#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:33:39 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1145 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100053.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_2100053
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        R050126
_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            R050126.rod
_rod_data_source.block           3500000
_rod_database.code               2100053
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
134.5977 0.0000000E+00
135.0798 1.988556
135.5619 2.868774
136.0440 1.397491
136.5262 0.3369750
137.0083 0.9735410
137.4904 8.1940003E-02
137.9725 1.492249
138.4546 3.096985
138.9367 4.474884
139.4189 6.087189
139.9010 8.847321
140.3831 13.03162
140.8652 17.86572
141.3473 22.66586
141.8294 28.12088
142.3116 34.96863
142.7937 43.64301
143.2758 53.71573
143.7579 63.75372
144.2400 74.00186
144.7221 83.81998
145.2043 93.32300
145.6864 102.3295
146.1685 110.5158
146.6506 117.7804
147.1327 124.0883
147.6148 128.9062
148.0970 131.8396
148.5791 133.8932
149.0612 134.8464
149.5433 135.0331
150.0254 135.9641
150.5075 139.1165
150.9896 144.2859
151.4718 148.2190
151.9539 149.5428
152.4360 150.3932
152.9181 152.6330
153.4002 156.3751
153.8823 161.3113
154.3645 167.8273
154.8466 175.4155
155.3287 182.9796
155.8108 190.1109
156.2929 196.9981
156.7750 204.1498
157.2572 211.8071
157.7393 219.3582
158.2214 226.1971
158.7035 232.6176
159.1856 239.6139
159.6677 247.7886
160.1499 256.0388
160.6320 266.4305
161.1141 279.6324
161.5962 294.5683
162.0783 311.1663
162.5604 329.3404
163.0426 348.8947
163.5247 369.9198
164.0068 392.5751
164.4889 415.0464
164.9710 439.0063
165.4531 461.4839
165.9353 480.1812
166.4174 495.4095
166.8995 509.6807
167.3816 525.2799
167.8637 539.7235
168.3458 563.8784
168.8280 596.4993
169.3101 637.8580
169.7922 691.1299
170.2743 756.0607
170.7564 825.6682
171.2385 892.8931
171.7207 967.4816
172.2028 1011.512
172.6849 1021.440
173.1670 1000.548
173.6491 947.2775
174.1312 858.5585
174.6133 749.9366
175.0955 643.6985
175.5776 536.8083
176.0597 441.1816
176.5418 360.5080
177.0239 293.5582
177.5060 236.8115
177.9882 190.3878
178.4703 153.1055
178.9524 122.2434
179.4345 97.76990
179.9166 77.01059
180.3987 58.60388
180.8809 42.56213
181.3630 29.81564
181.8451 22.43976
182.3272 17.17963
182.8093 10.71863
183.2914 2.736572
183.7736 4.476074
184.2557 8.520233
184.7378 9.090240
185.2199 8.925598
185.7020 8.368744
186.1841 7.372162
186.6663 5.731689
187.1484 3.597443
187.6305 1.096008
188.1126 1.771820
188.5947 5.050873
189.0768 8.518707
189.5590 12.42923
190.0411 16.31485
190.5232 19.87692
191.0053 24.40201
191.4874 29.96463
191.9695 36.72379
192.4517 42.28494
192.9338 48.03613
193.4159 53.74948
193.8980 59.41626
194.3801 65.22281
194.8622 71.67325
195.3443 78.79178
195.8265 86.57477
196.3086 96.96619
196.7907 105.7314
197.2728 111.5556
197.7549 116.1584
198.2370 121.7522
198.7192 129.2920
199.2013 137.6994
199.6834 143.8768
200.1655 145.3559
200.6476 147.8239
201.1297 152.8253
201.6119 159.4864
202.0940 166.1409
202.5761 171.8353
203.0582 177.6043
203.5403 186.3789
204.0224 198.5799
204.5046 211.9307
204.9867 226.2523
205.4688 241.1234
205.9509 256.1722
206.4330 272.4970
206.9151 287.0013
207.3973 294.9398
207.8794 296.7672
208.3615 292.1708
208.8436 278.9818
209.3257 258.3008
209.8078 235.8667
210.2900 212.2719
210.7721 189.3011
211.2542 168.8076
211.7363 150.9299
212.2184 135.3103
212.7005 121.8420
213.1827 110.5056
213.6648 101.1017
214.1469 93.08707
214.6290 87.59659
215.1111 85.89557
215.5932 88.31534
216.0754 92.92108
216.5575 97.83713
217.0396 102.9530
217.5217 108.9386
218.0038 117.9474
218.4859 126.6897
218.9680 133.4462
219.4502 137.8173
219.9323 139.7091
220.4144 138.6223
220.8965 133.7886
221.3786 128.4125
221.8607 121.6319
222.3429 115.3267
222.8250 110.8122
223.3071 108.3251
223.7892 107.0934
224.2713 105.8458
224.7534 103.8864
225.2356 103.7127
225.7177 105.3165
226.1998 108.4668
226.6819 113.2756
227.1640 119.6494
227.6461 127.1590
228.1283 135.3038
228.6104 145.4030
229.0925 153.5098
229.5746 160.5425
230.0567 165.3868
230.5388 167.5922
231.0210 166.9127
231.5031 163.0305
231.9852 155.3301
232.4673 142.8137
232.9494 127.6843
233.4315 107.4003
233.9137 86.39316
234.3958 67.51657
234.8779 51.60559
235.3600 38.21478
235.8421 26.72522
236.3242 17.27609
236.8064 10.20059
237.2885 6.217682
237.7706 4.067596
238.2527 2.550446
238.7348 1.445953
239.2169 1.595367
239.6991 4.199554
240.1812 10.06308
240.6633 16.15454
241.1454 23.32202
241.6275 30.04138
242.1096 35.24408
242.5918 38.83966
243.0739 40.89093
243.5560 41.50427
244.0381 40.69904
244.5202 37.25293
245.0023 29.79132
245.4845 20.27130
245.9666 10.01129
246.4487 0.9200740
246.9308 10.98795
247.4129 18.64951
247.8950 24.03345
248.3772 27.83984
248.8593 30.71451
249.3414 31.80453
249.8235 29.99094
250.3056 25.10492
250.7877 18.01599
251.2699 7.930969
251.7520 4.021362
252.2341 14.34265
252.7162 23.19534
253.1983 29.61163
253.6804 31.79239
254.1626 29.32886
254.6447 24.82407
255.1268 18.63718
255.6089 11.74731
256.0910 5.804535
256.5731 0.4064030
257.0552 3.295715
257.5374 3.315643
258.0195 0.8483280
258.5016 6.131592
258.9837 11.12738
259.4658 16.21420
259.9479 21.92593
260.4301 28.52490
260.9122 35.63675
261.3943 42.65463
261.8764 49.47125
262.3585 56.86340
262.8406 64.67099
263.3228 73.44403
263.8049 84.00845
264.2870 96.78802
264.7691 110.7536
265.2512 124.4627
265.7333 137.8243
266.2155 151.6255
266.6976 166.1515
267.1797 181.2909
267.6618 197.0575
268.1439 213.4171
268.6260 230.4022
269.1082 248.0363
269.5903 266.3742
270.0724 285.3145
270.5545 303.0407
271.0366 322.5822
271.5187 345.8668
272.0009 373.2095
272.4830 403.7343
272.9651 436.1087
273.4472 469.7289
273.9293 508.6893
274.4114 555.7973
274.8936 607.0941
275.3757 663.7615
275.8578 724.2562
276.3399 783.8455
276.8220 840.9945
277.3041 897.4429
277.7863 937.1127
278.2684 958.2853
278.7505 961.6695
279.2326 944.2222
279.7147 907.7357
280.1968 856.5527
280.6790 791.8803
281.1611 712.9739
281.6432 637.2211
282.1253 563.1410
282.6074 493.8119
283.0895 429.5073
283.5717 370.5969
284.0538 318.3987
284.5359 274.1609
285.0180 237.4868
285.5001 203.8154
285.9822 173.9927
286.4644 146.9199
286.9465 122.7966
287.4286 101.1753
287.9107 81.42151
288.3928 62.96942
288.8749 46.25885
289.3571 33.34280
289.8392 26.65112
290.3213 21.00558
290.8034 15.41565
291.2855 10.38571
291.7676 6.396362
292.2498 3.673553
292.7319 2.369873
293.2140 2.937592
293.6961 6.201324
294.1782 10.28397
294.6603 15.55667
295.1425 21.17752
295.6246 26.46542
296.1067 31.16513
296.5888 35.41580
297.0709 39.53049
297.5530 43.62329
298.0351 47.40604
298.5172 50.29156
298.9994 53.31653
299.4815 57.15295
299.9636 61.94437
300.4457 67.48660
300.9278 73.66907
301.4099 80.85843
301.8921 87.49957
302.3742 92.00592
302.8563 97.46408
303.3384 105.6693
303.8205 116.4801
304.3026 128.3679
304.7848 139.5634
305.2669 150.0718
305.7490 161.9211
306.2311 174.3606
306.7132 188.9673
307.1953 206.4468
307.6775 226.8657
308.1596 249.7946
308.6417 274.8754
309.1238 302.3796
309.6059 333.6930
310.0880 369.9828
310.5702 408.2139
311.0523 447.9763
311.5344 489.2189
312.0165 533.2393
312.4986 580.9457
312.9807 629.7280
313.4629 672.5942
313.9450 710.7538
314.4271 739.5300
314.9092 760.3731
315.3913 771.1898
315.8734 769.2905
316.3556 753.8236
316.8377 727.1494
317.3198 692.7035
317.8019 644.1060
318.2840 598.8973
318.7661 555.9949
319.2483 516.6320
319.7304 481.8409
320.2125 451.4663
320.6946 424.3699
321.1767 399.6372
321.6588 377.6940
322.1410 356.8688
322.6231 336.6346
323.1052 317.7075
323.5873 300.7872
324.0694 285.4910
324.5515 271.0472
325.0337 256.6832
325.5158 242.4542
325.9979 228.9072
326.4800 215.6180
326.9621 203.5604
327.4442 193.6604
327.9264 185.1489
328.4085 176.6607
328.8906 167.3324
329.3727 157.7972
329.8548 150.7309
330.3369 147.8881
330.8191 145.5830
331.3012 143.4634
331.7833 141.6791
332.2654 140.3799
332.7475 139.6310
333.2296 139.4095
333.7118 139.7840
334.1939 141.4729
334.6760 142.3417
335.1581 141.3405
335.6402 140.3550
336.1223 141.1112
336.6045 143.5802
337.0866 146.0265
337.5687 146.3785
338.0508 144.1261
338.5329 142.1801
339.0150 140.9639
339.4972 139.6547
339.9793 137.6984
340.4614 135.3497
340.9435 133.2317
341.4256 131.7998
341.9077 131.0456
342.3898 130.8716
342.8719 131.9766
343.3541 132.8894
343.8362 132.4241
344.3183 131.8297
344.8004 132.7653
345.2825 136.0526
345.7646 141.2399
346.2468 147.1850
346.7289 153.8080
347.2110 161.4593
347.6931 170.1028
348.1752 179.6102
348.6573 189.7173
349.1395 200.4339
349.6216 212.1907
350.1037 225.6481
350.5858 240.7958
351.0679 257.4230
351.5500 275.5484
352.0322 295.0365
352.5143 316.0209
352.9964 338.3968
353.4785 362.1144
353.9606 387.2168
354.4427 413.6447
354.9249 441.3138
355.4070 472.9322
355.8891 502.1228
356.3712 527.8829
356.8533 549.8578
357.3354 568.1589
357.8176 583.4497
358.2997 594.0164
358.7818 595.5470
359.2639 587.2271
359.7460 571.4241
360.2281 546.8585
360.7103 516.7752
361.1924 482.6070
361.6745 444.6660
362.1566 405.0744
362.6387 365.6199
363.1208 325.8758
363.6030 289.4462
364.0851 257.2592
364.5672 228.3918
365.0493 202.6598
365.5314 179.8994
366.0135 159.1301
366.4957 139.5365
366.9778 121.4301
367.4599 106.3119
367.9420 95.22458
368.4241 85.46069
368.9063 75.87912
369.3884 66.39157
369.8705 56.68982
370.3526 46.30475
370.8347 36.08453
371.3168 27.26343
371.7990 19.94772
372.2811 13.15598
372.7632 6.192322
373.2453 0.2325440
373.7274 5.262909
374.2095 8.765625
374.6917 11.18365
375.1738 12.63763
375.6559 13.21564
376.1380 13.48300
376.6201 13.87537
377.1022 13.43735
377.5844 10.68466
378.0665 5.912506
378.5486 1.504089
379.0307 1.641235
379.5128 3.914459
379.9949 5.742279
380.4771 7.123810
380.9592 8.444580
381.4413 9.753326
381.9234 11.25107
382.4055 13.54797
382.8876 17.46329
383.3698 21.46182
383.8519 24.69720
384.3340 27.18539
384.8161 28.91159
385.2982 29.65576
385.7803 29.99551
386.2624 31.13306
386.7445 33.03665
387.2267 35.62131
387.7088 39.11575
388.1909 43.18121
388.6730 47.09540
389.1551 50.73157
389.6372 55.30820
390.1194 62.39749
390.6015 72.51480
391.0836 81.48648
391.5657 88.00705
392.0478 94.50409
392.5299 102.1657
393.0121 111.0722
393.4942 121.0393
393.9763 131.9690
394.4584 143.8142
394.9405 156.7603
395.4226 172.1566
395.9048 186.8756
396.3869 199.5656
396.8690 211.7360
397.3511 225.2839
397.8332 240.7723
398.3153 257.6844
398.7975 275.0128
399.2796 292.5645
399.7617 311.6199
400.2438 333.3357
400.7259 355.1350
401.2080 375.3178
401.6902 394.1418
402.1723 412.7370
402.6544 432.0213
403.1365 451.9387
403.6186 471.7242
404.1007 491.6860
404.5829 510.9748
405.0650 529.9130
405.5471 547.7465
406.0292 563.5065
406.5113 576.8858
406.9934 588.6088
407.4756 600.3871
407.9577 613.2446
408.4398 622.7778
408.9219 627.0638
409.4040 628.9868
409.8861 629.9024
410.3683 629.9830
410.8504 628.8090
411.3325 626.0699
411.8146 621.7098
412.2967 615.6367
412.7788 607.4473
413.2610 598.0952
413.7431 588.3716
414.2252 577.7953
414.7073 565.4951
415.1894 550.8597
415.6715 534.9464
416.1537 518.8118
416.6358 502.3823
417.1179 486.3440
417.6000 471.0362
418.0821 456.0512
418.5642 440.5368
419.0464 424.4622
419.5285 409.2432
420.0106 395.9356
420.4927 383.9926
420.9748 372.2328
421.4569 360.3831
421.9391 349.3115
422.4212 340.3622
422.9033 332.7173
423.3854 323.6958
423.8675 311.6809
424.3496 299.5043
424.8318 289.4384
425.3139 280.9250
425.7960 272.1340
426.2781 262.5049
426.7602 251.9297
427.2423 239.8258
427.7245 225.5864
428.2066 212.1797
428.6887 200.1401
429.1708 189.2018
429.6529 179.3123
430.1350 170.4048
430.6172 161.8562
431.0992 152.9606
431.5814 143.5837
432.0635 135.0957
432.5456 127.5238
433.0277 120.7636
433.5098 114.9866
433.9919 109.9824
434.4741 105.3072
434.9562 100.8159
435.4383 96.95123
435.9204 94.54343
436.4025 94.79108
436.8846 93.99268
437.3668 91.56064
437.8489 88.58911
438.3310 85.64285
438.8131 82.77908
439.2952 79.89389
439.7773 77.00967
440.2595 74.05020
440.7416 70.11035
441.2237 64.67456
441.7058 58.89951
442.1879 53.11914
442.6700 47.21439
443.1522 40.78238
443.6343 33.65439
444.1164 26.79337
444.5985 21.66809
445.0806 18.47983
445.5627 14.60040
446.0449 8.477417
446.5270 2.952728
447.0091 3.9703000E-02
447.4912 0.8837280
447.9733 1.224701
448.4554 1.720367
448.9376 2.294861
449.4197 2.758636
449.9018 3.077271
450.3839 3.602295
450.8660 4.851746
451.3481 6.214172
451.8303 6.562378
452.3124 5.488861
452.7945 4.496643
453.2766 4.494568
453.7587 5.110565
454.2408 5.481567
454.7230 5.374390
455.2051 5.456390
455.6872 6.450439
456.1693 8.437836
456.6514 10.46585
457.1335 13.28168
457.6157 15.43115
458.0978 15.64923
458.5799 14.50986
459.0620 13.47354
459.5441 13.23672
460.0262 13.58450
460.5084 14.05719
460.9905 15.06161
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