#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:34:04 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1151 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100054.rod $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100054
loop_
_publ_author_name
'Gatehouse, B. M.'
'Miskin, B. K.'
_publ_section_title
;
 The crystal structure of brazilianite, NaAl3(PO4)2(OH)4 Locality: Corrego
 Frio pegmatite, Minas Gerais, Brazil
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1311
_journal_page_last               1317
_journal_paper_doi               10.1107/S0567740874004730
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        R050319
_chemical_formula_sum            'Al3 H4 Na O12 P2'
_chemical_name_mineral           Brazilianite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.37
_cell_angle_gamma                90
_cell_length_a                   11.233
_cell_length_b                   10.142
_cell_length_c                   7.097
_cell_volume                     801.847
_exptl_crystal_density_diffrn    2.998
_cod_original_formula_sum        'P2 Al3 Na O12 H4'
_cod_database_code               9007592
_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            R050319.rod
_rod_data_source.block           3500000
_rod_database.code               2100054
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 9007592 COD http://www.crystallography.net/cod/9007592.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
92.52344 0.0000000E+00
93.00555 0.3500980
93.48767 3.6040999E-02
93.96979 11.62341
94.45190 24.56131
94.93402 36.52402
95.41614 42.41724
95.89825 44.39200
96.38037 46.15479
96.86249 48.35941
97.34460 53.58127
97.82672 63.10254
98.30884 73.82150
98.79095 84.35980
99.27307 94.93005
99.75519 107.0229
100.2373 122.3770
100.7194 142.0758
101.2015 167.0679
101.6837 198.7409
102.1658 233.2358
102.6479 271.9445
103.1300 316.2340
103.6121 351.6937
104.0942 367.0144
104.5764 366.6292
105.0585 352.3089
105.5406 318.8435
106.0227 272.7385
106.5048 232.1364
106.9869 195.3549
107.4691 166.0987
107.9512 144.2789
108.4333 129.8096
108.9154 121.5207
109.3975 118.0706
109.8796 119.4298
110.3618 123.8515
110.8439 133.4253
111.3260 147.1712
111.8081 164.2928
112.2902 184.2441
112.7723 205.9856
113.2544 228.1440
113.7366 255.6923
114.2187 269.5702
114.7008 270.4425
115.1829 260.7221
115.6650 239.8937
116.1471 207.7383
116.6293 169.1363
117.1114 134.9576
117.5935 104.7020
118.0756 78.88251
118.5577 58.09074
119.0398 41.84061
119.5220 28.90506
120.0041 19.26399
120.4862 12.66367
120.9683 7.639984
121.4504 4.488251
121.9325 2.384399
122.4147 0.9392240
122.8968 0.2005920
123.3789 0.5079350
123.8610 1.818832
124.3431 3.178604
124.8252 4.021378
125.3074 4.118454
125.7895 3.679230
126.2716 3.107727
126.7537 2.381180
127.2358 1.564209
127.7179 0.2118840
128.2001 1.112122
128.6822 1.607269
129.1643 0.6482700
129.6464 1.625458
130.1285 3.350967
130.6107 3.969513
131.0928 4.542221
131.5749 5.448120
132.0570 6.526642
132.5391 7.412964
133.0212 7.817505
133.5034 7.754852
133.9855 6.864578
134.4676 4.964050
134.9497 2.591690
135.4318 6.2606998E-02
135.9139 2.928818
136.3960 5.901550
136.8782 8.785873
137.3603 11.50423
137.8424 14.77307
138.3245 18.80461
138.8066 23.33928
139.2887 28.02448
139.7709 32.73460
140.2530 37.71434
140.7351 43.10440
141.2172 48.78806
141.6993 55.44733
142.1814 63.46870
142.6636 72.68040
143.1457 82.71474
143.6278 94.27296
144.1099 105.6576
144.5920 115.9237
145.0741 124.9802
145.5563 132.6976
146.0384 139.2484
146.5205 144.7781
147.0026 147.8356
147.4847 147.4208
147.9668 144.8170
148.4490 140.0145
148.9311 133.1165
149.4132 125.0802
149.8953 117.4393
150.3774 111.2761
150.8595 105.8407
151.3417 100.5932
151.8238 96.26164
152.3059 93.57120
152.7880 92.78606
153.2701 93.44034
153.7522 94.40260
154.2344 94.93820
154.7165 96.77354
155.1986 99.91577
155.6807 104.3896
156.1628 110.5581
156.6449 118.7216
157.1271 128.2370
157.6092 136.4292
158.0913 141.0745
158.5734 147.1324
159.0555 156.1691
159.5376 167.7064
160.0198 180.5347
160.5019 194.0691
160.9840 208.4900
161.4661 223.8008
161.9482 240.2017
162.4303 257.2283
162.9125 275.6098
163.3946 295.2092
163.8767 312.7455
164.3588 327.7437
164.8409 338.4333
165.3230 341.9835
165.8052 336.2903
166.2873 324.6428
166.7694 310.3138
167.2515 292.2745
167.7336 274.9308
168.2157 258.8952
168.6979 245.0667
169.1800 234.8430
169.6621 229.0716
170.1442 227.1240
170.6263 227.7575
171.1084 233.8184
171.5906 237.8509
172.0727 239.3636
172.5548 237.4231
173.0369 230.4608
173.5190 216.9708
174.0011 197.6929
174.4833 178.8623
174.9654 159.0723
175.4475 141.2365
175.9296 125.9704
176.4117 113.0779
176.8938 102.0284
177.3760 92.45163
177.8581 84.35326
178.3402 77.79156
178.8223 73.92775
179.3044 70.26045
179.7865 65.84065
180.2687 60.85387
180.7508 56.08238
181.2329 52.18259
181.7150 49.19536
182.1971 46.39313
182.6792 43.90520
183.1614 41.55913
183.6435 39.15677
184.1256 36.74231
184.6077 34.68320
185.0898 33.37619
185.5719 32.92024
186.0541 32.43275
186.5362 31.57535
187.0183 30.70837
187.5004 30.22931
187.9825 30.24718
188.4646 30.30362
188.9468 29.80074
189.4289 28.87282
189.9110 28.18452
190.3931 28.07346
190.8752 28.27995
191.3573 28.35623
191.8395 28.23164
192.3216 28.35561
192.8037 29.10269
193.2858 30.35727
193.7679 31.80278
194.2500 33.69839
194.7322 35.67332
195.2143 36.43250
195.6964 35.23195
196.1785 33.88766
196.6606 33.62810
197.1427 34.00764
197.6249 34.09773
198.1070 33.39885
198.5891 31.92087
199.0712 29.72000
199.5533 26.38205
200.0354 22.68950
200.5176 18.72917
200.9997 14.63483
201.4818 10.61632
201.9639 6.756622
202.4460 3.046463
202.9281 0.1516880
203.4103 1.676086
203.8924 2.828110
204.3745 3.548538
204.8566 3.696411
205.3387 2.869751
205.8208 0.6538390
206.3030 3.092438
206.7851 6.896057
207.2672 10.55003
207.7493 14.45224
208.2314 19.01001
208.7135 24.02153
209.1957 28.82376
209.6778 32.72845
210.1599 35.50272
210.6420 39.21194
211.1241 44.38518
211.6062 49.81070
212.0884 55.03148
212.5705 59.94308
213.0526 64.48460
213.5347 68.45105
214.0168 71.71921
214.4989 76.23999
214.9811 82.87473
215.4632 89.98206
215.9453 96.65433
216.4274 102.8074
216.9095 108.6705
217.3916 114.8076
217.8737 121.0485
218.3559 124.8191
218.8380 125.7134
219.3201 124.3983
219.8022 121.1136
220.2843 115.8831
220.7664 109.5364
221.2486 102.2635
221.7307 94.27386
222.2128 86.77167
222.6949 79.04755
223.1770 72.33006
223.6591 68.43190
224.1413 67.67343
224.6234 67.73608
225.1055 66.89282
225.5876 65.71564
226.0697 65.32449
226.5518 66.25403
227.0340 68.00031
227.5161 69.81253
227.9982 71.60716
228.4803 73.77019
228.9624 77.07304
229.4445 80.73981
229.9267 83.74988
230.4088 85.56079
230.8909 86.62085
231.3730 87.68738
231.8551 88.69992
232.3372 89.87999
232.8194 91.45844
233.3015 93.20813
233.7836 94.84697
234.2657 96.20056
234.7478 97.47255
235.2299 99.12239
235.7121 101.2539
236.1942 103.6108
236.6763 106.0654
237.1584 108.6820
237.6405 111.5175
238.1227 114.5943
238.6048 117.9691
239.0869 121.8346
239.5690 126.6252
240.0511 131.1772
240.5332 135.6021
241.0154 139.5857
241.4975 142.7153
241.9796 144.8139
242.4617 146.1212
242.9438 147.3542
243.4259 149.8495
243.9081 149.8948
244.3902 146.4136
244.8723 140.9410
245.3544 134.3959
245.8365 127.1776
246.3186 120.0825
246.8008 114.7661
247.2829 110.8449
247.7650 109.7778
248.2471 111.2636
248.7292 115.5195
249.2113 123.0614
249.6935 133.9895
250.1756 147.5097
250.6577 162.2662
251.1398 180.9388
251.6219 196.6584
252.1040 212.3800
252.5862 223.6851
253.0683 226.5673
253.5504 219.8828
254.0325 205.1795
254.5146 184.4853
254.9967 153.1186
255.4789 124.1751
255.9610 96.82382
256.4431 72.43930
256.9252 52.35519
257.4073 36.80730
257.8894 24.75481
258.3716 14.84953
258.8537 7.566467
259.3358 2.013565
259.8179 1.159256
260.3000 3.021606
260.7821 4.325150
261.2643 5.253860
261.7464 5.894363
262.2285 6.378586
262.7106 6.722061
263.1927 6.468216
263.6748 5.476990
264.1570 3.968353
264.6391 1.970856
265.1212 0.4767610
265.6033 3.034286
266.0854 5.383102
266.5675 7.500900
267.0497 9.588211
267.5318 11.82948
268.0139 13.90730
268.4960 15.48891
268.9781 16.57390
269.4602 17.52551
269.9424 18.51584
270.4245 19.61673
270.9066 21.05247
271.3887 23.05556
271.8708 25.22878
272.3529 27.22575
272.8351 29.06880
273.3172 31.08131
273.7993 33.67220
274.2814 36.54842
274.7635 38.86855
275.2456 40.98694
275.7278 42.10576
276.2099 41.42064
276.6920 39.07916
277.1741 36.21323
277.6562 33.38045
278.1383 30.26013
278.6205 26.32579
279.1026 21.04283
279.5847 15.92059
280.0668 11.74229
280.5489 8.511642
281.0310 6.195419
281.5132 4.699615
281.9953 4.404709
282.4774 5.700851
282.9595 8.737183
283.4416 12.18503
283.9237 15.17715
284.4059 17.87428
284.8880 20.96718
285.3701 24.56305
285.8522 28.69087
286.3343 33.38573
286.8164 38.62927
287.2986 44.07996
287.7807 49.59988
288.2628 55.17902
288.7449 60.78435
289.2270 66.44371
289.7091 72.15948
290.1913 77.87846
290.6734 83.63553
291.1555 89.76788
291.6376 96.90111
292.1197 104.4343
292.6018 111.1365
293.0840 117.0085
293.5661 121.7613
294.0482 125.3895
294.5303 127.8546
295.0124 128.8778
295.4945 128.3042
295.9767 126.2254
296.4588 122.6319
296.9409 117.2859
297.4230 111.2133
297.9051 104.5149
298.3872 97.47273
298.8694 90.24725
299.3515 82.60321
299.8336 75.27081
300.3157 69.03311
300.7978 63.82632
301.2799 59.91406
301.7621 58.37541
302.2442 57.71756
302.7263 56.47008
303.2084 54.21353
303.6905 52.31396
304.1726 52.42407
304.6548 54.63445
305.1369 56.68526
305.6190 57.35435
306.1011 58.29437
306.5832 60.95258
307.0653 65.37836
307.5475 70.16501
308.0296 73.95596
308.5117 76.89014
308.9938 80.81389
309.4759 86.52606
309.9580 92.64999
310.4402 98.12598
310.9223 103.1206
311.4044 108.3419
311.8865 114.9538
312.3686 122.3054
312.8507 127.5807
313.3329 130.2376
313.8150 131.5255
314.2971 132.5211
314.7792 132.8060
315.2613 131.5010
315.7434 127.8578
316.2256 122.5946
316.7077 117.2150
317.1898 111.7169
317.6719 105.9380
318.1540 99.38728
318.6361 92.65654
319.1183 86.40793
319.6004 80.84464
320.0825 75.73305
320.5646 70.80634
321.0467 66.10106
321.5288 61.47250
322.0110 56.87093
322.4931 52.37396
322.9752 48.15260
323.4573 44.23831
323.9394 40.20107
324.4215 35.45097
324.9037 30.06985
325.3858 25.28201
325.8679 21.37021
326.3500 18.07361
326.8321 15.25043
327.3142 12.85902
327.7964 10.71884
328.2785 8.665619
328.7606 6.721497
329.2427 5.054214
329.7248 3.699570
330.2069 2.568939
330.6891 1.492874
331.1712 0.5628360
331.6533 1.3657000E-02
332.1354 0.1512300
332.6175 0.6704410
333.0996 0.8961940
333.5818 0.7408140
334.0639 0.4746550
334.5460 0.1984100
335.0281 8.5510001E-02
335.5102 0.4331360
335.9923 0.9738620
336.4745 1.356812
336.9566 0.9447940
337.4387 0.3258510
337.9208 1.144394
338.4029 0.9726560
338.8850 0.2312930
339.3671 0.8674620
339.8492 2.353134
340.3314 3.486298
340.8135 3.551270
341.2956 2.703568
341.7777 1.916077
342.2598 1.436386
342.7419 0.9345400
343.2241 8.1390001E-02
343.7062 1.060135
344.1883 2.164932
344.6704 2.873459
345.1525 3.470795
345.6346 4.607361
346.1168 6.392975
346.5989 8.462143
347.0810 10.64235
347.5631 12.90884
348.0452 15.26599
348.5273 17.76704
349.0095 20.31136
349.4916 22.61168
349.9737 24.64186
350.4558 27.23553
350.9379 31.00957
351.4200 35.46510
351.9022 39.69208
352.3843 43.50229
352.8664 47.45628
353.3485 52.04808
353.8306 57.11372
354.3127 62.07129
354.7949 66.94673
355.2770 71.36745
355.7591 74.89201
356.2412 77.56680
356.7233 79.75240
357.2054 82.06013
357.6876 83.80746
358.1697 83.75967
358.6518 81.65182
359.1339 78.50896
359.6160 75.05257
360.0981 71.37228
360.5803 67.54265
361.0624 63.56516
361.5445 59.45045
362.0266 54.77478
362.5087 49.68683
362.9908 45.55367
363.4730 43.26588
363.9551 42.42285
364.4372 41.55394
364.9193 40.20468
365.4014 39.53995
365.8835 40.16550
366.3657 41.69720
366.8478 43.54308
367.3299 45.58047
367.8120 47.60518
368.2941 49.27966
368.7762 50.53452
369.2584 51.44643
369.7405 51.90109
370.2226 52.16945
370.7047 52.60010
371.1868 53.18272
371.6689 53.50144
372.1511 53.19782
372.6332 52.25914
373.1153 51.76027
373.5974 51.96394
374.0795 52.29883
374.5616 52.71234
375.0438 53.04897
375.5259 52.96924
376.0080 52.26794
376.4901 51.06221
376.9722 49.74907
377.4543 48.35646
377.9365 46.82542
378.4186 45.38232
378.9007 43.68977
379.3828 41.15817
379.8649 37.68794
380.3470 34.04819
380.8292 31.36818
381.3113 30.14177
381.7934 28.39059
382.2755 25.46826
382.7576 22.64638
383.2397 20.68793
383.7219 19.51147
384.2040 18.61357
384.6861 17.58806
385.1682 16.46588
385.6503 15.75249
386.1324 15.61121
386.6146 15.73882
387.0967 16.21556
387.5788 16.89388
388.0609 17.66548
388.5430 18.47359
389.0251 19.18425
389.5073 19.51810
389.9894 19.15291
390.4715 19.22006
390.9536 19.98003
391.4357 20.92090
391.9178 21.70602
392.4000 22.31929
392.8821 22.98671
393.3642 23.91376
393.8463 25.09636
394.3284 26.43721
394.8105 28.34706
395.2927 30.12370
395.7748 31.25883
396.2569 32.04320
396.7390 33.04147
397.2211 34.54642
397.7032 36.33734
398.1854 38.00125
398.6675 39.62238
399.1496 41.22583
399.6317 42.61763
400.1138 44.09982
400.5959 46.07251
401.0781 48.60222
401.5602 51.04195
402.0423 52.56734
402.5244 53.25888
403.0065 54.34009
403.4886 56.10048
403.9708 58.10881
404.4529 60.37975
404.9350 62.65796
405.4171 64.20825
405.8992 64.10619
406.3813 63.38405
406.8635 64.00868
407.3456 66.19864
407.8277 67.69292
408.3098 66.98276
408.7919 65.05707
409.2740 63.67989
409.7562 63.17645
410.2383 62.62445
410.7204 61.55632
411.2025 60.00586
411.6846 58.09157
412.1667 55.85471
412.6489 53.21404
413.1310 49.93565
413.6131 46.03893
414.0952 42.08214
414.5773 38.20450
415.0594 34.27498
415.5416 30.28091
416.0237 26.18333
416.5058 21.67886
416.9879 16.39774
417.4700 10.62444
417.9521 5.792999
418.4343 2.044296
418.9164 1.183014
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