206
370.2808 1.637320
370.7629 1.643343
371.2450 1.568666
371.7271 1.409954
372.2092 1.416780
372.6913 1.271408
373.1735 1.179070
373.6556 1.124702
374.1377 1.027426
374.6198 1.003225
375.1019 0.9210930
375.5840 0.8352620
376.0662 0.7720950
376.5483 0.6360810
377.0304 0.5922570
377.5125 0.5227630
377.9946 0.4560310
378.4767 0.3920470
378.9589 0.3273640
379.4410 0.2507570
379.9231 0.1602330
380.4052 7.9797998E-02
380.8873 5.7142999E-02
381.3694 0.1231590
381.8516 0.1495340
382.3337 5.9705999E-02
382.8158 1.6987000E-02
383.2979 9.7709997E-03
383.7800 0.1235240
384.2621 0.2276930
384.7443 0.2297120
385.2264 0.1402500
385.7085 9.1131002E-02
386.1906 9.0603001E-02
386.6727 0.1233980
387.1548 0.1824880
387.6370 0.2658340
388.1191 0.3739100
388.6012 0.5132170
389.0833 0.6651340
389.5654 0.7948440
390.0475 0.8979350
390.5297 0.9986500
391.0118 1.093293
391.4939 1.196501
391.9760 1.331660
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392.9402 1.658375
393.4224 1.733707
393.9045 1.746802
394.3866 1.815549
394.8687 1.979906
395.3508 2.163715
395.8329 2.300056
396.3151 2.403167
396.7972 2.519899
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397.7614 2.838068
398.2435 3.043396
398.7256 3.287082
399.2078 3.490922
399.6899 3.577043
400.1720 3.604242
400.6541 3.710838
401.1362 3.959403
401.6183 4.179338
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402.5826 4.220056
403.0647 4.170515
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404.0289 4.095917
404.5110 4.099447
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405.4753 4.138783
405.9574 4.024722
406.4395 3.866588
406.9216 3.686173
407.4037 3.497910
407.8859 3.415423
408.3680 3.589251
408.8501 3.969887
409.3322 3.955576
409.8143 3.225943
410.2964 2.521133
410.7786 2.090537
411.2607 1.862927
411.7428 1.718775
412.2249 1.613218
412.7070 1.520673
413.1891 1.390685
413.6713 1.199088
414.1534 1.011148
414.6355 0.8101740
415.1176 0.6248340
415.5997 0.4778440
416.0818 0.3696750
416.5640 0.2895830
417.0461 0.2334420
417.5282 0.2021750
418.0103 0.1353450
418.4924 3.2235999E-02
418.9745 0.1645280
419.4567 0.2209090
419.9388 0.2275070
420.4209 0.2148030
420.9030 0.1957800
421.3851 0.1818160
421.8672 0.2045200
422.3494 0.2964330
422.8315 0.3407740
423.3136 0.2679200
423.7957 0.1929660
424.2778 0.2016250
424.7599 0.2863730
425.2421 0.3645100
425.7242 0.3547250
426.2063 0.2685210
426.6884 0.2185720
427.1705 0.2198340
427.6526 0.2337300
428.1348 0.2546030
428.6169 0.2729090
429.0990 0.2747070
429.5811 0.2545760
430.0632 0.2179990
430.5453 0.1572140
431.0275 7.0868999E-02
431.5096 2.7602000E-02
431.9917 8.1298999E-02
432.4738 0.1515430
432.9559 0.1460770
433.4380 6.5897003E-02
433.9202 8.5659996E-03
434.4023 2.8219000E-02
434.8844 2.0443000E-02
435.3665 3.8417000E-02
435.8486 9.0120003E-02
436.3307 0.1318520
436.8129 0.1080820
437.2950 4.8223998E-02
437.7771 7.1365997E-02
438.2592 0.2931030
438.7413 0.4789370
439.2234 0.4585600
439.7056 0.3067460
440.1877 0.2039710
440.6698 0.2190510
441.1519 0.3082360
441.6340 0.4011660
442.1161 0.4992610
442.5983 0.5826820
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