#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:52:46 +0300 (Thu, 07 Jun 2018) $
#$Revision: 984 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100043.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_2100043
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 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            R050319.rod
_rod_data_source.block           3500000
_rod_database.code               2100043
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
135.7440 0.0000000E+00
136.2261 0.5494080
136.7083 0.2665860
137.1904 0.4834900
137.6725 1.960739
138.1546 3.564240
138.6367 5.280350
139.1188 6.711777
139.6010 7.553024
140.0831 7.764252
140.5652 8.687576
141.0473 10.10696
141.5294 12.45735
142.0115 16.34209
142.4937 22.11346
142.9758 28.61053
143.4579 35.77887
143.9400 43.85110
144.4221 51.25191
144.9042 58.18907
145.3864 64.37332
145.8685 69.16487
146.3506 72.54987
146.8327 74.65721
147.3148 75.68135
147.7969 76.20630
148.2791 74.31390
148.7612 68.90326
149.2433 61.25583
149.7254 54.18692
150.2075 47.25963
150.6896 41.24744
151.1718 36.48846
151.6539 33.23689
152.1360 30.82220
152.6181 29.42786
153.1002 28.95825
153.5823 28.98680
154.0645 29.71161
154.5466 30.64079
155.0287 31.53171
155.5108 31.80774
155.9929 32.71878
156.4750 34.67000
156.9572 37.46674
157.4393 40.29314
157.9214 42.21454
158.4035 44.59158
158.8856 48.27289
159.3677 53.88672
159.8499 60.39050
160.3320 67.23407
160.8141 74.70148
161.2962 83.55913
161.7783 94.11267
162.2604 106.0668
162.7426 119.2264
163.2247 134.7753
163.7068 149.1725
164.1889 161.8117
164.6710 172.4593
165.1531 179.9789
165.6353 182.8623
166.1174 182.7075
166.5995 181.2320
167.0816 176.7050
167.5637 172.7825
168.0458 171.1587
168.5280 172.1274
169.0101 177.0772
169.4922 187.0816
169.9743 200.8233
170.4564 217.0629
170.9385 239.3806
171.4207 259.8726
171.9028 274.4724
172.3849 283.3592
172.8670 282.8631
173.3491 266.6473
173.8312 239.2041
174.3134 208.9761
174.7955 176.4290
175.2776 144.9171
175.7597 118.6293
176.2418 97.72255
176.7239 80.94687
177.2061 67.33401
177.6882 56.51872
178.1703 47.73865
178.6524 41.33951
179.1345 36.43036
179.6166 31.55298
180.0988 26.50328
180.5809 21.87817
181.0630 18.57629
181.5451 16.33253
182.0272 14.21637
182.5093 11.36000
182.9915 8.263016
183.4736 6.398911
183.9557 6.082565
184.4378 6.144989
184.9199 4.648895
185.4020 1.871338
185.8842 0.3682100
186.3663 0.5952910
186.8484 0.6281740
187.3305 1.293045
187.8126 1.238205
188.2947 0.6511690
188.7769 0.4729460
189.2590 2.092316
189.7411 3.332016
190.2232 3.528214
190.7053 2.828506
191.1874 2.208496
191.6696 1.765335
192.1517 1.379272
192.6338 0.9004060
193.1159 0.3350680
193.5980 0.4694370
194.0801 1.937531
194.5623 3.995178
195.0444 5.469193
195.5265 6.142105
196.0086 6.293655
196.4907 6.524384
196.9728 6.861694
197.4550 7.028885
197.9371 6.899292
198.4192 6.473892
198.9013 5.658386
199.3834 4.387268
199.8655 2.786621
200.3477 1.128052
200.8298 0.5797120
201.3119 2.377350
201.7940 4.476028
202.2761 6.956741
202.7582 8.793320
203.2404 9.791245
203.7225 10.16840
204.2046 10.70593
204.6867 11.67087
205.1688 11.87871
205.6509 10.32571
206.1331 6.694000
206.6152 3.383881
207.0973 0.7297210
207.5794 1.544037
208.0615 4.321747
208.5436 7.737381
209.0258 11.31923
209.5079 14.82137
209.9900 18.27946
210.4721 21.34247
210.9542 23.70430
211.4363 25.74112
211.9185 28.74123
212.4006 32.84514
212.8827 37.64484
213.3648 42.89552
213.8469 48.80986
214.3290 54.51180
214.8112 59.61615
215.2933 64.50717
215.7754 70.99643
216.2575 79.91452
216.7396 88.88882
217.2217 96.67294
217.7038 103.4805
218.1860 108.5072
218.6681 112.0606
219.1502 113.7278
219.6323 111.6197
220.1144 104.7702
220.5965 95.84219
221.0787 86.01547
221.5608 74.50204
222.0429 64.27432
222.5250 55.48685
223.0071 48.13135
223.4892 42.57401
223.9714 39.15103
224.4535 36.91675
224.9356 35.40082
225.4177 34.75131
225.8998 34.49164
226.3819 34.58014
226.8641 35.03973
227.3462 35.97223
227.8283 37.49359
228.3104 39.29749
228.7925 41.21954
229.2746 43.30856
229.7568 45.49585
230.2389 47.88855
230.7210 50.37863
231.2031 52.48410
231.6852 53.83685
232.1673 55.34128
232.6495 57.37094
233.1316 59.80759
233.6137 63.04697
234.0958 67.18765
234.5779 72.08020
235.0600 77.27026
235.5422 82.92047
236.0243 88.72562
236.5064 94.57251
236.9885 100.4513
237.4706 106.3925
237.9527 112.3370
238.4349 118.2879
238.9170 124.1626
239.3991 129.8146
239.8812 135.6092
240.3633 141.7802
240.8454 148.6741
241.3276 155.1038
241.8097 161.1240
242.2918 166.5731
242.7739 171.0353
243.2560 174.4501
243.7381 176.9019
244.2203 178.4955
244.7024 179.2590
245.1845 179.1731
245.6666 177.4716
246.1487 175.2475
246.6308 174.3793
247.1130 174.2263
247.5951 176.4145
248.0772 181.2576
248.5593 188.3441
249.0414 199.9605
249.5235 217.2473
250.0057 238.3037
250.4878 260.7805
250.9699 286.1886
251.4520 310.6205
251.9341 334.7757
252.4162 361.8822
252.8984 373.3396
253.3805 367.0957
253.8626 346.5750
254.3447 315.8276
254.8268 269.1776
255.3089 222.8616
255.7911 180.8632
256.2732 142.6375
256.7553 111.6165
257.2374 89.03726
257.7195 72.38806
258.2017 58.71213
258.6838 48.07245
259.1659 39.90976
259.6480 34.49606
260.1301 31.95923
260.6122 28.99930
261.0944 25.13214
261.5765 21.55695
262.0586 19.58463
262.5407 19.63281
263.0228 20.10220
263.5049 20.82791
263.9871 21.91785
264.4692 23.02213
264.9513 23.80164
265.4334 24.94827
265.9155 27.35913
266.3976 31.45248
266.8798 35.24701
267.3619 38.33701
267.8440 40.81155
268.3261 43.10928
268.8082 45.12949
269.2903 47.17426
269.7725 49.44040
270.2546 51.87228
270.7367 54.63666
271.2188 57.81631
271.7009 61.31161
272.1830 64.87393
272.6652 68.60770
273.1473 72.03229
273.6294 74.95038
274.1115 77.39743
274.5936 79.06879
275.0757 79.96054
275.5579 80.01657
276.0400 79.23779
276.5221 77.82651
277.0042 74.76968
277.4863 68.94418
277.9684 60.12061
278.4506 51.65875
278.9327 43.74594
279.4148 36.36096
279.8969 29.24484
280.3790 22.26300
280.8611 16.47076
281.3433 12.62213
281.8254 10.69925
282.3075 9.291107
282.7896 8.309387
283.2717 7.912018
283.7538 8.509430
284.2360 10.12500
284.7181 11.97900
285.2002 13.50192
285.6823 14.82843
286.1644 17.43185
286.6465 21.52969
287.1287 26.02222
287.6108 29.13028
288.0929 30.96527
288.5750 33.62442
289.0571 38.05789
289.5392 43.96973
290.0214 50.20853
290.5035 56.78308
290.9856 63.39105
291.4677 69.66043
291.9498 75.66550
292.4319 81.72556
292.9141 88.39719
293.3962 95.00021
293.8783 100.1258
294.3604 103.7487
294.8425 105.8251
295.3246 106.0694
295.8068 104.7063
296.2889 102.5314
296.7710 99.83707
297.2531 96.27713
297.7352 90.93484
298.2173 83.99295
298.6995 76.74677
299.1816 69.84601
299.6637 63.37173
300.1458 57.61554
300.6279 52.48792
301.1100 48.25858
301.5922 45.40317
302.0743 43.81235
302.5564 43.05716
303.0385 43.21277
303.5206 43.92459
304.0027 44.59995
304.4849 45.05234
304.9670 45.89236
305.4491 47.72052
305.9312 50.38480
306.4133 53.52289
306.8954 56.81992
307.3776 60.58347
307.8597 65.01270
308.3418 70.15372
308.8239 76.09467
309.3060 83.64114
309.7881 91.99316
310.2703 99.62921
310.7524 105.4811
311.2345 110.8536
311.7166 116.9478
312.1987 123.7237
312.6808 129.5157
313.1630 134.1380
313.6451 137.0351
314.1272 137.6278
314.6093 134.7507
315.0914 130.4616
315.5735 125.8662
316.0557 120.7836
316.5378 114.2970
317.0199 104.7798
317.5020 94.47641
317.9841 84.80557
318.4662 75.96265
318.9484 68.29507
319.4305 62.53406
319.9126 58.11896
320.3947 53.56897
320.8768 47.96231
321.3589 42.49503
321.8411 37.82758
322.3232 34.45724
322.8053 31.00943
323.2874 27.08505
323.7695 22.97427
324.2516 19.13193
324.7338 15.81479
325.2159 12.64667
325.6980 9.258942
326.1801 5.294495
326.6622 2.558334
327.1443 1.850784
327.6265 2.029388
328.1086 1.961166
328.5907 1.254013
329.0728 0.7844540
329.5549 0.8548430
330.0370 1.444702
330.5192 1.504364
331.0013 0.2731320
331.4834 0.8382570
331.9655 0.8443910
332.4476 0.9584960
332.9297 2.591171
333.4119 3.866455
333.8940 4.838058
334.3761 5.710602
334.8582 6.479645
335.3403 7.066772
335.8224 7.376358
336.3046 7.213455
336.7867 7.572266
337.2688 8.699341
337.7509 10.18279
338.2330 11.22089
338.7151 11.76440
339.1973 11.93884
339.6794 11.62392
340.1615 10.79491
340.6436 10.57927
341.1257 11.06163
341.6078 12.00653
342.0899 13.21782
342.5721 14.69836
343.0542 16.22392
343.5363 17.75264
344.0184 19.25981
344.5005 20.54187
344.9826 21.52423
345.4648 22.75432
345.9469 24.80978
346.4290 27.63112
346.9111 30.50615
347.3932 33.31644
347.8753 36.10863
348.3575 38.85785
348.8396 41.56033
349.3217 44.39429
349.8038 47.09552
350.2859 50.00143
350.7680 54.13426
351.2502 59.81775
351.7323 65.92499
352.2144 71.01941
352.6965 75.46533
353.1786 80.20906
353.6607 86.25134
354.1429 92.62665
354.6250 98.18814
355.1071 102.8859
355.5892 106.9828
356.0713 110.9979
356.5534 114.4861
357.0356 116.7881
357.5177 117.6894
357.9998 117.3122
358.4819 115.7489
358.9640 112.9852
359.4461 108.9143
359.9283 102.8475
360.4104 95.78461
360.8925 88.51642
361.3746 81.10092
361.8567 73.70071
362.3388 65.90222
362.8210 58.18457
363.3031 51.45956
363.7852 46.26349
364.2673 41.93065
364.7494 38.19493
365.2315 35.05484
365.7137 32.39783
366.1958 29.99628
366.6779 28.16216
367.1600 27.24374
367.6421 28.58479
368.1242 29.49417
368.6064 29.29617
369.0885 27.92552
369.5706 26.58861
370.0527 24.89990
370.5348 23.53838
371.0169 23.00391
371.4991 24.12653
371.9812 24.63858
372.4633 23.99483
372.9454 22.65259
373.4275 22.29391
373.9096 23.43935
374.3918 24.66983
374.8739 25.31029
375.3560 25.25833
375.8381 25.19571
376.3202 25.27199
376.8023 25.13766
377.2845 24.16006
377.7666 22.21820
378.2487 20.09743
378.7308 18.07727
379.2129 16.10400
379.6950 13.96951
380.1772 11.64893
380.6593 9.212372
381.1414 6.546814
381.6235 3.724731
382.1056 1.250061
382.5877 0.7382510
383.0699 2.348969
383.5520 3.817413
384.0341 5.132416
384.5162 6.094666
384.9983 6.376862
385.4804 6.250549
385.9626 6.351257
386.4447 6.792969
386.9268 7.228790
387.4089 7.267487
387.8910 7.017670
388.3731 6.752014
388.8553 6.736877
389.3374 6.704346
389.8195 6.356598
390.3016 5.686707
390.7837 4.883209
391.2658 4.147675
391.7480 3.323517
392.2301 2.219238
392.7122 0.5309140
393.1943 1.101471
393.6764 2.277344
394.1585 3.138275
394.6407 4.060333
395.1228 5.016937
395.6049 6.227570
396.0870 7.869385
396.5691 10.06622
397.0512 12.28561
397.5334 14.39038
398.0155 16.47665
398.4976 18.63754
398.9797 20.48813
399.4618 22.88763
399.9439 26.33099
400.4261 30.80414
400.9082 34.50586
401.3903 36.90866
401.8724 39.03125
402.3545 41.47751
402.8366 44.09952
403.3188 47.33813
403.8009 51.61703
404.2830 56.35773
404.7651 60.01404
405.2472 62.24792
405.7293 64.23398
406.2115 66.36911
406.6936 68.62372
407.1757 71.36227
407.6578 74.88467
408.1399 78.10757
408.6220 79.64890
409.1042 79.54266
409.5863 79.25583
410.0684 79.13956
410.5505 79.11316
411.0326 79.32065
411.5147 79.73328
411.9969 79.39850
412.4790 77.15448
412.9611 73.69257
413.4432 70.86414
413.9253 69.12100
414.4074 67.15613
414.8896 63.17093
415.3717 57.85291
415.8538 52.82730
416.3359 49.34399
416.8180 46.22195
417.3001 42.35458
417.7823 37.70578
418.2644 33.24808
418.7465 29.03345
419.2286 25.55923
419.7107 23.31683
420.1928 22.58228
420.6750 22.67899
421.1571 23.31003
421.6392 24.51453
422.1213 26.44406
422.6034 29.39197
423.0855 32.77158
423.5677 36.46695
424.0498 40.58569
424.5319 44.28403
425.0140 46.84198
425.4961 49.35608
425.9782 53.00262
426.4604 58.06812
426.9425 63.89545
427.4246 70.51047
427.9067 77.89044
428.3888 85.32138
428.8709 92.41882
429.3531 100.2406
429.8352 109.4749
430.3173 120.0142
430.7994 131.7932
431.2815 144.9306
431.7636 159.0908
432.2458 173.5142
432.7279 188.1835
433.2100 203.1628
433.6921 218.1956
434.1742 233.6603
434.6563 250.8511
435.1385 270.0404
435.6206 289.4036
436.1027 308.0131
436.5848 325.6486
437.0669 341.9572
437.5490 357.3616
438.0312 370.2767
438.5133 379.8634
438.9954 385.8022
439.4775 387.2029
439.9596 382.9375
440.4417 374.3556
440.9239 362.4593
441.4060 347.3251
441.8881 329.2740
442.3702 306.6843
442.8523 282.3589
443.3344 258.7739
443.8166 235.8476
444.2987 214.5757
444.7808 195.0892
445.2629 177.4828
445.7450 161.8854
446.2271 148.3585
446.7093 137.1176
447.1914 128.4705
447.6735 122.8548
448.1556 118.5342
448.6377 115.3609
449.1198 113.6008
449.6020 113.6581
450.0841 116.0104
450.5662 119.1100
451.0483 122.4088
451.5304 126.2746
452.0125 132.7909
452.4947 142.9591
452.9768 152.8952
453.4589 160.0657
453.9410 164.4530
454.4231 170.5267
454.9052 178.9370
455.3874 187.5228
455.8695 193.0447
456.3516 196.0072
456.8337 199.9294
457.3158 206.2961
457.7979 214.0470
458.2801 221.7657
458.7622 229.3410
459.2443 236.2852
459.7264 241.2530
460.2085 245.7183
460.6906 251.7260
461.1728 259.8339
461.6549 268.2075
462.1370 275.6177
462.6191 282.3124
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