#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:53:25 +0300 (Thu, 07 Jun 2018) $
#$Revision: 992 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000449.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_1000449
loop_
_publ_author_name
'Giuseppetti, G.'
'Tadini, C.'
_publ_section_title
;
 The crystal structure of childrenite from Tavistock (SW England),
 Ch89Eo11 term of childrenite-eosphorite series Note: this is the prefered
 model Locality: Tavistock, SW England
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              263
_journal_page_last               271
_journal_volume                  1984
_journal_year                    1984
_chemical_compound_source        R060146
_chemical_formula_sum            'Al Fe0.89 H4 Mn0.11 O7 P'
_chemical_name_mineral           Childrenite
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'B 2 -2ab'
_symmetry_space_group_name_H-M   'B b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.395
_cell_length_b                   13.394
_cell_length_c                   6.918
_cell_volume                     963.197
_exptl_crystal_density_diffrn    3.168
_cod_original_cell_volume        963.198
_cod_original_formula_sum        '(Fe.89 Mn.11) Al P O7 H4'
_cod_database_code               9009311
_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            R060146.rod
_rod_data_source.block           3500000
_rod_database.code               1000449
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 9009311 COD http://www.crystallography.net/cod/9009311.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
149.5641 0.0000000E+00
150.0462 5.3480002E-03
150.5283 1.331940
151.0105 2.593910
151.4926 2.192960
151.9747 2.441059
152.4568 2.554663
152.9389 2.540999
153.4210 2.018885
153.9032 2.153317
154.3853 2.024643
154.8674 1.790016
155.3495 1.434273
155.8316 0.9771960
156.3138 0.6282350
156.7959 0.2793500
157.2780 0.1040950
157.7601 0.2180100
158.2422 0.3859330
158.7243 0.9847410
159.2065 1.211723
159.6886 0.7897110
160.1707 0.3853610
160.6528 0.2131580
161.1349 0.2027210
161.6170 0.1717680
162.0992 9.0100002E-03
162.5813 0.1699980
163.0634 0.2983020
163.5455 0.4188610
164.0276 0.4126280
164.5097 0.1345290
164.9919 0.3444210
165.4740 0.7504040
165.9561 0.8181530
166.4382 0.8121110
166.9203 0.9769740
167.4025 1.479866
167.8846 2.070129
168.3667 2.609184
168.8488 3.105217
169.3309 3.609131
169.8130 4.132462
170.2952 4.688538
170.7773 5.280136
171.2594 5.770309
171.7415 6.402855
172.2236 7.544151
172.7057 9.154503
173.1879 10.65540
173.6700 11.64319
174.1521 12.22865
174.6342 12.60802
175.1163 12.83492
175.5984 12.90936
176.0806 12.73012
176.5627 12.29259
177.0448 11.93153
177.5269 12.07607
178.0090 12.53424
178.4911 12.85458
178.9733 12.75443
179.4554 12.42465
179.9375 12.11806
180.4196 11.83250
180.9017 11.65484
181.3839 11.75167
181.8660 12.05738
182.3481 12.33960
182.8302 12.43235
183.3123 12.43318
183.7944 12.52396
184.2766 12.69532
184.7587 13.04236
185.2408 13.83569
185.7229 14.98661
186.2050 16.00892
186.6871 16.56004
187.1693 16.77219
187.6514 17.07568
188.1335 17.48667
188.6156 18.00286
189.0977 18.63495
189.5798 19.37807
190.0620 20.21371
190.5441 21.19528
191.0262 22.29242
191.5083 23.25626
191.9904 24.02597
192.4725 24.80191
192.9547 26.06947
193.4368 27.86147
193.9189 29.46027
194.4010 30.31061
194.8831 30.47614
195.3652 30.99728
195.8474 32.03963
196.3295 33.31206
196.8116 34.18893
197.2937 34.62411
197.7758 35.07713
198.2579 35.76640
198.7401 36.69092
199.2222 37.91023
199.7043 39.54087
200.1864 41.31673
200.6685 42.61164
201.1507 43.35567
201.6328 43.90695
202.1149 44.39560
202.5970 44.79288
203.0791 45.45411
203.5612 46.51067
204.0434 47.76343
204.5255 48.62151
205.0076 48.99817
205.4897 49.28522
205.9718 49.77353
206.4539 50.53891
206.9361 51.05302
207.4182 51.16864
207.9003 51.02565
208.3824 50.82317
208.8645 50.55615
209.3466 50.24046
209.8288 49.89452
210.3109 49.53473
210.7930 49.07687
211.2751 48.51987
211.7572 47.85938
212.2393 47.02780
212.7215 45.96436
213.2036 44.89095
213.6857 43.95407
214.1678 43.16180
214.6499 42.39171
215.1321 41.58527
215.6142 40.79819
216.0963 40.32045
216.5784 40.31427
217.0605 40.27208
217.5426 39.83978
218.0248 38.88280
218.5069 37.94535
218.9890 37.03867
219.4711 36.19503
219.9532 35.51565
220.4353 34.98380
220.9175 34.51124
221.3996 34.12473
221.8817 33.85426
222.3638 33.62944
222.8459 33.45296
223.3280 33.31285
223.8102 33.16642
224.2923 33.00137
224.7744 32.84300
225.2565 32.66640
225.7386 32.32620
226.2208 32.31927
226.7029 32.73711
227.1850 33.52917
227.6671 34.45087
228.1492 35.62130
228.6313 36.75168
229.1135 37.65292
229.5956 38.24028
230.0777 38.79730
230.5598 39.29556
231.0419 39.77652
231.5240 40.45968
232.0062 41.42163
232.4883 42.48468
232.9704 43.56767
233.4525 44.74754
233.9346 45.77084
234.4167 46.55466
234.8989 47.15597
235.3810 47.82457
235.8631 48.52463
236.3452 49.34808
236.8273 50.41241
237.3095 52.00741
237.7916 53.17465
238.2737 53.62335
238.7558 53.59130
239.2379 54.14174
239.7200 55.68246
240.2022 57.25194
240.6843 58.27261
241.1664 58.24592
241.6485 58.79749
242.1306 60.28594
242.6127 62.40945
243.0949 63.94290
243.5770 64.59978
244.0591 65.07589
244.5412 65.69895
245.0233 66.47653
245.5054 67.41663
245.9876 68.64306
246.4697 70.01531
246.9518 71.13097
247.4339 71.98206
247.9160 72.59273
248.3981 72.93173
248.8803 72.84691
249.3624 72.88348
249.8445 73.22980
250.3266 73.65350
250.8087 73.50266
251.2909 72.61878
251.7730 71.40977
252.2551 70.06059
252.7372 68.57707
253.2193 66.90648
253.7014 65.06113
254.1836 63.03700
254.6657 60.84473
255.1478 58.48484
255.6299 55.94748
256.1120 53.14335
256.5941 49.93900
257.0763 46.97546
257.5584 44.32404
258.0405 41.83780
258.5226 39.23773
259.0047 36.37775
259.4868 33.66245
259.9690 31.29954
260.4511 29.38090
260.9332 27.40881
261.4153 25.36751
261.8974 23.26195
262.3795 21.08374
262.8617 18.68400
263.3438 16.52409
263.8259 14.76884
264.3080 13.47641
264.7901 12.21033
265.2722 10.88200
265.7544 9.683388
266.2365 9.061783
266.7186 9.341858
267.2007 9.197510
267.6829 8.082611
268.1650 5.905846
268.6471 4.102898
269.1292 2.682083
269.6113 1.567062
270.0934 0.6685410
270.5756 1.5991000E-02
271.0577 0.4987870
271.5398 0.7296600
272.0219 0.7200010
272.5040 0.8053050
272.9861 1.026016
273.4683 1.270531
273.9504 1.415085
274.4325 1.429970
274.9146 1.409821
275.3967 1.417976
275.8788 1.441048
276.3610 1.498512
276.8431 1.651253
277.3252 1.615250
277.8073 0.9603200
278.2894 0.3937070
278.7715 1.392044
279.2537 1.689896
279.7358 1.496597
280.2179 1.769958
280.7000 2.603058
281.1821 3.481377
281.6642 3.944183
282.1464 3.993614
282.6285 4.166023
283.1106 4.532166
283.5927 5.068146
284.0748 5.785004
284.5569 6.704338
285.0391 7.599144
285.5212 8.186447
286.0033 8.529137
286.4854 9.316429
286.9675 10.68343
287.4496 12.28638
287.9318 13.38725
288.4139 14.03577
288.8960 14.59680
289.3781 15.41214
289.8602 16.42053
290.3424 17.25367
290.8245 17.91566
291.3066 18.46764
291.7887 19.08024
292.2708 19.75890
292.7530 20.54168
293.2351 21.62773
293.7172 22.87169
294.1993 23.52859
294.6814 23.48453
295.1635 23.39652
295.6457 24.18546
296.1278 25.66080
296.6099 27.16608
297.0920 28.48887
297.5741 29.57845
298.0562 30.30811
298.5384 30.61096
299.0205 30.77724
299.5026 31.03320
299.9847 31.35863
300.4668 31.70831
300.9489 32.10416
301.4311 32.48863
301.9132 32.76323
302.3953 32.93336
302.8774 33.05994
303.3595 33.18826
303.8416 33.30185
304.3238 33.37126
304.8059 33.39771
305.2880 33.36860
305.7701 33.29915
306.2522 33.18061
306.7343 32.94839
307.2165 32.46027
307.6986 31.86275
308.1807 31.36243
308.6628 31.10982
309.1449 30.78671
309.6270 30.01070
310.1092 28.91798
310.5913 27.97356
311.0734 27.60464
311.5555 27.39861
312.0376 27.01737
312.5197 26.39674
313.0019 25.60127
313.4840 24.51290
313.9661 23.26913
314.4482 22.14103
314.9304 21.42232
315.4125 20.72899
315.8946 19.81435
316.3767 18.60649
316.8588 17.38621
317.3409 16.10060
317.8231 14.90557
318.3052 14.00974
318.7873 13.94067
319.2694 13.76598
319.7515 12.85456
320.2336 11.08772
320.7158 9.472641
321.1979 9.439354
321.6800 9.157623
322.1621 8.640663
322.6442 7.184479
323.1263 6.940773
323.6085 6.210915
324.0906 5.461021
324.5727 5.387596
325.0548 4.067329
325.5369 4.039917
326.0190 3.742355
326.5012 3.839867
326.9833 3.866814
327.4654 3.841522
327.9475 3.734779
328.4296 3.413635
328.9117 2.552437
329.3939 1.754120
329.8760 1.286865
330.3581 1.442070
330.8402 1.355125
331.3223 0.8010410
331.8044 6.6680998E-02
332.2866 0.2406770
332.7687 0.2004620
333.2508 0.5991440
333.7329 0.6969300
334.2150 0.4293750
334.6971 0.1349870
335.1793 0.2174380
335.6614 0.5158390
336.1435 0.6206130
336.6256 0.5616000
337.1077 0.4424970
337.5899 0.2383040
338.0720 4.1908000E-02
338.5541 9.4292000E-02
339.0362 0.1457140
339.5183 0.4598240
340.0005 0.6844790
340.4826 0.8338320
340.9647 0.7650150
341.4468 0.3442310
341.9289 0.2533040
342.4110 0.3839800
342.8932 2.1438999E-02
343.3753 0.4532170
343.8574 1.035851
344.3395 0.3982390
344.8216 9.4680004E-03
345.3037 0.1440280
345.7859 0.6416780
346.2680 0.2152940
346.7501 0.2751920
347.2322 0.3553470
347.7143 0.2407000
348.1964 0.4100650
348.6786 0.1747510
349.1607 0.2660680
349.6428 0.5831070
350.1249 0.4111250
350.6070 0.3900830
351.0891 0.3255460
351.5713 0.2440800
352.0534 0.5652390
352.5355 0.6512830
353.0176 0.2017820
353.4997 0.1575470
353.9818 3.0815000E-02
354.4640 0.1159290
354.9461 0.4137340
355.4282 0.3033520
355.9103 0.2152860
356.3924 0.2404940
356.8745 0.4914630
357.3567 0.2534260
357.8388 0.1663740
358.3209 0.5683820
358.8030 0.6995320
359.2851 0.4050370
359.7672 0.6701130
360.2494 6.4673997E-02
360.7315 7.7826999E-02
361.2136 0.5988240
361.6957 0.3286970
362.1779 0.1107250
362.6600 7.4805997E-02
363.1421 0.3781660
363.6242 0.7944950
364.1063 0.9443970
364.5884 1.028847
365.0706 1.252007
365.5527 1.906631
366.0348 2.438347
366.5169 2.674339
366.9990 2.629196
367.4811 2.598358
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368.4454 2.532997
368.9275 2.692001
369.4096 3.351974
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370.3738 3.420097
370.8560 2.826530
371.3381 2.593864
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372.3023 3.325394
372.7844 3.709297
373.2665 4.038109
373.7487 4.405396
374.2308 4.892082
374.7129 5.336975
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376.6414 4.850204
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385.3195 10.82452
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386.7658 12.50070
387.2480 12.37654
387.7301 12.49429
388.2122 12.85773
388.6943 13.33546
389.1764 13.87717
389.6585 14.43166
390.1407 14.97019
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391.1049 16.13940
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399.3009 18.63607
399.7830 17.86520
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402.1936 17.42339
402.6757 17.81628
403.1578 17.07255
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437.8703 8.509766
438.3524 8.669655
438.8345 8.911575
439.3166 9.263100
439.7987 9.730141
440.2809 10.43798
440.7630 11.24355
441.2451 11.91692
441.7272 12.18530
442.2093 12.45979
442.6914 12.95928
443.1736 13.66448
443.6557 14.42909
444.1378 15.18830
444.6199 16.00272
445.1020 16.90045
445.5841 17.85954
446.0663 18.95151
446.5484 20.31953
447.0305 21.79932
447.5126 23.12021
447.9947 24.07600
448.4768 25.10102
448.9590 26.30255
449.4411 27.67869
449.9232 29.10392
450.4053 30.67899
450.8874 32.17672
451.3695 33.33831
451.8517 34.03358
452.3338 35.02556
452.8159 36.42651
453.2980 38.10054
453.7801 39.82779
454.2622 41.59485
454.7444 43.36110
455.2265 45.04893
455.7086 46.72844
456.1907 48.59215
456.6729 50.66563
457.1550 52.79186
457.6371 54.95554
458.1192 57.10764
458.6013 59.17683
459.0834 61.13000
459.5656 62.92416
460.0477 64.52071
460.5298 65.95644
461.0119 67.24200
461.4940 68.36681
461.9761 69.32550
462.4583 70.12675
462.9404 70.79280
463.4225 71.34431
463.9046 72.00982
464.3867 72.43697
464.8688 72.28316
465.3510 71.12811
465.8331 69.77914
466.3152 68.41491
466.7973 67.00842
467.2794 65.42580
467.7615 63.38832
468.2437 61.37093
468.7258 59.54050
469.2079 57.99139
469.6900 56.34221
470.1721 54.49876
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