#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:33:52 +0300 (Thu, 24 May 2018) $
#$Revision: 727 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000232.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_1000232
loop_
_publ_author_name
'Kolitsch, U.'
'Slade, P. G.'
'Tiekink, E. R. T.'
'Pring, A.'
_publ_section_title
;
 The structure of antimonian dussertite and the role of antimony in
 oxysalt minerals Locality: Clara mine, Black Forest, Germany
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              17
_journal_page_last               26
_journal_paper_doi               10.1180/002646199548277
_journal_volume                  63
_journal_year                    1999
_chemical_compound_source        R060398
_chemical_formula_sum            'As2 Ba Fe2.52 O14 Sb0.48'
_chemical_name_mineral           Dussertite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.410
_cell_length_b                   7.410
_cell_length_c                   17.4840
_cell_volume                     831.396
_exptl_crystal_density_diffrn    4.256
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ba (Fe2.52 Sb.48) As2 O14'
_cod_database_code               9009512
_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            R060398.rod
_rod_data_source.block           3500000
_rod_database.code               1000232
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 9009512 COD http://www.crystallography.net/cod/9009512.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
168.6560 0.0000000E+00
169.1381 4.768860
169.6203 2.153748
170.1024 1.816101
170.5845 8.548035
171.0666 27.24274
171.5487 51.39459
172.0309 79.86469
172.5130 110.8181
172.9951 142.7217
173.4772 175.8293
173.9593 210.9262
174.4414 247.5659
174.9236 286.0956
175.4057 326.9521
175.8878 370.5282
176.3699 413.6912
176.8520 452.9977
177.3341 490.2057
177.8163 529.4536
178.2984 570.8516
178.7805 615.3091
179.2626 664.4519
179.7447 717.3817
180.2268 774.3041
180.7090 833.1210
181.1911 894.9535
181.6732 963.1320
182.1553 1037.301
182.6374 1119.068
183.1195 1210.013
183.6017 1311.467
184.0838 1420.286
184.5659 1536.240
185.0480 1658.150
185.5301 1787.119
186.0123 1926.115
186.4944 2072.628
186.9765 2216.434
187.4586 2360.274
187.9407 2495.468
188.4228 2616.388
188.9050 2721.795
189.3871 2800.852
189.8692 2849.410
190.3513 2867.242
190.8334 2851.126
191.3155 2800.094
191.7977 2718.179
192.2798 2606.030
192.7619 2463.864
193.2440 2309.997
193.7261 2147.486
194.2082 1978.436
194.6904 1815.533
195.1725 1657.893
195.6546 1506.159
196.1367 1367.485
196.6188 1241.269
197.1009 1126.167
197.5831 1020.719
198.0652 924.3164
198.5473 840.5778
199.0294 769.5747
199.5115 708.0359
199.9937 650.4589
200.4758 597.3627
200.9579 547.6407
201.4400 502.8933
201.9221 464.3173
202.4042 429.3588
202.8864 397.9933
203.3685 369.9619
203.8506 344.9891
204.3327 323.6646
204.8148 303.8907
205.2969 284.5969
205.7791 265.6781
206.2612 247.9398
206.7433 231.4677
207.2254 216.1540
207.7075 201.8914
208.1896 188.8558
208.6718 176.2365
209.1539 163.2924
209.6360 149.9407
210.1181 137.3226
210.6002 125.3872
211.0823 114.2939
211.5645 104.5275
212.0466 96.18085
212.5287 88.88171
213.0108 82.81519
213.4929 78.58087
213.9750 73.01843
214.4572 65.41888
214.9393 56.62744
215.4214 48.87708
215.9035 42.38574
216.3856 36.39539
216.8678 30.65552
217.3499 25.02856
217.8320 19.75641
218.3141 15.00940
218.7962 10.58698
219.2783 5.806702
219.7605 0.1864010
220.2426 4.867310
220.7247 8.428528
221.2068 9.941162
221.6889 11.50378
222.1710 13.11261
222.6532 14.82886
223.1353 16.81470
223.6174 19.36420
224.0995 21.74713
224.5816 23.68091
225.0637 25.43073
225.5459 26.04303
226.0280 24.89819
226.5101 23.86786
226.9922 24.10590
227.4743 26.45544
227.9564 28.46075
228.4386 29.04358
228.9207 27.88214
229.4028 26.18097
229.8849 23.87970
230.3670 21.11780
230.8492 18.28040
231.3313 15.72742
231.8134 12.60852
232.2955 8.425110
232.7776 2.733887
233.2597 2.897583
233.7419 8.332153
234.2240 13.76190
234.7061 19.56311
235.1882 25.72028
235.6703 32.27521
236.1524 39.31189
236.6346 46.90497
237.1167 54.81305
237.5988 63.17590
238.0809 71.81091
238.5630 80.34863
239.0451 88.35297
239.5273 96.83325
240.0094 106.4456
240.4915 118.2905
240.9736 128.1688
241.4557 134.6437
241.9378 139.8008
242.4200 148.2129
242.9021 162.0538
243.3842 175.8507
243.8663 187.3370
244.3484 195.2803
244.8306 204.6577
245.3127 215.8650
245.7948 228.2244
246.2769 240.4516
246.7590 252.1420
247.2411 264.2056
247.7233 277.0724
248.2054 291.0906
248.6875 304.7531
249.1696 318.2220
249.6517 331.1354
250.1338 342.8440
250.6160 353.3452
251.0981 362.6807
251.5802 370.5568
252.0623 376.6536
252.5444 383.3817
253.0265 391.9529
253.5087 400.1335
253.9908 404.4252
254.4729 403.4119
254.9550 401.4594
255.4371 399.8423
255.9192 398.7920
256.4014 396.4159
256.8835 392.2509
257.3656 387.2233
257.8477 382.3098
258.3298 377.7237
258.8120 372.7459
259.2941 367.0844
259.7762 360.6614
260.2583 354.1873
260.7404 347.2804
261.2225 340.6689
261.7047 334.7623
262.1868 329.2296
262.6689 325.2385
263.1510 323.3721
263.6331 323.5778
264.1152 323.2367
264.5974 322.3494
265.0795 320.9223
265.5616 318.5526
266.0437 314.2097
266.5258 312.2592
267.0079 314.0448
267.4901 319.1654
267.9722 323.5674
268.4543 326.8319
268.9364 330.3325
269.4185 335.2935
269.9006 342.0203
270.3828 349.1110
270.8649 356.8399
271.3470 364.8085
271.8291 370.8834
272.3112 374.4187
272.7933 377.8485
273.2755 383.1042
273.7576 390.4727
274.2397 397.3026
274.7218 403.1232
275.2039 408.1782
275.6860 413.2662
276.1682 418.5042
276.6503 423.4530
277.1324 427.4321
277.6145 430.1132
278.0966 434.0023
278.5787 439.8149
279.0609 446.6516
279.5430 452.0592
280.0251 455.7123
280.5072 459.8596
280.9893 466.1064
281.4715 474.3609
281.9536 481.4335
282.4357 486.8605
282.9178 491.8099
283.3999 498.2722
283.8820 506.3778
284.3642 515.3148
284.8463 524.7902
285.3284 534.6397
285.8105 544.2324
286.2926 553.6185
286.7747 562.9750
287.2569 572.5566
287.7390 582.4376
288.2211 592.2282
288.7032 601.9404
289.1853 611.4352
289.6674 620.2742
290.1496 628.5179
290.6317 636.5491
291.1138 644.9924
291.5959 653.6390
292.0780 661.1933
292.5602 666.8188
293.0423 671.2943
293.5244 676.6214
294.0065 682.8254
294.4886 689.1788
294.9707 695.0573
295.4529 700.6054
295.9350 706.3036
296.4171 712.6887
296.8992 718.9734
297.3813 723.6498
297.8634 726.7761
298.3456 729.1184
298.8277 731.6569
299.3098 733.8064
299.7919 734.2606
300.2740 732.7448
300.7561 729.4279
301.2383 724.7479
301.7204 718.5649
302.2025 710.5527
302.6846 700.0565
303.1667 687.6901
303.6488 674.0325
304.1310 659.2241
304.6131 643.4003
305.0952 627.1757
305.5773 610.2547
306.0594 591.9257
306.5415 570.0375
307.0237 547.3021
307.5058 526.6707
307.9879 508.8821
308.4700 490.8542
308.9521 469.0393
309.4343 445.4094
309.9164 422.9451
310.3985 402.7038
310.8806 384.0423
311.3627 366.8782
311.8448 351.0582
312.3270 335.3705
312.8091 318.5872
313.2912 301.6494
313.7733 285.6693
314.2554 271.2697
314.7375 257.7319
315.2197 244.9120
315.7018 232.6527
316.1839 220.7004
316.6660 208.4687
317.1481 196.6673
317.6302 186.0923
318.1124 178.2595
318.5945 169.9229
319.0766 159.1693
319.5587 146.8109
320.0408 135.4958
320.5229 127.1974
321.0051 119.3671
321.4872 110.3266
321.9693 98.39191
322.4514 88.13947
322.9335 82.04517
323.4156 78.13971
323.8978 72.62744
324.3799 62.52563
324.8620 52.74084
325.3441 45.10095
325.8262 40.45190
326.3083 35.93933
326.7905 31.56824
327.2726 27.12891
327.7547 22.43182
328.2368 16.67499
328.7189 11.44061
329.2010 7.070679
329.6832 3.659058
330.1653 0.4929810
330.6474 2.501953
331.1295 5.196533
331.6116 7.493286
332.0938 9.070557
332.5759 10.79193
333.0580 12.91522
333.5401 15.34503
334.0222 17.15387
334.5043 18.06702
334.9865 18.76831
335.4686 19.70691
335.9507 21.07947
336.4328 22.20892
336.9149 23.22754
337.3970 23.91302
337.8792 23.56213
338.3613 21.90387
338.8434 19.96100
339.3255 18.04706
339.8076 16.09082
340.2898 14.71405
340.7719 14.10754
341.2540 13.70758
341.7361 12.64569
342.2182 10.89355
342.7003 8.901794
343.1825 6.789185
343.6646 4.554688
344.1467 2.311157
344.6288 1.2085000E-02
345.1109 2.165405
345.5930 4.175659
346.0752 5.964111
346.5573 7.186646
347.0394 7.338135
347.5215 7.236023
348.0036 8.919006
348.4857 12.34644
348.9679 16.20160
349.4500 19.49365
349.9321 22.47968
350.4142 25.93646
350.8963 30.09875
351.3784 34.50824
351.8606 38.43878
352.3427 42.00824
352.8248 45.75006
353.3069 49.78198
353.7890 54.18646
354.2711 59.43604
354.7533 65.67224
355.2354 71.61224
355.7175 75.63489
356.1996 78.60223
356.6817 82.01624
357.1638 86.86115
357.6460 92.12683
358.1281 97.39319
358.6102 102.5752
359.0923 107.1191
359.5744 110.7502
360.0565 113.5150
360.5387 115.3911
361.0208 115.4457
361.5029 115.7811
361.9850 117.6152
362.4671 120.5204
362.9492 123.1531
363.4314 124.0305
363.9135 125.2515
364.3956 128.1553
364.8777 133.7684
365.3598 139.0875
365.8419 142.6265
366.3241 145.6802
366.8062 150.1700
367.2883 158.1807
367.7704 165.8972
368.2526 172.3946
368.7347 177.6028
369.2168 181.8881
369.6989 185.1834
370.1810 187.6445
370.6631 189.5599
371.1453 192.6663
371.6274 192.5920
372.1095 188.2238
372.5916 180.0171
373.0737 171.1217
373.5558 161.1264
374.0380 150.9458
374.5201 140.8787
375.0022 130.8943
375.4843 121.4604
375.9664 112.7067
376.4485 104.4158
376.9307 95.64246
377.4128 86.03790
377.8949 77.72339
378.3770 71.78320
378.8591 68.14447
379.3412 64.94727
379.8234 62.04639
380.3055 60.17328
380.7876 60.52954
381.2697 63.01776
381.7518 65.73157
382.2339 68.09613
382.7161 70.39282
383.1982 73.14355
383.6803 76.34326
384.1624 80.59106
384.6445 86.89771
385.1266 94.53174
385.6088 101.5777
386.0909 107.4904
386.5730 113.3611
387.0551 120.0784
387.5372 127.6131
388.0193 136.0519
388.5015 146.0382
388.9836 156.5602
389.4657 166.3086
389.9478 175.2189
390.4299 184.6732
390.9120 195.5306
391.3942 207.4899
391.8763 220.0678
392.3584 233.9333
392.8405 247.7061
393.3226 260.1512
393.8047 271.6606
394.2869 284.1589
394.7690 299.0551
395.2511 314.7545
395.7332 330.3303
396.2154 345.5224
396.6975 361.0165
397.1796 377.2332
397.6617 393.9935
398.1438 410.7861
398.6259 427.0334
399.1081 443.8682
399.5902 461.9806
400.0723 481.7491
400.5544 500.6068
401.0365 518.2920
401.5186 535.3250
402.0008 551.9231
402.4829 568.3209
402.9650 584.0311
403.4471 599.5411
403.9292 614.3217
404.4113 625.7897
404.8935 633.5793
405.3756 639.0421
405.8577 642.8152
406.3398 644.8751
406.8219 645.6467
407.3040 645.5742
407.7862 643.3914
408.2683 636.8889
408.7504 626.0163
409.2325 613.3892
409.7146 599.6562
410.1967 584.9871
410.6789 568.9268
411.1610 551.4597
411.6431 533.2356
412.1252 515.2299
412.6073 497.0533
413.0894 477.4547
413.5716 456.1829
414.0537 434.3660
414.5358 412.9716
415.0179 392.3157
415.5000 372.7123
415.9821 354.2833
416.4643 337.2471
416.9464 322.4953
417.4285 310.3054
417.9106 297.7808
418.3927 282.3631
418.8748 265.7180
419.3570 250.1030
419.8391 236.3270
420.3212 223.5063
420.8033 211.0383
421.2854 199.0947
421.7675 188.1974
422.2497 178.9411
422.7318 170.4581
423.2139 162.4526
423.6960 155.1590
424.1781 147.8172
424.6602 139.9147
425.1424 132.0803
425.6245 125.3114
426.1066 120.0623
426.5887 115.4209
427.0709 111.4942
427.5530 108.2764
428.0351 104.4005
428.5172 99.27936
428.9993 94.22693
429.4814 90.16455
429.9636 87.22028
430.4457 84.80615
430.9278 83.03363
431.4099 81.60162
431.8920 79.75433
432.3741 77.38416
432.8563 75.31311
433.3384 73.99158
433.8205 73.32007
434.3026 72.63202
434.7847 71.90283
435.2668 71.32892
435.7490 70.98901
436.2311 70.94562
436.7132 71.46722
437.1953 72.76642
437.6774 74.46198
438.1595 76.06555
438.6417 77.63013
439.1238 79.37537
439.6059 81.71655
440.0880 84.16620
440.5701 85.96234
441.0522 86.86292
441.5344 88.35699
442.0165 91.70184
442.4986 96.07440
442.9807 100.4517
443.4628 103.5955
443.9449 107.5621
444.4271 113.6143
444.9092 121.3939
445.3913 128.8947
445.8734 134.0056
446.3555 139.7789
446.8376 147.8928
447.3198 159.8429
447.8019 171.6542
448.2840 182.4152
448.7661 193.1359
449.2482 205.2059
449.7303 218.9706
450.2125 233.4507
450.6946 248.4169
451.1767 263.9930
451.6588 280.8135
452.1409 298.8646
452.6230 318.2749
453.1052 338.6528
453.5873 360.1066
454.0694 384.5260
454.5515 412.4179
455.0337 442.5475
455.5158 472.0450
455.9979 501.1370
456.4800 531.1701
456.9621 562.9672
457.4442 596.5660
457.9264 632.1733
458.4085 669.6008
458.8906 708.6808
459.3727 748.9444
459.8548 790.4716
460.3369 832.5191
460.8191 875.1363
461.3012 919.2996
461.7833 965.7892
462.2654 1014.323
462.7475 1064.186
463.2296 1114.458
463.7118 1167.332
464.1939 1224.724
464.6760 1287.272
465.1581 1350.402
465.6402 1411.425
466.1223 1472.777
466.6045 1535.382
467.0866 1602.526
467.5687 1666.682
468.0508 1727.893
468.5329 1786.128
469.0150 1842.585
469.4972 1900.292
469.9793 1950.741
470.4614 1991.512
470.9435 2022.693
471.4256 2042.931
471.9077 2052.555
472.3899 2050.703
472.8720 2036.483
473.3541 2009.498
473.8362 1971.533
474.3183 1921.995
474.8004 1862.611
475.2826 1795.025
475.7647 1719.554
476.2468 1640.773
476.7289 1559.484
477.2110 1476.463
477.6931 1394.298
478.1753 1312.662
478.6574 1232.903
479.1395 1156.106
479.6216 1081.905
480.1037 1009.374
480.5858 936.4652
481.0680 868.1044
481.5501 808.6288
482.0322 755.9667
482.5143 706.3793
482.9964 659.2093
483.4786 614.1039
483.9607 570.5328
484.4428 528.7895
484.9249 489.5873
485.4070 453.0678
485.8892 419.5664
486.3713 389.4895
486.8534 365.2515
487.3355 341.1094
487.8176 316.3033
488.2997 291.7822
488.7819 268.9739
489.2640 247.8183
489.7461 228.3048
490.2282 210.5121
490.7103 194.2673
491.1924 179.6476
491.6746 166.7706
492.1567 154.5957
492.6388 142.0155
493.1209 129.0921
493.6030 118.2738
494.0851 110.1468
494.5673 102.9597
495.0494 94.21808
495.5315 84.26868
496.0136 74.72839
496.4957 66.12012
496.9778 58.38281
497.4600 51.06818
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1302.596 0.0000000E+00
