#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:27:12 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1103 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000536.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_1000536
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 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            R060146.rod
_rod_data_source.block           3500000
_rod_database.code               1000536
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
149.8793 0.0000000E+00
150.3615 0.2534180
150.8436 5.5390000E-03
151.3257 0.6654970
151.8078 1.829742
152.2899 2.588440
152.7720 3.056427
153.2542 2.741033
153.7363 3.014916
154.2184 3.116936
154.7005 3.056327
155.1826 2.346001
155.6647 2.474651
156.1469 2.267055
156.6290 2.045695
157.1111 2.292428
157.5932 1.676603
158.0753 2.029327
158.5574 1.840118
159.0396 1.169418
159.5217 9.2285000E-02
160.0038 0.8093570
160.4859 0.6845090
160.9680 0.3707120
161.4501 8.9890003E-02
161.9323 0.1306610
162.4144 0.3704380
162.8965 0.7330320
163.3786 1.303711
163.8607 1.565384
164.3428 1.234207
164.8250 0.8174740
165.3071 0.6746220
165.7892 0.8618470
166.2713 1.215286
166.7534 1.563171
167.2355 1.902786
167.7177 2.255997
168.1998 2.609085
168.6819 2.984940
169.1640 3.423874
169.6461 3.944427
170.1282 4.486694
170.6104 4.910309
171.0925 5.227829
171.5746 5.713699
172.0567 6.655182
172.5388 7.866287
173.0209 8.763840
173.5031 9.074936
173.9852 9.271896
174.4673 9.933105
174.9494 10.99000
175.4315 11.78491
175.9136 11.68570
176.3958 10.72725
176.8779 9.944824
177.3600 9.499695
177.8421 9.276520
178.3242 9.259491
178.8063 9.427048
179.2885 9.678116
179.7706 9.939621
180.2527 10.23492
180.7348 10.43613
181.2169 10.41223
181.6990 10.38539
182.1812 10.48369
182.6633 10.72174
183.1454 11.01677
183.6275 11.22321
184.1096 11.17151
184.5917 11.41278
185.0738 12.30138
185.5560 13.19725
186.0381 13.54057
186.5202 13.23315
187.0023 12.70842
187.4844 12.70880
187.9665 13.64604
188.4487 14.50896
188.9308 15.17735
189.4129 15.82698
189.8950 16.74300
190.3771 18.00560
190.8592 19.25935
191.3414 19.73793
191.8235 18.76527
192.3056 18.29800
192.7877 18.73853
193.2698 19.74301
193.7519 20.87645
194.2341 21.99297
194.7162 23.16635
195.1983 24.65227
195.6804 26.62054
196.1625 28.29373
196.6446 29.35806
197.1268 29.95973
197.6089 30.40350
198.0910 30.73512
198.5731 31.03050
199.0552 31.36830
199.5373 31.71347
200.0195 32.23750
200.5016 33.12343
200.9837 34.30812
201.4658 35.47279
201.9479 36.60442
202.4300 37.58804
202.9122 38.29051
203.3943 38.69203
203.8764 39.01704
204.3585 39.45625
204.8406 40.00990
205.3227 40.49150
205.8048 40.83247
206.2870 41.09456
206.7691 41.32918
207.2512 41.54106
207.7333 41.65382
208.2154 41.65164
208.6975 41.53510
209.1797 41.31778
209.6618 40.96294
210.1439 40.52058
210.6260 40.01067
211.1081 39.43674
211.5902 38.78909
212.0724 38.10059
212.5545 37.48114
213.0366 36.46780
213.5187 34.56033
214.0008 32.62653
214.4829 31.06758
214.9651 30.01859
215.4472 29.17911
215.9293 29.13271
216.4114 28.91446
216.8935 28.53358
217.3756 27.50298
217.8578 27.31126
218.3399 26.78341
218.8220 26.24178
219.3041 26.16825
219.7862 25.23215
220.2683 25.15119
220.7505 24.72877
221.2326 24.46268
221.7147 23.85830
222.1968 23.35842
222.6789 22.81273
223.1610 22.35849
223.6432 21.95233
224.1253 21.57985
224.6074 21.31035
225.0895 21.10707
225.5716 21.02219
226.0537 21.18607
226.5358 21.61571
227.0180 22.06003
227.5001 22.10359
227.9822 21.48010
228.4643 21.34521
228.9464 22.04123
229.4285 23.13353
229.9107 24.20618
230.3928 25.16916
230.8749 26.06163
231.3570 26.92021
231.8391 27.74712
232.3212 28.53003
232.8034 29.21019
233.2855 29.86520
233.7676 30.59273
234.2497 31.41333
234.7318 32.28836
235.2139 33.15932
235.6961 34.03023
236.1782 35.02811
236.6603 36.30104
237.1424 37.68439
237.6245 38.91531
238.1066 39.93509
238.5888 40.91199
239.0709 42.07712
239.5530 43.35352
240.0351 44.48804
240.5172 45.06317
240.9993 45.50584
241.4815 46.76083
241.9636 49.18504
242.4457 51.64847
242.9278 53.15099
243.4099 54.07559
243.8920 55.19920
244.3742 56.87338
244.8563 58.95885
245.3384 61.21729
245.8205 63.80093
246.3026 66.19673
246.7847 67.99374
247.2668 69.44308
247.7490 70.94576
248.2311 72.77446
248.7132 74.72490
249.1953 76.38609
249.6774 77.87572
250.1595 78.76683
250.6417 78.69228
251.1238 78.05656
251.6059 77.34201
252.0880 76.75523
252.5701 76.23665
253.0522 75.69839
253.5344 75.39519
254.0165 74.52751
254.4986 72.92197
254.9807 70.71466
255.4628 67.94180
255.9449 64.57562
256.4271 60.85439
256.9092 57.27090
257.3913 53.78409
257.8734 50.57062
258.3555 47.66550
258.8376 44.99211
259.3198 42.53317
259.8019 40.29573
260.2840 38.11603
260.7661 35.57066
261.2482 32.13708
261.7303 29.37605
262.2125 27.76241
262.6946 26.57095
263.1767 25.23199
263.6588 23.55161
264.1409 21.70123
264.6230 19.97243
265.1052 18.45470
265.5873 16.88141
266.0694 15.21715
266.5515 13.52206
267.0336 11.85179
267.5157 10.22005
267.9979 8.591049
268.4800 6.860672
268.9621 4.728226
269.4442 3.218170
269.9263 2.560745
270.4084 2.223938
270.8906 1.999435
271.3727 1.791260
271.8548 1.477280
272.3369 0.8691250
272.8190 0.2106320
273.3011 0.9567870
273.7833 1.222137
274.2654 1.303787
274.7475 1.347198
275.2296 1.392487
275.7117 1.430313
276.1938 1.451706
276.6760 1.492508
277.1581 1.322159
277.6402 0.8315280
278.1223 0.3149720
278.6044 1.8951001E-02
279.0865 0.1397860
279.5686 0.5180210
280.0508 1.478546
280.5329 3.058319
281.0150 3.903732
281.4971 3.281799
281.9792 2.790619
282.4613 3.118774
282.9435 4.053909
283.4256 5.027618
283.9077 5.674377
284.3898 6.027054
284.8719 6.435120
285.3540 7.132980
285.8362 7.654602
286.3183 7.604965
286.8004 7.327698
287.2825 7.470657
287.7646 8.401657
288.2467 9.874146
288.7289 11.03819
289.2110 11.78206
289.6931 12.35913
290.1752 12.57404
290.6573 12.71262
291.1394 13.27287
291.6216 14.47333
292.1037 15.90033
292.5858 16.67902
293.0679 16.32797
293.5500 16.26610
294.0321 16.76324
294.5143 17.55983
294.9964 18.46153
295.4785 19.41588
295.9606 20.24048
296.4427 20.60777
296.9248 20.21121
297.4070 20.32982
297.8891 21.47015
298.3712 22.86707
298.8533 23.84450
299.3354 24.30138
299.8175 24.54672
300.2997 24.85306
300.7818 25.22385
301.2639 25.73596
301.7460 26.84109
302.2281 27.73186
302.7102 27.53745
303.1924 26.40364
303.6745 25.57384
304.1566 26.14597
304.6387 28.01588
305.1208 28.95319
305.6029 28.32741
306.0851 27.48624
306.5672 27.06136
307.0493 26.98518
307.5314 26.94931
308.0135 26.78619
308.4956 26.50914
308.9778 26.21385
309.4599 25.93085
309.9420 25.60152
310.4241 25.30234
310.9062 24.93771
311.3883 24.26488
311.8705 23.14145
312.3526 21.80487
312.8347 20.81320
313.3168 20.26892
313.7989 19.74519
314.2810 19.17352
314.7632 18.57286
315.2453 17.95334
315.7274 17.31857
316.2095 16.69531
316.6916 16.14362
317.1737 15.71240
317.6559 15.11104
318.1380 14.35469
318.6201 13.39563
319.1022 11.97842
319.5843 10.11850
320.0664 8.508591
320.5485 7.903091
321.0306 8.410309
321.5128 8.400696
321.9949 7.525269
322.4770 6.445679
322.9591 5.517670
323.4412 4.757553
323.9233 4.068008
324.4055 3.378738
324.8876 2.711960
325.3697 2.245178
325.8518 1.940948
326.3339 1.833481
326.8160 2.110672
327.2982 2.591156
327.7803 2.880508
328.2624 2.785767
328.7445 2.416412
329.2266 2.054626
329.7087 1.765564
330.1909 1.371353
330.6730 0.5928960
331.1551 0.2389220
331.6372 0.5596010
332.1193 0.1946260
332.6014 0.3621670
333.0836 0.3809660
333.5657 0.3811950
334.0478 0.9961850
334.5299 1.469223
335.0120 1.755356
335.4941 1.751099
335.9763 1.473862
336.4584 1.105530
336.9405 0.7853240
337.4226 0.5117490
337.9047 0.4322510
338.3868 0.8333590
338.8690 1.139343
339.3511 0.9502260
339.8332 0.3935390
340.3153 9.4329998E-02
340.7974 0.2191770
341.2795 5.8899000E-02
341.7617 0.1153870
342.2438 0.7146610
342.7259 1.116028
343.2080 1.016479
343.6901 0.6496730
344.1722 0.3672180
344.6544 0.3162230
345.1365 0.3950040
345.6186 0.3908690
346.1007 0.1505280
346.5828 6.9778003E-02
347.0649 0.3210750
347.5471 0.6349180
348.0292 0.7314150
348.5113 0.5779570
348.9934 0.3885190
349.4755 0.4100650
349.9576 0.6580960
350.4398 1.097061
350.9219 1.989319
351.4040 2.805252
351.8861 3.184494
352.3682 3.217224
352.8503 3.250656
353.3325 3.554077
353.8146 4.103897
354.2967 4.537598
354.7788 4.893219
355.2609 5.089508
355.7430 5.168610
356.2252 5.060699
356.7073 4.574173
357.1894 3.609970
357.6715 2.442047
358.1536 1.761139
358.6357 1.953293
359.1179 2.079941
359.5999 2.080612
360.0821 2.024765
360.5642 1.943298
361.0463 1.855606
361.5284 1.808731
362.0105 1.899826
362.4926 2.240921
362.9748 2.275681
363.4569 1.702744
363.9390 1.128098
364.4211 0.7193300
364.9032 0.5236820
365.3853 0.5949860
365.8675 1.007294
366.3496 1.732895
366.8317 2.419266
367.3138 3.169342
367.7959 3.710861
368.2780 3.826172
368.7602 3.772858
369.2423 3.892410
369.7244 4.337463
370.2065 4.907043
370.6886 5.174881
371.1707 5.001968
371.6529 4.929626
372.1350 5.107437
372.6171 5.348190
373.0992 5.529526
373.5813 5.636215
374.0634 5.738190
374.5456 5.865189
375.0277 6.009064
375.5098 6.360184
375.9919 7.182281
376.4740 7.927429
376.9561 8.335739
377.4383 8.478394
377.9204 8.505707
378.4025 8.390289
378.8846 8.283447
379.3667 8.702240
379.8488 9.919479
380.3310 10.95261
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382.2594 11.38264
382.7415 11.59355
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384.1879 13.18150
384.6700 13.64272
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386.1164 15.36627
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388.0448 17.08701
388.5269 17.47818
389.0091 17.68430
389.4912 17.34462
389.9733 16.76489
390.4554 16.56184
390.9375 16.96794
391.4196 17.59718
391.9018 18.22879
392.3839 18.85793
392.8660 19.35573
393.3481 19.63853
393.8302 19.82350
394.3123 20.14917
394.7945 20.69749
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395.7587 21.06476
396.2408 20.78816
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397.2050 21.06277
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398.6514 20.75354
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400.0977 20.30077
400.5798 20.20120
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402.0262 19.78014
402.5083 19.83369
402.9904 19.61807
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403.9547 18.30455
404.4368 17.67818
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407.8116 12.35350
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422.2751 0.7113650
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438.6671 6.783295
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439.6313 7.260239
440.1134 7.546371
440.5955 8.039291
441.0776 8.622620
441.5598 9.380630
442.0418 10.17465
442.5240 10.77518
443.0061 11.15920
443.4882 11.63363
443.9703 12.67296
444.4524 14.50159
444.9345 15.85362
445.4167 15.94267
445.8988 16.32790
446.3809 17.74588
446.8630 19.85277
447.3451 21.96155
447.8272 23.67303
448.3094 25.12947
448.7915 26.70596
449.2736 28.48399
449.7557 30.14258
450.2378 31.55789
450.7199 32.86156
451.2021 34.09251
451.6842 35.27355
452.1663 36.53552
452.6484 37.87529
453.1305 39.33659
453.6126 41.16003
454.0948 43.53207
454.5769 45.83275
455.0590 47.32571
455.5411 48.49467
456.0232 50.22975
456.5053 52.84620
456.9875 55.90636
457.4696 59.18108
457.9517 62.62057
458.4338 66.07639
458.9159 69.48476
459.3980 72.91698
459.8802 76.53145
460.3623 80.34967
460.8444 84.06963
461.3265 87.83543
461.8086 91.38544
462.2907 94.48269
462.7729 97.06870
463.2550 99.19941
463.7371 101.0242
464.2192 102.4183
464.7013 102.5570
465.1834 100.8419
465.6656 98.65997
466.1477 96.40485
466.6298 93.73460
467.1119 89.90488
467.5940 84.87291
468.0761 79.80872
468.5583 76.22168
469.0404 74.39850
469.5225 72.04263
470.0046 68.54892
470.4867 65.15346
470.9688 62.19614
471.4510 59.58459
471.9331 57.15372
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