#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:41:35 +0300 (Thu, 07 Jun 2018) $
#$Revision: 926 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000399.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_1000399
loop_
_publ_author_name
'Moore, P. B.'
'Araki, T.'
_publ_section_title
;
 Bahianite, Al5Sb3O14(O,OH)2, a novel hexagonal close-packed oxide
 structure Locality: Serra de Mangabeira, Bahia, Brazil
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              113
_journal_page_last               125
_journal_volume                  126
_journal_year                    1976
_chemical_compound_source        R050627
_chemical_formula_sum            'Al4.76 Fe0.34 O16 Sb2.9'
_chemical_name_mineral           Bahianite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.94
_cell_angle_gamma                90
_cell_length_a                   9.406
_cell_length_b                   11.541
_cell_length_c                   4.410
_cell_volume                     478.662
_exptl_crystal_density_diffrn    5.249
_cod_original_formula_sum        'Sb2.9 Fe.34 Al4.76 O16'
_cod_database_code               9009247
_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            R050627.rod
_rod_data_source.block           3500000
_rod_database.code               1000399
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 9009247 COD http://www.crystallography.net/cod/9009247.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
149.9335 0.0000000E+00
150.4157 2.397217
150.8978 0.7854000
151.3799 12.37549
151.8620 27.07251
152.3441 45.73633
152.8262 65.33911
153.3084 80.01074
153.7905 86.60352
154.2726 91.00439
154.7547 94.88696
155.2368 96.11206
155.7189 100.0007
156.2011 107.6736
156.6832 119.2285
157.1653 132.8064
157.6474 150.1443
158.1295 166.0745
158.6116 177.8152
159.0938 179.5991
159.5759 184.7178
160.0580 196.0664
160.5401 213.2019
161.0222 234.7493
161.5044 262.8777
161.9865 293.6558
162.4686 325.3884
162.9507 361.6150
163.4328 401.8762
163.9149 445.3730
164.3971 488.3115
164.8792 521.6987
165.3613 541.1873
165.8434 547.2424
166.3255 543.7441
166.8076 532.9089
167.2898 511.2693
167.7719 473.8594
168.2540 421.9446
168.7361 365.9814
169.2182 305.8884
169.7003 246.9785
170.1825 195.6086
170.6646 154.8042
171.1467 121.8511
171.6288 95.15820
172.1109 74.75854
172.5931 57.85303
173.0752 43.21411
173.5573 30.62695
174.0394 19.74683
174.5215 10.85352
175.0036 3.376221
175.4858 3.496826
175.9679 9.853027
176.4500 14.50000
176.9321 15.98096
177.4142 14.97705
177.8963 13.10327
178.3785 10.12085
178.8606 6.890381
179.3427 6.009033
179.8248 7.837158
180.3069 7.967529
180.7890 0.1616210
181.2712 14.22510
181.7533 26.70288
182.2354 31.46875
182.7175 32.47754
183.1996 38.58105
183.6818 50.75073
184.1639 64.58594
184.6460 76.61743
185.1281 86.58032
185.6102 93.82202
186.0923 95.85669
186.5745 94.66089
187.0566 96.42944
187.5387 101.7632
188.0208 109.0647
188.5029 117.5427
188.9850 126.9685
189.4672 134.8945
189.9493 138.5645
190.4314 139.3608
190.9135 143.9294
191.3956 152.9070
191.8777 164.5266
192.3599 175.5413
192.8420 185.7212
193.3241 198.8098
193.8062 216.3657
194.2883 238.4761
194.7704 264.6660
195.2526 295.4041
195.7347 329.1160
196.2168 363.7649
196.6989 399.4597
197.1810 434.1426
197.6632 468.8757
198.1453 503.9280
198.6274 528.9744
199.1095 543.2595
199.5916 547.6926
200.0737 543.3076
200.5559 529.8081
201.0380 510.0549
201.5201 486.3347
202.0022 458.8213
202.4843 422.3518
202.9664 374.8262
203.4486 320.2256
203.9307 264.9924
204.4128 207.6262
204.8949 157.6567
205.3770 120.8691
205.8591 98.13477
206.3413 82.59424
206.8234 75.40918
207.3055 73.97241
207.7876 71.54907
208.2697 67.08179
208.7519 64.04028
209.2340 64.07471
209.7161 67.17920
210.1982 73.28052
210.6803 83.51514
211.1624 96.06909
211.6446 105.3096
212.1267 109.2681
212.6088 114.5928
213.0909 125.6841
213.5730 144.6821
214.0551 161.2246
214.5373 173.9927
215.0194 184.3679
215.5015 196.4751
215.9836 210.3381
216.4657 226.1526
216.9478 245.1384
217.4300 269.2803
217.9121 290.2234
218.3942 307.0762
218.8763 320.4734
219.3584 332.0400
219.8405 341.6150
220.3227 349.2639
220.8048 355.1648
221.2869 359.9468
221.7690 361.4885
222.2511 361.0532
222.7333 356.9355
223.2154 344.1162
223.6975 321.5679
224.1796 291.9968
224.6617 255.0820
225.1438 205.8467
225.6260 162.7749
226.1081 126.7629
226.5902 97.25293
227.0723 74.01587
227.5544 58.79639
228.0365 46.81177
228.5187 36.04932
229.0008 26.85645
229.4829 17.81909
229.9650 7.794434
230.4471 1.888672
230.9292 7.489990
231.4114 7.328613
231.8935 5.863281
232.3756 5.168457
232.8577 6.112061
233.3398 6.661133
233.8220 7.239502
234.3041 7.221436
234.7862 4.958984
235.2683 1.081543
235.7504 7.445068
236.2325 12.68872
236.7147 15.51025
237.1968 20.07764
237.6789 25.02148
238.1610 32.24829
238.6431 46.46460
239.1252 70.24048
239.6074 96.37256
240.0895 122.1228
240.5716 145.9026
241.0537 173.5864
241.5358 207.8955
242.0179 244.8086
242.5001 276.2327
242.9822 299.7539
243.4643 321.5640
243.9464 343.6213
244.4285 366.0391
244.9106 388.3330
245.3928 411.1289
245.8749 433.4407
246.3570 453.2751
246.8391 468.7554
247.3212 484.8083
247.8034 502.8530
248.2855 523.0049
248.7676 544.8674
249.2497 567.9175
249.7318 593.2761
250.2139 622.5234
250.6961 655.6504
251.1782 692.9355
251.6603 734.4485
252.1424 780.1489
252.6245 831.6350
253.1066 888.9531
253.5888 952.4553
254.0709 1023.506
254.5530 1102.223
255.0351 1188.903
255.5172 1284.918
255.9993 1392.037
256.4815 1495.890
256.9636 1600.230
257.4457 1695.906
257.9278 1778.655
258.4099 1864.147
258.8921 1900.748
259.3742 1874.860
259.8563 1786.487
260.3384 1654.628
260.8205 1463.038
261.3026 1251.493
261.7848 1052.310
262.2669 861.8149
262.7490 698.8801
263.2311 571.5955
263.7132 478.0217
264.1953 398.4788
264.6775 335.2393
265.1596 283.2971
265.6417 239.0857
266.1238 203.5876
266.6059 172.8425
267.0880 147.0884
267.5702 125.7500
268.0523 106.4563
268.5344 89.06055
269.0165 73.61963
269.4986 59.75659
269.9807 47.02515
270.4629 37.56543
270.9450 33.16040
271.4271 32.86475
271.9092 33.10352
272.3913 33.52466
272.8734 33.43677
273.3556 31.48560
273.8377 26.74731
274.3198 27.10742
274.8019 34.54346
275.2840 46.21265
275.7661 53.89648
276.2483 56.57080
276.7304 59.59912
277.2125 66.52832
277.6946 77.66138
278.1768 87.65161
278.6589 95.59253
279.1410 102.7014
279.6231 112.1965
280.1052 124.8989
280.5873 136.1887
281.0695 142.2896
281.5516 143.3547
282.0337 147.8914
282.5158 156.5618
282.9979 167.7808
283.4800 179.4927
283.9622 191.7114
284.4443 203.6304
284.9264 214.7485
285.4085 225.0422
285.8906 235.0222
286.3727 244.1851
286.8549 254.6748
287.3370 269.9133
287.8191 289.6887
288.3012 310.0491
288.7833 328.8962
289.2654 347.0273
289.7476 368.6216
290.2297 394.2458
290.7118 418.9255
291.1939 435.6365
291.6760 445.7693
292.1581 459.1052
292.6403 481.5300
293.1224 507.5166
293.6045 526.1729
294.0866 537.3708
294.5687 540.3496
295.0508 535.1194
295.5330 521.1479
296.0151 496.3538
296.4972 458.2932
296.9793 411.0232
297.4614 359.3367
297.9435 303.6270
298.4257 250.6763
298.9078 206.2498
299.3899 168.2588
299.8720 132.5513
300.3541 96.46729
300.8362 65.77075
301.3184 50.08545
301.8005 46.76392
302.2826 45.47974
302.7647 40.18164
303.2469 32.98413
303.7290 26.48267
304.2111 20.74561
304.6932 16.92871
305.1753 16.54810
305.6574 19.01270
306.1396 22.91455
306.6217 29.87451
307.1038 36.74756
307.5859 39.46460
308.0680 37.42114
308.5501 35.33252
309.0323 36.25098
309.5144 39.56055
309.9965 44.25098
310.4786 51.29858
310.9607 58.67432
311.4428 64.81128
311.9250 69.70044
312.4071 74.54761
312.8892 80.01514
313.3713 85.68970
313.8534 91.18042
314.3355 94.02563
314.8177 98.72632
315.2998 108.1353
315.7819 121.6074
316.2640 136.1255
316.7461 151.6973
317.2282 166.8213
317.7104 180.6421
318.1925 193.6677
318.6746 204.2551
319.1567 211.7759
319.6388 216.4614
320.1209 218.6824
320.6031 218.2102
321.0852 215.5559
321.5673 211.1045
322.0494 205.2886
322.5315 196.8396
323.0136 185.3164
323.4958 171.0869
323.9779 154.7307
324.4600 135.2151
324.9421 114.6279
325.4242 93.10278
325.9064 69.72632
326.3885 49.28491
326.8706 33.81787
327.3527 20.85864
327.8348 7.605713
328.3170 11.53174
328.7991 25.06616
329.2812 29.11475
329.7633 23.42236
330.2454 20.64819
330.7275 23.62598
331.2097 27.40991
331.6918 28.50977
332.1739 25.28345
332.6560 22.16016
333.1381 19.66797
333.6202 17.71191
334.1024 16.00781
334.5845 15.38306
335.0666 13.90576
335.5487 10.24072
336.0308 3.294678
336.5129 2.638916
336.9951 7.556396
337.4772 11.45972
337.9593 14.11157
338.4414 14.70898
338.9235 16.77173
339.4056 22.64893
339.8878 32.79956
340.3699 39.83545
340.8520 42.61182
341.3341 44.62549
341.8162 51.12256
342.2983 62.45825
342.7805 73.54297
343.2626 82.45996
343.7447 89.73193
344.2268 97.75366
344.7089 106.6431
345.1910 115.6711
345.6732 123.0962
346.1553 129.4426
346.6374 138.4387
347.1195 151.3328
347.6016 166.8560
348.0837 182.5200
348.5659 198.5452
349.0480 215.8511
349.5301 235.9336
350.0122 257.8516
350.4944 278.9717
350.9765 299.5479
351.4586 317.4438
351.9407 329.4285
352.4228 336.2109
352.9049 340.0251
353.3871 344.1580
353.8692 345.0764
354.3513 337.3867
354.8334 320.6099
355.3155 299.4224
355.7976 275.5886
356.2798 249.8984
356.7619 223.3950
357.2440 194.7522
357.7261 166.9946
358.2082 142.3235
358.6903 120.5532
359.1725 100.6284
359.6546 80.68311
360.1367 62.89111
360.6188 49.59766
361.1009 43.42456
361.5830 38.76709
362.0652 31.95288
362.5473 24.79883
363.0294 21.76611
363.5115 30.30322
363.9936 38.82568
364.4757 40.53076
364.9579 31.94385
365.4400 25.80371
365.9221 25.45093
366.4042 28.75122
366.8863 32.99512
367.3684 36.74927
367.8506 42.56689
368.3327 51.98462
368.8148 65.37891
369.2969 77.37134
369.7790 86.51978
370.2611 95.33032
370.7433 105.5166
371.2254 116.7390
371.7075 129.6921
372.1896 145.3394
372.6717 162.8796
373.1538 178.6223
373.6360 191.7952
374.1181 204.2937
374.6002 216.5720
375.0823 228.2842
375.5645 241.4971
376.0466 256.8823
376.5287 272.8394
377.0108 287.4209
377.4929 300.5962
377.9750 309.8923
378.4572 312.6138
378.9393 309.9502
379.4214 313.2620
379.9035 323.6521
380.3856 336.1646
380.8677 344.9309
381.3499 350.3965
381.8320 358.4478
382.3141 370.6758
382.7962 386.2283
383.2783 404.0652
383.7604 423.5234
384.2426 442.7637
384.7247 461.9185
385.2068 480.2676
385.6889 496.5005
386.1710 509.1528
386.6531 519.8594
387.1353 531.6250
387.6174 543.9622
388.0995 554.2332
388.5816 560.7468
389.0637 564.5081
389.5458 566.3667
390.0280 566.8677
390.5101 567.5588
390.9922 568.0625
391.4743 569.5930
391.9564 573.7156
392.4385 580.9443
392.9207 590.9915
393.4028 603.3735
393.8849 618.5500
394.3670 637.3633
394.8491 659.1226
395.3312 684.7224
395.8134 715.0476
396.2955 751.2610
396.7776 789.3010
397.2597 827.7185
397.7418 868.7678
398.2239 908.8813
398.7061 954.5361
399.1882 1000.553
399.6703 1046.774
400.1524 1093.361
400.6346 1137.717
401.1167 1175.094
401.5988 1213.845
402.0809 1259.874
402.5630 1317.842
403.0451 1374.010
403.5273 1425.778
404.0094 1475.190
404.4915 1527.191
404.9736 1581.775
405.4557 1639.135
405.9378 1700.973
406.4200 1767.925
406.9021 1831.344
407.3842 1889.821
407.8663 1946.550
408.3484 2006.805
408.8305 2071.041
409.3127 2130.086
409.7948 2181.752
410.2769 2226.535
410.7590 2268.131
411.2411 2306.819
411.7232 2330.660
412.2054 2332.381
412.6875 2312.471
413.1696 2272.320
413.6517 2211.141
414.1338 2132.057
414.6159 2036.539
415.0981 1926.158
415.5802 1805.688
416.0623 1671.242
416.5444 1531.571
417.0265 1397.393
417.5086 1267.871
417.9908 1144.945
418.4729 1030.357
418.9550 923.5269
419.4371 825.6719
419.9192 734.7861
420.4013 654.0981
420.8835 587.0278
421.3656 531.7158
421.8477 481.3098
422.3298 435.6333
422.8119 393.7471
423.2940 355.1108
423.7762 320.6462
424.2583 287.6362
424.7404 254.6333
425.2225 223.9385
425.7047 197.2451
426.1868 176.0056
426.6689 157.3005
427.1510 141.1189
427.6331 127.3313
428.1152 113.5371
428.5974 98.57910
429.0795 85.13062
429.5616 75.07666
430.0437 69.42529
430.5258 62.76318
431.0079 54.45630
431.4901 45.54175
431.9722 38.12793
432.4543 32.40454
432.9364 26.10620
433.4185 17.23755
433.9006 7.042725
434.3828 2.168213
434.8649 2.932129
435.3470 5.137695
435.8291 5.817627
436.3112 4.983154
436.7933 2.434814
437.2755 2.152832
437.7576 7.680908
438.2397 12.72144
438.7218 17.45654
439.2039 22.58887
439.6860 31.30933
440.1682 39.05835
440.6503 39.69727
441.1324 32.64844
441.6145 25.91040
442.0966 24.69580
442.5787 26.25684
443.0609 27.65356
443.5430 28.75366
444.0251 28.89233
444.5072 27.60596
444.9893 25.16846
445.4714 22.45850
445.9536 18.70044
446.4357 15.45386
446.9178 13.65601
447.3999 14.36279
447.8820 13.46802
448.3641 9.091309
448.8463 3.933350
449.3284 0.9738770
449.8105 2.006592
450.2926 1.818115
450.7747 0.8432620
451.2569 5.561523
451.7390 9.251953
452.2211 11.06128
452.7032 13.97388
453.1853 20.32251
453.6674 30.39038
454.1496 38.72510
454.6317 44.73462
455.1138 49.89600
455.5959 56.55713
456.0780 64.56763
456.5602 71.63477
457.0423 76.63013
457.5244 80.41431
458.0065 83.66309
458.4886 86.64771
458.9707 92.48389
459.4529 105.1741
459.9350 121.7913
460.4171 137.1260
460.8992 150.1108
461.3813 163.9819
461.8634 180.9106
462.3456 200.6016
462.8277 222.1069
463.3098 245.2632
463.7919 270.2605
464.2740 298.6497
464.7561 330.0027
465.2383 358.9241
465.7204 384.2390
466.2025 406.2507
466.6846 424.2544
467.1667 431.1543
467.6488 445.2490
468.1310 470.0217
468.6131 501.8679
469.0952 536.0801
469.5773 574.1565
470.0594 611.8369
470.5415 646.9922
471.0237 679.8264
471.5058 720.2192
471.9879 769.1858
472.4700 823.7322
472.9521 881.5693
473.4342 943.0210
473.9164 1006.846
474.3985 1074.450
474.8806 1142.731
475.3627 1208.274
475.8448 1270.869
476.3270 1328.621
476.8091 1382.583
477.2912 1429.892
477.7733 1468.487
478.2554 1497.632
478.7375 1505.850
479.2197 1486.430
479.7018 1439.916
480.1839 1364.030
480.6660 1252.215
481.1481 1129.840
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1301.712 0.4008790
1302.194 9.7660003E-03
1302.676 0.0000000E+00
