#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:52:20 +0300 (Thu, 07 Jun 2018) $
#$Revision: 978 $
#$URL: svn://172.16.1.111/rod/cif/2/10/00/2100042.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_2100042
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 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            R050126.rod
_rod_data_source.block           3500000
_rod_database.code               2100042
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
152.6447 0.0000000E+00
153.1268 2.333252
153.6089 0.6421810
154.0910 1.5594000E-02
154.5732 4.868164
155.0553 11.54120
155.5374 19.19824
156.0195 27.83020
156.5016 36.54453
156.9837 45.02225
157.4659 53.56244
157.9480 62.54684
158.4301 71.62524
158.9122 81.09058
159.3943 90.83133
159.8764 99.85242
160.3586 110.7564
160.8407 124.7488
161.3228 141.7025
161.8049 160.6529
162.2870 180.5002
162.7691 201.9529
163.2513 225.7104
163.7334 253.0654
164.2155 281.2969
164.6976 310.2727
165.1797 339.5430
165.6618 367.3882
166.1440 393.4959
166.6261 417.3887
167.1082 438.3545
167.5903 453.4467
168.0724 469.7318
168.5545 490.2894
169.0367 514.5322
169.5188 546.1778
170.0009 586.9640
170.4830 635.4324
170.9651 691.2997
171.4472 761.4820
171.9293 829.9261
172.4115 892.3826
172.8936 947.6389
173.3757 976.8832
173.8578 963.7272
174.3399 916.1458
174.8220 845.5781
175.3042 738.7697
175.7863 621.2062
176.2684 515.8903
176.7505 422.7666
177.2326 341.8442
177.7147 275.9941
178.1969 222.6718
178.6790 177.9737
179.1611 142.3798
179.6432 113.7669
180.1253 89.59482
180.6074 70.04166
181.0896 53.89023
181.5717 40.87067
182.0538 30.63318
182.5359 21.55307
183.0180 12.82678
183.5001 4.937408
183.9823 0.7565920
184.4644 4.086121
184.9465 6.043121
185.4286 7.527618
185.9107 8.534332
186.3928 8.957214
186.8750 8.347351
187.3571 7.094452
187.8392 6.669220
188.3213 7.321625
188.8034 7.797546
189.2855 6.172668
189.7677 2.631805
190.2498 1.077789
190.7319 3.725159
191.2140 5.681183
191.6961 9.185303
192.1782 14.56921
192.6604 20.56332
193.1425 24.77280
193.6246 27.19797
194.1067 30.45309
194.5888 36.30414
195.0709 44.42575
195.5531 51.81647
196.0352 58.43005
196.5173 64.41049
196.9994 69.90454
197.4815 74.86893
197.9636 79.73425
198.4458 85.00284
198.9279 90.67685
199.4100 95.24786
199.8921 98.48618
200.3742 100.9711
200.8563 103.6426
201.3385 106.5372
201.8206 109.7397
202.3027 113.3378
202.7848 117.4544
203.2669 121.0865
203.7490 123.7344
204.2311 126.5008
204.7133 132.0248
205.1954 142.5150
205.6775 155.9379
206.1596 171.1661
206.6417 187.5683
207.1238 200.7273
207.6060 210.9476
208.0881 218.3612
208.5702 221.8148
209.0523 221.1934
209.5344 217.0932
210.0165 209.3160
210.4987 197.6807
210.9808 184.9729
211.4629 170.5311
211.9450 155.7167
212.4271 143.6743
212.9092 134.6925
213.3914 127.7153
213.8735 122.2231
214.3556 118.1824
214.8377 115.9022
215.3198 115.3760
215.8019 116.6408
216.2841 119.8563
216.7662 125.2475
217.2483 132.1203
217.7304 140.5963
218.2125 151.5333
218.6946 161.1713
219.1768 169.7076
219.6589 176.7512
220.1410 181.8813
220.6231 185.5202
221.1052 186.4720
221.5873 183.7761
222.0695 176.0474
222.5516 168.5888
223.0337 161.2168
223.5158 154.2597
223.9979 147.9390
224.4800 141.6052
224.9622 137.1213
225.4443 135.5289
225.9264 137.7161
226.4085 140.4577
226.8906 143.6805
227.3727 147.4694
227.8549 152.2837
228.3370 158.3991
228.8191 165.0250
229.3012 172.1511
229.7833 180.4642
230.2654 187.4742
230.7476 193.7219
231.2297 198.4238
231.7118 199.9052
232.1939 198.3885
232.6760 193.3275
233.1581 183.9315
233.6402 168.4457
234.1224 153.4721
234.6045 138.5004
235.0866 124.0697
235.5687 111.2728
236.0508 99.52832
236.5329 90.18921
237.0151 84.09296
237.4972 82.12808
237.9793 80.74811
238.4614 79.78220
238.9435 79.46704
239.4256 80.18118
239.9078 81.56015
240.3899 84.51099
240.8720 89.77563
241.3541 98.43561
241.8362 105.2533
242.3183 110.2218
242.8005 113.5997
243.2826 115.9595
243.7647 118.3529
244.2468 118.0721
244.7289 113.9904
245.2110 105.3568
245.6932 96.20074
246.1753 86.80170
246.6574 76.59769
247.1395 64.29791
247.6216 47.54620
248.1037 33.32135
248.5859 23.79849
249.0680 19.68240
249.5501 16.27155
250.0322 12.65088
250.5143 10.41382
250.9964 11.99091
251.4786 19.11420
251.9607 26.94687
252.4428 34.83224
252.9249 42.98471
253.4070 49.04938
253.8891 54.17172
254.3713 56.14966
254.8534 51.75903
255.3355 38.21524
255.8176 23.97351
256.2997 10.24033
256.7818 2.969757
257.2639 13.68878
257.7461 21.78702
258.2282 27.57114
258.7103 31.27335
259.1924 32.87726
259.6745 32.46515
260.1566 29.75067
260.6388 24.74902
261.1209 19.43454
261.6030 13.79987
262.0851 7.781342
262.5672 1.372864
263.0493 5.559204
263.5315 12.64178
264.0136 19.63913
264.4957 26.63239
264.9778 34.88312
265.4599 44.84485
265.9420 55.18881
266.4242 64.42865
266.9063 71.89984
267.3884 80.89932
267.8705 92.38776
268.3526 105.7201
268.8347 117.8008
269.3169 127.9380
269.7990 138.0948
270.2811 149.7238
270.7632 162.9442
271.2453 176.6646
271.7274 190.5638
272.2096 205.0342
272.6917 221.7967
273.1738 240.8612
273.6559 262.6747
274.1380 287.4128
274.6201 315.3102
275.1023 346.1789
275.5844 380.3125
276.0665 416.9763
276.5486 457.2626
277.0307 502.3392
277.5128 545.3535
277.9950 585.0454
278.4771 622.1395
278.9592 646.4138
279.4413 657.8873
279.9234 656.2475
280.4055 639.3199
280.8877 605.9871
281.3698 565.6700
281.8519 520.3341
282.3340 470.0205
282.8161 422.4730
283.2982 377.5412
283.7804 335.5829
284.2625 297.7613
284.7446 263.9087
285.2267 233.4745
285.7088 206.6767
286.1909 183.2714
286.6731 161.5483
287.1552 141.4613
287.6373 123.1691
288.1194 107.4725
288.6015 94.20422
289.0836 81.78839
289.5658 69.49646
290.0479 57.69427
290.5300 47.51459
291.0121 39.02246
291.4942 32.35648
291.9763 28.02374
292.4585 25.85791
292.9406 24.67886
293.4227 24.33624
293.9048 24.68274
294.3869 25.47675
294.8690 26.72202
295.3512 28.26746
295.8333 29.71637
296.3154 31.31711
296.7975 34.21536
297.2796 39.27081
297.7617 44.74826
298.2439 47.57541
298.7260 47.99530
299.2081 48.13141
299.6902 48.94781
300.1723 50.56641
300.6544 53.48154
301.1366 58.01392
301.6187 63.12308
302.1008 67.46964
302.5829 71.25287
303.0650 75.39313
303.5471 79.98889
304.0293 85.36542
304.5114 92.05228
304.9935 100.2352
305.4756 109.2871
305.9577 118.2076
306.4398 127.5935
306.9220 138.8501
307.4041 152.7764
307.8862 168.8368
308.3683 186.9969
308.8504 207.1081
309.3326 229.1917
309.8147 252.9781
310.2968 278.8008
310.7789 305.9706
311.2610 335.9803
311.7431 367.5977
312.2252 400.8637
312.7073 435.6256
313.1895 469.9651
313.6716 504.4615
314.1537 537.3907
314.6358 566.4467
315.1179 593.5223
315.6000 613.2666
316.0822 623.4158
316.5643 624.2449
317.0464 616.5004
317.5285 596.3640
318.0106 570.5891
318.4927 543.5681
318.9749 514.2917
319.4570 486.7827
319.9391 462.4770
320.4212 441.0339
320.9033 420.9041
321.3854 401.6197
321.8676 383.4167
322.3497 366.5555
322.8318 351.4171
323.3139 336.7299
323.7960 322.8185
324.2781 309.1072
324.7603 294.5507
325.2424 277.7539
325.7245 261.2784
326.2066 245.8120
326.6887 231.4380
327.1708 217.8423
327.6530 204.8583
328.1351 192.7520
328.6172 181.6080
329.0993 171.5287
329.5814 162.3215
330.0635 153.8002
330.5457 145.9764
331.0278 139.3877
331.5099 134.5645
331.9920 130.5128
332.4741 126.6782
332.9562 122.6910
333.4384 119.4811
333.9205 117.5465
334.4026 116.4478
334.8847 114.3903
335.3668 110.5235
335.8489 106.9159
336.3311 104.5732
336.8132 103.8145
337.2953 103.3848
337.7774 103.4431
338.2595 103.7045
338.7416 103.5783
339.2238 102.8827
339.7059 102.3209
340.1880 102.1020
340.6701 102.2247
341.1522 102.7458
341.6343 103.6208
342.1165 105.0080
342.5986 107.3310
343.0807 110.7273
343.5628 113.8079
344.0449 115.8801
344.5270 117.4151
345.0092 120.5681
345.4913 125.4458
345.9734 131.3681
346.4555 137.7759
346.9376 144.6797
347.4197 152.6958
347.9019 161.9260
348.3840 172.2112
348.8661 183.4910
349.3482 195.7481
349.8303 209.3052
350.3124 224.7313
350.7946 241.6838
351.2767 259.1771
351.7588 277.1731
352.2409 296.4036
352.7230 317.9179
353.2051 341.5258
353.6873 367.1630
354.1694 395.7321
354.6515 425.6736
355.1336 455.3156
355.6157 485.0047
356.0978 513.3513
356.5800 540.7383
357.0621 566.1785
357.5442 588.3306
358.0263 609.4136
358.5084 624.5098
358.9905 630.0807
359.4727 626.4600
359.9548 615.7120
360.4369 598.7983
360.9190 575.4637
361.4011 544.8038
361.8832 503.6604
362.3654 460.9382
362.8475 418.8544
363.3296 378.0258
363.8117 339.5915
364.2938 304.2842
364.7759 271.6611
365.2581 241.5409
365.7402 213.8170
366.2223 188.9752
366.7044 167.2772
367.1865 148.5225
367.6686 132.0949
368.1508 119.7479
368.6329 108.0572
369.1150 96.14178
369.5971 83.97058
370.0792 73.14569
370.5613 65.16302
371.0435 57.51996
371.5256 48.66714
372.0077 37.00067
372.4898 26.53864
372.9719 17.24911
373.4540 9.198334
373.9361 2.545990
374.4182 2.718872
374.9004 6.443542
375.3825 8.274933
375.8646 7.681641
376.3467 7.505463
376.8288 8.016602
377.3109 8.625244
377.7931 8.501801
378.2752 7.584900
378.7573 6.209381
379.2394 4.295532
379.7215 1.969879
380.2036 0.1097720
380.6858 1.163971
381.1679 2.408203
381.6500 4.213745
382.1321 6.534943
382.6142 8.626007
383.0963 10.42465
383.5785 11.85999
384.0606 12.93207
384.5427 13.60822
385.0248 13.61340
385.5069 12.16016
385.9890 10.00110
386.4712 8.838440
386.9533 8.848816
387.4354 9.809082
387.9175 11.75061
388.3996 14.48166
388.8817 17.56946
389.3639 20.72696
389.8460 24.25830
390.3281 28.20630
390.8102 32.49527
391.2923 37.64581
391.7744 44.34311
392.2566 51.94089
392.7387 59.78125
393.2208 67.34930
393.7029 75.56653
394.1850 85.02957
394.6671 95.59317
395.1493 106.8190
395.6314 119.1165
396.1135 131.4114
396.5956 142.9926
397.0777 153.4689
397.5598 165.1223
398.0420 178.7709
398.5241 193.8167
399.0062 209.5148
399.4883 226.5581
399.9704 243.4124
400.4525 259.2497
400.9347 274.2130
401.4168 290.4102
401.8989 308.5968
402.3810 327.2680
402.8631 345.6384
403.3452 364.0559
403.8274 381.4964
404.3095 397.4308
404.7916 412.4314
405.2737 427.8029
405.7558 444.0967
406.2379 459.4387
406.7201 473.3488
407.2022 485.8464
407.6843 497.2745
408.1664 507.7423
408.6485 516.6752
409.1306 523.0546
409.6128 526.9211
410.0949 529.6427
410.5770 531.4988
411.0591 532.4911
411.5412 532.8004
412.0233 532.4321
412.5055 530.6700
412.9876 526.8920
413.4697 521.3368
413.9518 514.6041
414.4339 506.7909
414.9160 497.8537
415.3982 487.6575
415.8803 476.3831
416.3624 463.9835
416.8445 449.4438
417.3266 434.4044
417.8087 420.0112
418.2909 406.4070
418.7730 393.5132
419.2551 382.0931
419.7372 371.1729
420.2193 359.8615
420.7014 347.2268
421.1836 335.2588
421.6657 325.1399
422.1478 316.4553
422.6299 308.0417
423.1120 299.5800
423.5941 291.3527
424.0763 283.7308
424.5584 276.7707
425.0405 269.7842
425.5226 263.4715
426.0047 256.7101
426.4868 248.4488
426.9690 237.5600
427.4511 226.6719
427.9332 216.2954
428.4153 206.3221
428.8974 196.0422
429.3795 185.2612
429.8617 174.5862
430.3438 164.1970
430.8259 153.7415
431.3080 144.7348
431.7901 137.3965
432.2722 131.1781
432.7544 125.0851
433.2365 119.1401
433.7186 113.8701
434.2007 109.4438
434.6828 105.7315
435.1649 102.3991
435.6470 99.49078
436.1292 97.00302
436.6113 94.94437
437.0934 93.29761
437.5755 92.13388
438.0576 91.65308
438.5397 90.97424
439.0219 89.04831
439.5040 86.04767
439.9861 82.51190
440.4682 78.52942
440.9503 74.22809
441.4324 69.87482
441.9146 65.47571
442.3967 60.45639
442.8788 54.12820
443.3609 47.11673
443.8430 40.17276
444.3251 33.19812
444.8073 26.55936
445.2894 20.34525
445.7715 14.56210
446.2536 9.219757
446.7357 3.741547
447.2178 0.8231200
447.7000 3.923340
448.1821 5.233368
448.6642 6.342773
449.1463 7.308136
449.6284 8.102875
450.1105 8.671936
450.5927 8.810944
451.0748 9.145538
451.5569 10.04858
452.0390 11.18420
452.5211 10.98807
453.0032 8.995728
453.4854 6.938599
453.9675 5.670471
454.4496 5.186371
454.9317 5.225098
455.4138 5.927521
455.8959 6.731781
456.3781 6.777008
456.8602 6.159058
457.3423 5.873596
457.8244 6.393738
458.3065 7.281128
458.7886 7.722595
459.2708 7.742218
459.7529 7.703400
460.2350 7.841125
460.7171 8.049744
461.1992 8.217926
461.6813 8.398071
462.1635 8.262512
462.6456 7.155426
463.1277 5.640747
463.6098 4.559113
464.0919 4.429962
464.5740 4.638336
465.0562 4.949402
465.5383 5.358032
466.0204 5.821350
466.5025 6.248413
466.9846 6.759399
467.4667 7.408203
467.9489 8.080505
468.4310 9.120911
468.9131 10.80682
469.3952 12.77612
469.8773 14.59198
470.3594 16.37549
470.8416 17.80176
471.3237 18.82910
471.8058 19.45587
472.2879 19.55170
472.7700 19.04492
473.2521 18.18512
473.7343 17.22583
474.2164 16.19312
474.6985 14.47791
475.1806 11.93652
475.6627 8.937500
476.1448 6.151611
476.6270 3.459778
477.1091 0.1265870
477.5912 4.915833
478.0733 10.84857
478.5554 17.94397
479.0375 26.20471
479.5197 35.17633
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