#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:22:11 +0300 (Thu, 24 May 2018) $
#$Revision: 682 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000201.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_1000201
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 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            R060013.rod
_rod_data_source.block           3500000
_rod_database.code               1000201
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
131.4935 0.0000000E+00
131.9756 0.6761550
132.4577 1.118988
132.9398 1.218391
133.4219 1.535599
133.9040 2.128937
134.3862 2.413277
134.8683 2.267372
135.3504 1.769852
135.8325 1.540771
136.3146 1.853561
136.7967 2.599174
137.2789 3.005424
137.7610 2.963326
138.2431 2.667580
138.7252 1.977638
139.2073 1.378357
139.6894 0.8874210
140.1716 0.5037080
140.6537 0.2328490
141.1358 2.5230000E-02
141.6179 0.1132050
142.1000 0.1933590
142.5821 0.2435070
143.0643 0.2761690
143.5464 0.2491760
144.0285 0.2178270
144.5106 0.4462660
144.9927 7.9521000E-02
145.4748 1.843246
145.9570 4.267059
146.4391 5.526093
146.9212 4.828201
147.4033 3.950981
147.8854 3.728439
148.3675 4.683563
148.8497 5.470154
149.3318 6.007347
149.8139 6.326309
150.2960 6.569092
150.7781 6.268646
151.2602 6.225861
151.7424 6.871597
152.2245 9.309334
152.7066 11.17037
153.1887 11.95758
153.6708 11.77243
154.1529 12.03263
154.6351 13.39108
155.1172 14.89748
155.5993 15.91505
156.0814 15.91862
156.5635 15.91171
157.0456 15.91011
157.5278 15.92049
158.0099 16.51064
158.4920 18.35171
158.9741 20.57919
159.4562 22.43166
159.9383 23.64861
160.4205 24.54696
160.9026 25.26384
161.3847 25.81776
161.8668 26.01137
162.3489 25.36629
162.8310 24.44590
163.3132 23.90660
163.7953 24.35611
164.2774 24.93997
164.7595 25.26345
165.2416 25.28896
165.7237 25.09006
166.2059 24.49737
166.6880 23.73331
167.1701 23.13677
167.6522 23.11716
168.1343 23.14806
168.6164 22.67915
169.0985 21.46280
169.5807 20.62753
170.0628 21.24049
170.5449 22.77017
171.0270 24.17548
171.5091 24.93997
171.9912 25.33852
172.4734 25.63053
172.9555 25.86324
173.4376 25.96931
173.9197 25.91208
174.4018 25.61721
174.8839 25.22239
175.3661 24.87214
175.8482 24.50171
176.3303 24.01155
176.8124 23.35136
177.2945 22.64651
177.7766 21.96803
178.2588 21.33250
178.7409 20.83636
179.2230 20.44002
179.7051 20.23143
180.1872 20.41283
180.6693 21.10354
181.1515 22.04115
181.6336 22.93091
182.1157 23.76820
182.5978 24.51413
183.0799 25.08281
183.5620 25.54254
184.0442 26.07493
184.5263 26.74966
185.0084 27.47469
185.4905 28.17506
185.9726 28.84142
186.4547 29.33505
186.9369 29.57475
187.4190 29.56281
187.9011 29.24447
188.3832 28.46907
188.8653 27.51187
189.3474 27.19147
189.8296 27.45447
190.3117 27.56688
190.7938 26.62328
191.2759 24.80259
191.7580 23.54671
192.2401 23.33031
192.7223 23.79588
193.2044 23.90636
193.6865 23.63627
194.1686 23.22144
194.6507 22.85587
195.1328 22.53519
195.6150 22.20344
196.0971 21.81548
196.5792 21.41272
197.0613 21.10606
197.5434 20.86115
198.0255 20.86032
198.5077 21.44741
198.9898 22.65823
199.4719 23.57678
199.9540 23.89517
200.4361 23.74216
200.9182 23.86293
201.4004 24.33648
201.8825 24.85710
202.3646 25.15369
202.8467 25.27542
203.3288 25.13009
203.8109 24.72552
204.2931 24.04172
204.7752 22.83336
205.2573 20.94654
205.7394 18.90638
206.2215 17.29433
206.7036 16.21748
207.1858 15.08004
207.6679 13.76140
208.1500 12.26305
208.6321 10.52979
209.1142 8.402016
209.5963 6.336899
210.0785 4.857964
210.5606 4.092194
211.0427 3.478363
211.5248 2.908768
212.0069 2.382919
212.4890 1.847809
212.9712 1.270622
213.4533 0.7347640
213.9354 0.3791430
214.4175 0.3011400
214.8996 8.0856003E-02
215.3817 0.5178990
215.8639 1.494080
216.3460 1.847481
216.8281 1.392746
217.3102 0.5611190
217.7923 0.2324680
218.2744 1.106567
218.7565 1.628647
219.2387 1.511200
219.7208 0.7248460
220.2029 0.6087570
220.6850 1.436775
221.1671 2.609573
221.6492 3.454849
222.1314 3.862823
222.6135 4.214615
223.0956 4.589714
223.5777 4.998215
224.0598 5.313843
224.5419 5.452797
225.0241 5.595673
225.5062 5.974174
225.9883 6.751511
226.4704 7.412170
226.9525 7.816452
227.4346 7.962799
227.9168 8.079277
228.3989 8.132698
228.8810 8.211349
229.3631 8.405922
229.8452 8.777496
230.3273 9.119331
230.8095 9.360825
231.2916 9.498009
231.7737 9.828430
232.2558 10.53231
232.7379 11.20112
233.2200 11.35625
233.7022 10.58527
234.1843 10.10609
234.6664 10.18535
235.1485 10.82475
235.6306 11.71863
236.1127 12.99924
236.5949 14.41110
237.0770 15.68689
237.5591 16.61172
238.0412 17.82287
238.5233 19.54925
239.0054 21.79803
239.4876 23.67454
239.9697 24.87401
240.4518 26.04916
240.9339 27.79599
241.4160 30.35530
241.8981 32.99419
242.3803 35.50581
242.8624 37.91801
243.3445 40.83058
243.8266 44.72162
244.3087 48.59961
244.7908 51.55215
245.2730 52.91145
245.7551 54.70659
246.2372 57.45258
246.7193 61.03862
247.2014 63.91444
247.6835 65.63869
248.1657 67.14954
248.6478 69.13815
249.1299 71.83533
249.6120 74.53416
250.0941 77.17287
250.5762 79.74956
251.0584 82.32634
251.5405 85.19230
252.0226 87.64608
252.5047 88.97679
252.9868 88.32574
253.4689 88.58832
253.9511 90.09955
254.4332 92.78190
254.9153 96.28240
255.3974 101.2196
255.8795 106.0232
256.3616 109.5341
256.8438 111.1390
257.3259 113.1783
257.8080 116.1497
258.2901 119.6555
258.7722 122.2723
259.2543 123.9668
259.7365 124.8251
260.2186 124.9366
260.7007 124.3549
261.1828 122.8599
261.6649 120.4299
262.1470 117.0789
262.6292 112.6180
263.1113 106.6721
263.5934 100.4175
264.0755 94.41498
264.5576 88.61071
265.0397 83.05808
265.5219 77.68856
266.0040 72.58570
266.4861 67.83783
266.9682 63.58947
267.4503 59.42825
267.9324 55.21675
268.4146 50.80373
268.8967 46.73917
269.3788 42.98260
269.8609 39.61819
270.3430 36.94299
270.8251 35.08783
271.3073 33.49910
271.7894 32.01650
272.2715 30.63992
272.7536 29.38863
273.2357 28.37794
273.7178 27.30839
274.2000 25.62617
274.6821 23.19519
275.1642 20.91759
275.6463 19.08948
276.1284 17.70370
276.6105 16.57411
277.0927 15.82204
277.5748 15.06234
278.0569 13.67897
278.5390 11.57678
279.0211 9.696877
279.5032 8.416306
279.9854 7.670464
280.4675 6.688934
280.9496 5.375885
281.4317 4.151451
281.9138 3.639305
282.3959 3.878868
282.8781 3.761307
283.3602 2.847832
283.8423 1.375336
284.3244 0.4153980
284.8065 1.3237000E-02
285.2886 0.2061080
285.7708 0.5905910
286.2529 1.127625
286.7350 1.553177
287.2171 1.786888
287.6992 1.895050
288.1813 2.107391
288.6635 2.439919
289.1456 2.636040
289.6277 2.482834
290.1098 2.005959
290.5919 1.350357
291.0740 0.4714050
291.5562 0.4798660
292.0383 1.200111
292.5204 1.700630
293.0025 2.105423
293.4846 2.472672
293.9667 2.810776
294.4489 3.103943
294.9310 3.293358
295.4131 3.585007
295.8952 4.479790
296.3773 5.862114
296.8594 7.002953
297.3416 7.351410
297.8237 7.186378
298.3058 7.071747
298.7879 7.016235
299.2700 7.166496
299.7521 7.892967
300.2343 9.017700
300.7164 9.940079
301.1985 10.41730
301.6806 10.50668
302.1627 10.22382
302.6448 9.548920
303.1270 8.739578
303.6091 7.771706
304.0912 6.847870
304.5733 6.339233
305.0554 6.869675
305.5375 7.643173
306.0197 7.645477
306.5018 6.921074
306.9839 6.246429
307.4660 6.386856
307.9481 6.898933
308.4302 7.146179
308.9124 6.735580
309.3945 6.182770
309.8766 5.850197
310.3587 5.723679
310.8408 5.751312
311.3229 6.013756
311.8051 6.366379
312.2872 6.653915
312.7693 6.799698
313.2514 6.944855
313.7335 7.193909
314.2156 7.512947
314.6978 7.804283
315.1799 7.943382
315.6620 8.087044
316.1441 8.328766
316.6262 8.659622
317.1083 9.152519
317.5905 9.927269
318.0726 10.87081
318.5547 11.79799
319.0368 12.70016
319.5189 13.51934
320.0010 14.21710
320.4832 14.78745
320.9653 15.27129
321.4474 15.46468
321.9295 15.64964
322.4116 16.15645
322.8937 17.38194
323.3759 18.63504
323.8580 19.64146
324.3401 20.37234
324.8222 21.36182
325.3043 22.73887
325.7864 24.38725
326.2686 26.21024
326.7507 28.77400
327.2328 30.85052
327.7149 32.03822
328.1970 32.43886
328.6791 33.14426
329.1613 33.96637
329.6434 35.21423
330.1255 37.09698
330.6076 40.91965
331.0897 43.49342
331.5718 44.10589
332.0540 43.48492
332.5361 43.64655
333.0182 44.91399
333.5003 46.36732
333.9824 47.62506
334.4645 48.56512
334.9467 50.08964
335.4288 52.56834
335.9109 55.23410
336.3930 56.93053
336.8751 57.42044
337.3572 57.67889
337.8394 57.96207
338.3215 58.21936
338.8036 58.46854
339.2857 58.83284
339.7678 59.01334
340.2499 58.61324
340.7320 57.55432
341.2141 56.42770
341.6963 55.33885
342.1784 54.29486
342.6605 53.35478
343.1426 52.52808
343.6247 51.77197
344.1068 51.05211
344.5890 50.38095
345.0711 49.85434
345.5532 49.61489
346.0353 49.35732
346.5174 48.39711
346.9995 46.73891
347.4817 44.90231
347.9638 43.02441
348.4459 41.20757
348.9280 39.90311
349.4101 39.21846
349.8922 38.65453
350.3744 37.45879
350.8565 35.82243
351.3386 34.45918
351.8207 34.05022
352.3028 34.02963
352.7849 33.32031
353.2671 31.89235
353.7492 30.53596
354.2313 30.18194
354.7134 30.33894
355.1955 30.13189
355.6776 29.12708
356.1598 27.77422
356.6419 26.31535
357.1240 24.80112
357.6061 23.50272
358.0882 22.79211
358.5703 22.27364
359.0525 21.51893
359.5346 20.20695
360.0167 19.05688
360.4988 18.68646
360.9809 18.87482
361.4630 18.98894
361.9452 18.46913
362.4273 17.85534
362.9094 17.45422
363.3915 17.31866
363.8736 17.38731
364.3557 18.01137
364.8379 18.72449
365.3200 18.97600
365.8021 18.20540
366.2842 17.44483
366.7663 16.98212
367.2484 16.76805
367.7306 16.49395
368.2127 15.97874
368.6948 15.55785
369.1769 15.42534
369.6590 16.27676
370.1411 16.54610
370.6233 15.90660
371.1054 14.59845
371.5875 13.39027
372.0696 12.18935
372.5517 11.21960
373.0338 10.63330
373.5160 10.67955
373.9981 10.36095
374.4802 9.487007
374.9623 8.394386
375.4444 7.658302
375.9265 7.396858
376.4087 7.141640
376.8908 6.759850
377.3729 6.253174
377.8550 5.742622
378.3371 5.256584
378.8192 4.703766
379.3014 3.898636
379.7835 2.808624
380.2656 2.065376
380.7477 1.902504
381.2298 2.054199
381.7119 1.803490
382.1941 1.144638
382.6762 0.4710770
383.1583 3.3020001E-02
383.6404 0.2031630
384.1225 0.3119960
384.6046 0.2700880
385.0868 0.2161030
385.5689 0.3825530
386.0510 0.7048030
386.5331 0.9436420
387.0152 0.8850630
387.4973 0.7195970
387.9795 0.6999510
388.4616 0.8291630
388.9437 1.086510
389.4258 1.785385
389.9079 2.519691
390.3900 2.650078
390.8722 1.482162
391.3543 0.2453690
391.8364 5.7861000E-02
392.3185 0.6218030
392.8006 0.8323210
393.2827 0.4454500
393.7649 1.881729
394.2470 2.383904
394.7291 1.297134
395.2112 0.6215440
395.6933 1.495941
396.1754 3.124313
396.6576 4.315918
397.1397 4.169647
397.6218 4.124542
398.1039 4.785904
398.5860 6.265480
399.0681 7.380013
399.5503 7.804115
400.0324 7.948761
400.5145 8.113007
400.9966 8.299149
401.4787 8.518646
401.9608 8.914589
402.4430 9.360855
402.9251 9.276657
403.4072 8.096436
403.8893 7.249931
404.3714 7.610100
404.8535 9.741386
405.3357 10.65586
405.8178 10.02145
406.2999 8.602821
406.7820 7.348465
407.2641 6.208321
407.7462 5.551811
408.2284 5.702812
408.7105 6.430771
409.1926 6.507973
409.6747 5.867455
410.1568 5.073677
410.6389 4.559875
411.1211 4.305023
411.6032 4.209869
412.0853 4.348297
412.5674 4.457748
413.0495 4.085342
413.5316 3.297905
414.0138 2.451378
414.4959 1.625847
414.9780 0.8947300
415.4601 0.3915630
415.9422 0.1228490
416.4243 5.6499999E-04
416.9065 0.1957400
417.3886 0.4331890
417.8707 0.2807080
418.3528 1.000618
418.8349 2.155807
419.3170 2.278519
419.7992 1.543793
420.2813 0.7789840
420.7634 0.1945270
421.2455 0.2028270
421.7276 0.4063190
422.2097 0.4035420
422.6919 0.2406690
423.1740 0.3280940
423.6561 0.9925770
424.1382 1.290260
424.6203 0.6624220
425.1024 0.1420590
425.5846 5.6244001E-02
426.0667 0.4395450
426.5488 0.6533430
427.0309 0.8656160
427.5130 0.7621610
427.9951 6.2099998E-03
428.4773 2.096878
428.9594 3.264999
429.4415 2.910378
429.9236 1.730080
430.4057 1.693214
430.8878 3.298683
431.3700 4.499161
431.8521 4.085068
432.3342 2.057487
432.8163 1.225067
433.2984 1.827950
433.7805 2.792313
434.2627 2.750809
434.7448 1.829910
435.2269 1.340759
435.7090 1.778290
436.1911 2.669617
436.6732 2.970703
437.1554 2.764336
437.6375 2.716438
438.1196 3.476990
438.6017 4.619850
439.0838 5.416916
439.5659 5.724541
440.0480 5.956238
440.5302 6.440796
441.0123 7.096001
441.4944 7.788322
441.9765 8.644920
442.4586 9.390915
442.9407 9.807144
443.4229 9.906204
443.9050 9.949753
444.3871 9.890099
444.8692 9.941353
445.3513 10.23789
445.8334 10.81919
446.3156 11.58208
446.7977 12.84388
447.2798 14.18362
447.7619 14.89086
448.2440 14.21599
448.7261 13.82038
449.2083 14.07102
449.6904 14.92471
450.1725 15.87160
450.6546 17.02456
451.1367 18.25451
451.6188 19.34596
452.1010 20.20896
452.5831 21.05317
453.0652 21.87680
453.5473 22.77578
454.0294 23.89931
454.5115 25.26756
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