#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-04-26 13:45:06 +0300 (Thu, 26 Apr 2018) $
#$Revision: 558 $
#$URL: svn://172.16.1.111/rod/cif/1/00/01/1000104.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_1000104
loop_
_publ_author_name
'Kampf, A. R.'
'Yang, H.'
'Downs, R. T.'
'Pinch, W. W.'
_publ_section_title
;
 The crystal structures and Raman spectra of aravaipaite and
 calcioaravaipaite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              402
_journal_page_last               407
_journal_paper_doi               10.2138/am.2011.3620
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source
'Grand Reef mine, Aravaipa mining district, Arizona, USA'
_chemical_formula_sum            'Al F9 H2 O Pb3'
_chemical_name_mineral           Aravaipaite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.725
_cell_angle_beta                 94.020
_cell_angle_gamma                90.683
_cell_length_a                   5.6637
_cell_length_b                   5.8659
_cell_length_c                   12.7041
_cell_volume                     416.045
_exptl_crystal_density_diffrn    6.686
_cod_original_formula_sum        'Pb3 Al F9 O H2'
_cod_database_code               9014374
_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            R100004.rod
_rod_data_source.block           3500000
_rod_database.code               1000104
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 9014374 COD http://www.crystallography.net/cod/9014374.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
120.9423 0.0000000E+00
121.4244 0.6726990
121.9066 1.031189
122.3887 0.3493650
122.8708 9.0301998E-02
123.3529 7.7941999E-02
123.8350 0.1075440
124.3171 0.3848570
124.7993 0.7160030
125.2814 1.029938
125.7635 1.238770
126.2456 1.289154
126.7277 1.475586
127.2098 1.710510
127.6920 2.112671
128.1741 2.861877
128.6562 4.020355
129.1383 5.352753
129.6204 6.570465
130.1025 7.688049
130.5847 8.847839
131.0668 10.28561
131.5489 11.84921
132.0310 13.00519
132.5131 13.58203
132.9952 13.73062
133.4774 13.47754
133.9595 12.83994
134.4416 12.35815
134.9237 12.66687
135.4058 13.92404
135.8879 14.89615
136.3701 15.16614
136.8522 15.20190
137.3343 15.20987
137.8164 15.25015
138.2985 15.31848
138.7806 15.45734
139.2628 15.95380
139.7449 15.94302
140.2270 14.89532
140.7091 13.60281
141.1912 12.83508
141.6733 12.94159
142.1555 13.61850
142.6376 13.83075
143.1197 13.13736
143.6018 12.42426
144.0839 11.60431
144.5660 10.83716
145.0482 10.43204
145.5303 10.63315
146.0124 11.29559
146.4945 11.32224
146.9766 10.35373
147.4587 9.262695
147.9409 8.287720
148.4230 7.460510
148.9051 6.890808
149.3872 6.772278
149.8693 6.997070
150.3514 6.884460
150.8336 6.068176
151.3157 5.131409
151.7978 4.580353
152.2799 4.444641
152.7620 4.535370
153.2441 4.899475
153.7263 5.389404
154.2084 5.746124
154.6905 5.879852
155.1726 5.818604
155.6547 5.605957
156.1368 5.033905
156.6190 4.779968
157.1011 5.273773
157.5832 6.275208
158.0653 7.318329
158.5474 8.085724
159.0295 8.603973
159.5117 9.251770
159.9938 10.27417
160.4759 11.14804
160.9580 11.61478
161.4401 11.78406
161.9222 11.96970
162.4044 12.47614
162.8865 13.30179
163.3686 14.01764
163.8507 14.95901
164.3328 15.52722
164.8149 15.19473
165.2971 14.08698
165.7792 12.87473
166.2613 12.34869
166.7434 12.81784
167.2255 13.15323
167.7076 13.21774
168.1898 13.26501
168.6719 13.47006
169.1540 13.86917
169.6361 14.38458
170.1182 14.89484
170.6003 15.31760
171.0825 15.99301
171.5646 17.43811
172.0467 18.95206
172.5288 19.56171
173.0109 18.90424
173.4930 17.82712
173.9752 17.79880
174.4573 18.88654
174.9394 19.99265
175.4215 20.96878
175.9036 21.73364
176.3857 22.07364
176.8679 21.85086
177.3500 21.26678
177.8321 20.58179
178.3142 19.78021
178.7963 18.90326
179.2784 18.16391
179.7606 17.53763
180.2427 16.92178
180.7248 16.40060
181.2069 15.76294
181.6890 14.77402
182.1711 13.39609
182.6533 11.96414
183.1354 10.78406
183.6175 9.875916
184.0996 9.066345
184.5817 8.616547
185.0638 8.066589
185.5460 7.082001
186.0281 5.599579
186.5102 3.898438
186.9923 2.270935
187.4744 0.5396730
187.9565 0.5956730
188.4387 0.8432010
188.9208 0.6878050
189.4029 0.3419490
189.8850 0.1005860
190.3671 0.4996950
190.8492 0.5487670
191.3314 0.1591800
191.8135 0.5493160
192.2956 0.5810240
192.7777 0.3002620
193.2598 0.4521790
193.7419 1.709686
194.2241 3.066772
194.7062 3.545044
195.1883 1.909912
195.6704 0.7626950
196.1525 0.5090330
196.6346 0.6614070
197.1168 0.6026920
197.5989 5.4047000E-02
198.0810 0.7352910
198.5631 1.025177
199.0452 0.4291380
199.5273 0.1146550
200.0095 0.4950260
200.4916 0.7245480
200.9737 0.8338320
201.4558 0.8424990
201.9379 0.7192690
202.4200 0.2801510
202.9022 0.9533080
203.3843 1.653168
203.8664 0.9061280
204.3485 0.8019100
204.8306 2.110016
205.3127 2.363617
205.7949 1.931702
206.2770 1.698334
206.7591 1.747528
207.2412 1.788330
207.7233 1.600983
208.2054 1.226868
208.6876 0.9297490
209.1697 0.7756650
209.6518 0.8026120
210.1339 1.036316
210.6160 1.514893
211.0981 2.097198
211.5803 2.667084
212.0624 3.224243
212.5445 3.853729
213.0266 4.564850
213.5087 5.386871
213.9908 6.376678
214.4730 7.561798
214.9551 8.800690
215.4372 9.871521
215.9193 10.71902
216.4014 11.76859
216.8836 13.12122
217.3657 14.75098
217.8478 16.76810
218.3299 19.19891
218.8120 21.76086
219.2941 24.02969
219.7763 25.89108
220.2584 27.82706
220.7405 30.17578
221.2226 32.47702
221.7047 34.27856
222.1868 35.48303
222.6690 36.56561
223.1511 38.29642
223.6332 40.92960
224.1153 43.69113
224.5974 46.66699
225.0795 49.61423
225.5617 52.37347
226.0438 54.89511
226.5259 57.21008
227.0080 59.35736
227.4901 61.22794
227.9722 63.10983
228.4544 65.06100
228.9365 67.00000
229.4186 68.88190
229.9007 70.68213
230.3828 72.36301
230.8649 73.83664
231.3471 74.96384
231.8292 76.09232
232.3113 77.15656
232.7934 78.25449
233.2755 79.59915
233.7576 81.20569
234.2398 82.73611
234.7219 83.59341
235.2040 83.17465
235.6861 83.11942
236.1682 84.07306
236.6503 85.03683
237.1325 84.88675
237.6146 83.38519
238.0967 81.47702
238.5788 80.63483
239.0609 81.68359
239.5430 81.86383
240.0252 80.47757
240.5073 78.47485
240.9894 76.77979
241.4715 75.60324
241.9536 74.65695
242.4357 73.59137
242.9179 72.43750
243.4000 71.01364
243.8821 68.91711
244.3642 66.72556
244.8463 65.19904
245.3284 64.50870
245.8106 63.96530
246.2927 62.72925
246.7748 60.78235
247.2569 58.84976
247.7390 57.01593
248.2211 55.24530
248.7033 53.44345
249.1854 51.56934
249.6675 49.83667
250.1496 48.54288
250.6317 47.61621
251.1138 46.69046
251.5960 45.58606
252.0781 44.47891
252.5602 43.63492
253.0423 43.12766
253.5244 42.64032
254.0065 41.80597
254.4887 40.76981
254.9708 39.94754
255.4529 39.60861
255.9350 39.47247
256.4171 39.07935
256.8992 38.32776
257.3813 37.78714
257.8635 38.26193
258.3456 39.20172
258.8277 39.63593
259.3098 38.86877
259.7919 37.69934
260.2740 37.43744
260.7562 38.32971
261.2383 39.00314
261.7204 38.45679
262.2025 37.29205
262.6846 36.17822
263.1667 35.35687
263.6489 34.60739
264.1310 33.50360
264.6131 31.90253
265.0952 30.56894
265.5773 30.25507
266.0594 30.23251
266.5416 29.78598
267.0237 28.65604
267.5058 27.24326
267.9879 26.11115
268.4700 25.35788
268.9521 24.44604
269.4343 22.92194
269.9164 21.29889
270.3985 20.04251
270.8806 19.29581
271.3627 18.65561
271.8448 17.55963
272.3270 15.89279
272.8091 14.35742
273.2912 13.15518
273.7733 12.14029
274.2554 11.21957
274.7375 10.35089
275.2197 9.547333
275.7018 8.847748
276.1839 8.306732
276.6660 7.726959
277.1481 6.609589
277.6302 5.742035
278.1124 5.706116
278.5945 6.407166
279.0766 7.139984
279.5587 7.176086
280.0408 6.409027
280.5229 5.738159
281.0051 5.396606
281.4872 5.009628
281.9693 4.202789
282.4514 3.158524
282.9335 2.462723
283.4156 2.820267
283.8978 4.245697
284.3799 4.919769
284.8620 4.205627
285.3441 3.491150
285.8262 3.207214
286.3083 3.304733
286.7905 3.598740
287.2726 4.095200
287.7547 4.748230
288.2368 4.783829
288.7189 3.416214
289.2010 2.341797
289.6832 2.263977
290.1653 2.712997
290.6474 2.912521
291.1295 2.368423
291.6116 1.354660
292.0938 1.044403
292.5759 2.306030
293.0580 3.030975
293.5401 2.519684
294.0222 1.418732
294.5043 0.4082180
294.9865 0.2152560
295.4686 0.5275730
295.9507 0.7179870
296.4328 0.8512570
296.9149 0.7044370
297.3970 0.9451120
297.8792 1.239776
298.3613 1.374405
298.8434 2.069077
299.3255 2.687012
299.8076 3.180298
300.2897 3.460297
300.7719 3.814133
301.2540 4.499069
301.7361 5.075699
302.2182 5.160614
302.7003 4.748550
303.1824 4.219650
303.6646 4.050674
304.1467 4.378510
304.6288 4.579224
305.1109 4.454086
305.5930 4.378860
306.0751 4.576614
306.5573 5.006989
307.0394 5.447113
307.5215 5.634949
308.0036 5.519196
308.4857 5.904785
308.9678 7.552750
309.4500 8.970276
309.9321 9.616425
310.4142 9.699402
310.8963 9.682297
311.3784 9.853653
311.8605 10.20932
312.3427 10.73387
312.8248 11.90344
313.3069 12.66658
313.7890 12.46919
314.2711 11.87289
314.7532 11.64206
315.2354 12.17235
315.7175 13.16515
316.1996 13.75945
316.6817 13.71564
317.1638 13.62183
317.6459 13.57288
318.1281 13.49742
318.6102 13.33238
319.0923 13.05791
319.5744 12.69949
320.0565 12.30852
320.5386 11.93626
321.0208 11.40144
321.5029 10.46399
321.9850 9.561783
322.4671 9.019653
322.9492 8.836212
323.4313 8.741531
323.9135 8.480621
324.3956 8.090012
324.8777 7.322540
325.3598 5.359177
325.8419 3.771393
326.3240 3.435059
326.8062 4.038116
327.2883 4.608398
327.7704 4.344818
328.2525 3.312531
328.7346 2.664078
329.2167 2.921722
329.6989 2.979126
330.1810 2.339417
330.6631 1.382782
331.1452 0.7176970
331.6273 0.6971440
332.1094 1.088013
332.5916 1.184509
333.0737 0.9854890
333.5558 0.4481200
334.0379 0.9726260
334.5200 2.408234
335.0021 2.878464
335.4843 2.096100
335.9664 0.8264920
336.4485 0.3500980
336.9306 1.007523
337.4127 1.445862
337.8948 1.289139
338.3770 1.077652
338.8591 1.203995
339.3412 1.658981
339.8233 2.077347
340.3055 2.135941
340.7876 1.830307
341.2697 1.178406
341.7518 0.5539400
342.2339 1.899414
342.7160 1.912720
343.1982 1.062302
343.6803 0.5323330
344.1624 1.272980
344.6445 2.954346
345.1266 3.869171
345.6087 3.526489
346.0909 3.189377
346.5730 3.165344
347.0551 3.422302
347.5372 3.987869
348.0193 4.933929
348.5014 5.990036
348.9836 6.674103
349.4657 6.930679
349.9478 6.992355
350.4299 6.625214
350.9120 6.265182
351.3941 6.182465
351.8763 6.433426
352.3584 7.037384
352.8405 8.173492
353.3226 9.867706
353.8047 11.25294
354.2868 12.09515
354.7690 12.72173
355.2511 13.25821
355.7332 13.73848
356.2153 14.30617
356.6974 15.19589
357.1795 16.27631
357.6617 16.92679
358.1438 16.80725
358.6259 16.94850
359.1080 18.23842
359.5901 20.10425
360.0722 21.64104
360.5544 22.47704
361.0365 22.89626
361.5186 23.14474
362.0007 23.15312
362.4828 23.56102
362.9649 24.98271
363.4471 26.75108
363.9292 28.12231
364.4113 28.98866
364.8934 29.64227
365.3755 30.34636
365.8576 31.04810
366.3398 31.43651
366.8219 31.34193
367.3040 31.05247
367.7861 30.81219
368.2682 30.62617
368.7503 30.59882
369.2325 31.08691
369.7146 31.66057
370.1967 31.42969
370.6788 30.19261
371.1609 28.93738
371.6430 28.54930
372.1252 28.76967
372.6073 28.73972
373.0894 28.45363
373.5715 27.80109
374.0536 26.37045
374.5357 24.34087
375.0179 22.81921
375.5000 22.55550
375.9821 22.96155
376.4642 22.54166
376.9463 20.81783
377.4284 19.47900
377.9106 19.36708
378.3927 20.00540
378.8748 20.62637
379.3569 21.03790
379.8390 21.31050
380.3211 21.50536
380.8033 21.60092
381.2854 21.75465
381.7675 22.18939
382.2496 22.55013
382.7317 22.33791
383.2138 21.64035
383.6960 21.13570
384.1781 21.35008
384.6602 22.24696
385.1423 23.16118
385.6244 24.28745
386.1065 25.20107
386.5887 25.54369
387.0708 25.64012
387.5529 26.05418
388.0350 27.07497
388.5171 28.32188
388.9992 28.98309
389.4814 28.54517
389.9635 28.40640
390.4456 28.66881
390.9277 29.07158
391.4098 29.41151
391.8919 29.61313
392.3741 29.84589
392.8562 30.41077
393.3383 31.53082
393.8204 32.20267
394.3025 31.76253
394.7846 31.37920
395.2668 31.54393
395.7489 32.13608
396.2310 32.75002
396.7131 33.11125
397.1952 33.33946
397.6773 33.98865
398.1595 35.72829
398.6416 36.83240
399.1237 36.95171
399.6058 36.61346
400.0879 36.10779
400.5700 35.51877
401.0522 34.74216
401.5343 33.65256
402.0164 32.26843
402.4985 31.15125
402.9806 31.10022
403.4627 30.45856
403.9449 27.91322
404.4270 24.15933
404.9091 21.01285
405.3912 19.80315
405.8733 19.92207
406.3554 19.48610
406.8376 18.35934
407.3197 16.97499
407.8018 15.21767
408.2839 13.42700
408.7660 11.96239
409.2481 10.90291
409.7303 10.14984
410.2124 9.790039
410.6945 9.768082
411.1766 9.314392
411.6587 7.945602
412.1408 6.537933
412.6230 6.029465
413.1051 6.294647
413.5872 6.417664
414.0693 5.731857
414.5514 4.772537
415.0335 4.578201
415.5157 5.262695
415.9978 5.762054
416.4799 5.303040
416.9620 4.195267
417.4441 3.481033
417.9262 3.316010
418.4084 3.326187
418.8905 3.418839
419.3726 3.624237
419.8547 4.131241
420.3368 5.127930
420.8189 6.031082
421.3011 5.736694
421.7832 3.876358
422.2653 2.469299
422.7474 1.812683
423.2295 1.640274
423.7116 1.959885
424.1938 2.645935
424.6759 3.122681
425.1580 2.882843
425.6401 1.983521
426.1222 1.485367
426.6043 1.601883
427.0865 1.801590
427.5686 1.984406
428.0507 2.160843
428.5328 2.392136
429.0149 2.696747
429.4970 2.965073
429.9792 2.991776
430.4613 2.631607
430.9434 2.336914
431.4255 2.151474
431.9076 1.979889
432.3897 1.693542
432.8719 1.356308
433.3540 1.194366
433.8361 1.441132
434.3182 2.007751
434.8003 2.229294
435.2824 1.880737
435.7646 1.517441
436.2467 1.222626
436.7288 1.012589
437.2109 0.9542850
437.6930 1.071503
438.1751 1.176788
438.6573 0.9302980
439.1394 0.2839200
439.6215 2.6550000E-03
440.1036 0.4850310
440.5857 1.010925
441.0678 1.044525
441.5500 0.6924130
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