#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:34:07 +0300 (Thu, 24 May 2018) $
#$Revision: 731 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000235.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_1000235
loop_
_publ_author_name
'Pabst, A.'
_publ_section_title
;
 Some computations on svanbergite, woodhouseite and alunite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              16
_journal_page_last               30
_journal_volume                  32
_journal_year                    1947
_chemical_compound_source        R060430
_chemical_formula_sum            'Al3 H6 K O14 S2'
_chemical_name_mineral           Alunite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                59.08
_cell_angle_beta                 59.08
_cell_angle_gamma                59.08
_cell_length_a                   7.058
_cell_length_b                   7.058
_cell_length_c                   7.058
_cell_volume                     243.402
_exptl_crystal_density_diffrn    2.826
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K Al3 S2 O14 H6'
_cod_database_code               9000034
_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            R060430.rod
_rod_data_source.block           3500000
_rod_database.code               1000235
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 9000034 COD http://www.crystallography.net/cod/9000034.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
181.6732 0.0000000E+00
182.1553 0.3252720
182.6374 5.0781000E-02
183.1195 0.1226650
183.6017 9.6878000E-02
184.0838 0.2252200
184.5659 8.8881999E-02
185.0480 0.2562560
185.5301 0.2746280
186.0123 0.3241120
186.4944 1.418365
186.9765 2.601013
187.4586 3.833527
187.9407 5.236526
188.4228 7.103729
188.9050 9.374664
189.3871 11.61420
189.8692 13.36549
190.3513 14.78542
190.8334 16.87308
191.3155 19.80296
191.7977 23.02159
192.2798 25.57875
192.7619 27.47714
193.2440 29.42596
193.7261 31.98157
194.2082 35.05481
194.6904 37.58656
195.1725 39.32611
195.6546 40.89375
196.1367 43.48891
196.6188 47.19113
197.1009 50.96506
197.5831 54.37871
198.0652 57.46234
198.5473 59.89688
199.0294 61.47285
199.5115 62.66185
199.9937 64.50055
200.4758 67.05411
200.9579 69.65529
201.4400 71.83057
201.9221 73.52704
202.4042 75.58189
202.8864 78.22626
203.3685 81.06366
203.8506 83.15070
204.3327 84.38834
204.8148 85.25357
205.2969 86.00162
205.7791 86.65219
206.2612 86.89267
206.7433 86.54080
207.2254 85.89523
207.7075 85.98215
208.1896 87.29907
208.6718 87.89880
209.1539 86.40189
209.6360 82.29416
210.1181 78.80522
210.6002 76.14545
211.0823 74.18512
211.5645 72.67694
212.0466 71.83044
212.5287 70.94420
213.0108 69.57831
213.4929 67.54816
213.9750 65.72903
214.4572 64.09393
214.9393 62.73300
215.4214 61.84137
215.9035 61.38060
216.3856 61.45735
216.8678 62.08859
217.3499 63.20027
217.8320 65.14069
218.3141 68.15137
218.7962 71.91011
219.2783 75.45093
219.7605 78.78873
220.2426 81.81158
220.7247 84.48090
221.2068 86.91351
221.6889 88.54721
222.1710 88.88785
222.6532 88.52142
223.1353 89.25174
223.6174 91.26593
224.0995 94.08249
224.5816 97.56560
225.0637 102.1122
225.5459 106.3342
226.0280 109.7295
226.5101 113.0205
226.9922 117.8989
227.4743 124.1542
227.9564 131.9777
228.4386 141.3047
228.9207 151.7673
229.4028 163.7788
229.8849 177.6519
230.3670 193.2476
230.8492 210.8785
231.3313 231.1453
231.8134 252.3787
232.2955 274.2407
232.7776 297.2717
233.2597 318.9146
233.7419 340.8465
234.2240 361.0768
234.7061 375.1096
235.1882 386.2429
235.6703 386.6549
236.1524 371.9171
236.6346 336.1932
237.1167 298.1134
237.5988 254.7825
238.0809 210.0362
238.5630 172.0692
239.0451 142.1084
239.5273 117.5131
240.0094 97.64102
240.4915 83.42741
240.9736 71.37526
241.4557 61.78606
241.9378 54.18144
242.4200 47.65591
242.9021 42.50519
243.3842 37.72469
243.8663 32.81332
244.3484 27.25322
244.8306 23.23006
245.3127 21.25069
245.7948 20.51561
246.2769 19.62822
246.7590 18.47325
247.2411 17.41953
247.7233 16.68834
248.2054 16.51727
248.6875 15.70782
249.1696 13.94814
249.6517 11.76543
250.1338 9.960327
250.6160 8.421951
251.0981 7.482880
251.5802 7.404968
252.0623 8.424957
252.5444 9.057571
253.0265 9.142441
253.5087 8.964645
253.9908 8.916306
254.4729 9.014542
254.9550 9.223160
255.4371 9.589310
255.9192 10.15691
256.4014 10.45627
256.8835 10.30565
257.3656 10.06354
257.8477 10.22588
258.3298 11.08240
258.8120 11.68276
259.2941 11.69701
259.7762 11.07364
260.2583 10.73782
260.7404 10.72478
261.2225 10.94354
261.7047 11.22505
262.1868 11.38110
262.6689 12.18985
263.1510 14.14781
263.6331 17.17352
264.1152 18.90659
264.5974 19.06020
265.0795 18.34985
265.5616 17.36745
266.0437 15.99873
266.5258 14.72330
267.0079 13.78340
267.4901 13.06908
267.9722 11.55807
268.4543 8.923569
268.9364 6.123276
269.4185 3.925980
269.9006 2.427170
270.3828 1.118469
270.8649 0.1259610
271.3470 1.243301
271.8291 1.903381
272.3112 1.997269
272.7933 1.952942
273.2755 2.156235
273.7576 2.701859
274.2397 2.868164
274.7218 2.506393
275.2039 1.751968
275.6860 0.8882750
276.1682 0.2115630
276.6503 0.9735410
277.1324 0.8647610
277.6145 0.1976620
278.0966 0.9332730
278.5787 1.174088
279.0609 1.106567
279.5430 1.120499
280.0251 1.216629
280.5072 1.354446
280.9893 1.586426
281.4715 1.906723
281.9536 1.955261
282.4357 1.681534
282.9178 1.202148
283.3999 0.5983430
283.8820 0.1482700
284.3642 0.6319120
284.8463 0.4190060
285.3284 0.3951720
285.8105 0.6512760
286.2926 0.3214870
286.7747 0.4696500
287.2569 1.980286
287.7390 4.150970
288.2211 5.465622
288.7032 4.704987
289.1853 2.488663
289.6674 1.755859
290.1496 2.668518
290.6317 3.973801
291.1138 4.288849
291.5959 3.724716
292.0780 3.031586
292.5602 2.362259
293.0423 1.767075
293.5244 1.379349
294.0065 1.205734
294.4886 1.176636
294.9707 1.409286
295.4529 1.775711
295.9350 1.768723
296.4171 1.059479
296.8992 9.4315000E-02
297.3813 0.2708740
297.8634 8.0077998E-02
298.3456 0.1645810
298.8277 9.0240002E-02
299.3098 0.5660550
299.7919 0.5664980
300.2740 0.2619780
300.7561 1.245209
301.2383 1.375732
301.7204 0.8187100
302.2025 0.3107760
302.6846 0.4398190
303.1667 0.8748780
303.6488 1.098892
304.1310 0.9822390
304.6131 0.8014680
305.0952 0.7316590
305.5773 0.8017120
306.0594 1.089569
306.5415 1.935684
307.0237 2.872360
307.5058 3.376938
307.9879 3.356384
308.4700 3.179855
308.9521 3.008575
309.4343 2.885864
309.9164 2.883270
310.3985 3.249588
310.8806 3.598846
311.3627 3.567719
311.8448 3.136139
312.3270 2.726639
312.8091 2.549072
313.2912 2.549149
313.7733 2.662247
314.2554 2.964767
314.7375 3.289764
315.2197 3.450302
315.7018 3.492752
316.1839 3.788788
316.6660 4.838150
317.1481 6.044037
317.6302 6.930618
318.1124 7.693954
318.5945 7.752975
319.0766 6.192093
319.5587 3.597977
320.0408 1.978851
320.5229 2.569946
321.0051 3.882355
321.4872 5.168640
321.9693 6.517044
322.4514 7.421005
322.9335 7.573654
323.4156 7.228806
323.8978 6.875458
324.3799 6.023315
324.8620 5.675262
325.3441 6.334122
325.8262 8.425690
326.3083 10.26675
326.7905 11.70314
327.2726 12.83646
327.7547 13.77328
328.2368 14.34715
328.7189 14.89543
329.2010 15.30624
329.6832 15.54842
330.1653 16.32140
330.6474 18.09755
331.1295 20.06248
331.6116 21.58617
332.0938 22.67574
332.5759 23.38107
333.0580 23.44908
333.5401 23.05055
334.0222 23.43900
334.5043 24.88023
334.9865 26.59752
335.4686 28.10965
335.9507 29.30653
336.4328 30.58589
336.9149 31.94693
337.3970 33.46013
337.8792 35.36012
338.3613 37.90912
338.8434 40.17627
339.3255 41.49582
339.8076 41.63593
340.2898 43.01875
340.7719 46.06009
341.2540 49.70157
341.7361 52.47139
342.2182 54.23793
342.7003 55.62254
343.1825 56.58582
343.6646 57.28517
344.1467 58.71202
344.6288 61.06241
345.1109 63.34705
345.5930 64.65746
346.0752 64.99771
346.5573 64.71736
347.0394 63.80299
347.5215 62.38654
348.0036 60.46399
348.4857 58.06233
348.9679 56.04036
349.4500 55.63739
349.9321 56.14030
350.4142 55.38783
350.8963 52.82823
351.3784 49.50278
351.8606 46.35143
352.3427 43.52245
352.8248 41.46983
353.3069 40.85397
353.7890 41.04851
354.2711 41.28368
354.7533 41.45891
355.2354 41.30713
355.7175 40.92697
356.1996 40.14726
356.6817 38.56812
357.1638 35.32687
357.6460 31.64024
358.1281 28.42064
358.6102 25.68448
359.0923 23.15251
359.5744 20.47327
360.0565 17.93625
360.5387 15.88539
361.0208 14.51619
361.5029 13.56248
361.9850 12.98026
362.4671 12.72588
362.9492 12.68762
363.4314 13.00705
363.9135 13.41681
364.3956 13.77983
364.8777 14.05258
365.3598 14.30850
365.8419 14.32150
366.3241 14.37450
366.8062 14.89523
367.2883 16.38391
367.7704 17.92982
368.2526 19.27185
368.7347 20.33034
369.2168 21.49696
369.6989 23.06000
370.1810 24.57729
370.6631 25.67783
371.1453 25.90369
371.6274 26.39598
372.1095 27.26521
372.5916 28.51135
373.0737 30.12706
373.5558 32.35027
374.0380 34.60948
374.5201 36.57320
375.0022 38.05142
375.4843 39.77863
375.9664 41.78165
376.4485 44.04010
376.9307 46.55305
377.4128 49.26553
377.8949 52.32718
378.3770 56.08554
378.8591 60.45303
379.3412 63.88771
379.8234 66.27740
380.3055 68.00461
380.7876 69.47758
381.2697 70.69307
381.7518 71.37123
382.2339 71.56851
382.7161 71.09445
383.1982 69.41431
383.6803 66.55725
384.1624 62.90300
384.6445 58.60103
385.1266 53.74432
385.6088 48.40662
386.0909 42.43246
386.5730 36.55461
387.0551 31.48416
387.5372 27.25412
388.0193 23.87997
388.5015 21.76697
388.9836 20.34688
389.4657 19.10219
389.9478 18.00795
390.4299 16.95885
390.9120 15.87965
391.3942 14.80042
391.8763 13.76733
392.3584 12.37373
392.8405 11.43272
393.3226 11.61635
393.8047 12.70726
394.2869 13.70865
394.7690 14.80373
395.2511 15.30136
395.7332 14.61987
396.2154 11.89594
396.6975 9.624344
397.1796 8.489609
397.6617 8.094650
398.1438 7.756775
398.6259 7.137100
399.1081 6.797806
399.5902 7.066162
400.0723 8.100876
400.5544 8.612411
401.0365 8.213364
401.5186 7.573151
402.0008 7.241486
402.4829 7.366241
402.9650 7.529633
403.4471 7.817993
403.9292 8.107941
404.4113 7.844589
404.8935 6.884552
405.3756 5.705887
405.8577 4.492050
406.3398 3.227325
406.8219 2.114914
407.3040 1.136810
407.7862 0.3554840
408.2683 5.7480000E-02
408.7504 8.5814998E-02
409.2325 0.1930080
409.7146 0.5539860
410.1967 1.101852
410.6789 1.752563
411.1610 2.518707
411.6431 3.021194
412.1252 2.673721
412.6073 1.781097
413.0894 1.280624
413.5716 1.514587
414.0537 1.871094
414.5358 1.412521
415.0179 0.4066470
415.5000 0.2944640
415.9821 0.1721500
416.4643 0.9786530
416.9464 1.244934
417.4285 0.8826450
417.9106 0.3798070
418.3927 2.1698000E-02
418.8748 0.3569030
419.3570 0.6589360
419.8391 1.101425
420.3212 1.360779
420.8033 1.174759
421.2854 0.6461180
421.7675 0.2536160
422.2497 0.2023160
422.7318 0.2862400
423.2139 0.4371800
423.6960 0.7962650
424.1781 0.9039760
424.6602 0.4338990
425.1424 0.2383730
425.6245 0.5652160
426.1066 0.4513400
426.5887 0.1021120
427.0709 0.5303340
427.5530 1.444641
428.0351 2.160904
428.5172 2.624985
428.9993 2.972183
429.4814 3.365860
429.9636 3.940948
430.4457 3.933029
430.9278 2.986877
431.4099 1.712418
431.8920 1.542908
432.3741 2.598999
432.8563 3.829620
433.3384 5.002792
433.8205 6.025528
434.3026 6.007690
434.7847 4.830643
435.2668 3.573990
435.7490 3.443924
436.2311 4.177551
436.7132 4.818146
437.1953 5.008072
437.6774 5.143234
438.1595 5.783615
438.6417 6.855667
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440.0880 10.65923
440.5701 11.58614
441.0522 12.09004
441.5344 12.63585
442.0165 13.48643
442.4986 14.55785
442.9807 15.74370
443.4628 17.11200
443.9449 18.48627
444.4271 19.63429
444.9092 20.65468
445.3913 22.12236
445.8734 24.24876
446.3555 26.76387
446.8376 29.53879
447.3198 32.58652
447.8019 35.85898
448.2840 39.20406
448.7661 42.79901
449.2482 46.88687
449.7303 51.47104
450.2125 56.51465
450.6946 62.29564
451.1767 68.73857
451.6588 74.15860
452.1409 78.11717
452.6230 82.17282
453.1052 87.47308
453.5873 94.15837
454.0694 100.6960
454.5515 106.6867
455.0337 113.0326
455.5158 121.3099
455.9979 131.4843
456.4800 141.9461
456.9621 151.7024
457.4442 161.4594
457.9264 172.9122
458.4085 185.9902
458.8906 200.4523
459.3727 216.0945
459.8548 232.8987
460.3369 250.6392
460.8191 269.7890
461.3012 289.1389
461.7833 308.1104
462.2654 326.6098
462.7475 344.3603
463.2296 363.3062
463.7118 380.0122
464.1939 393.3738
464.6760 403.4586
465.1581 407.8886
465.6402 405.3592
466.1223 397.2137
466.6045 384.3668
467.0866 364.6658
467.5687 343.0959
468.0508 318.5205
468.5329 292.2627
469.0150 266.7199
469.4972 241.0896
469.9793 217.9354
470.4614 198.3966
470.9435 182.5517
471.4256 168.7212
471.9077 156.9636
472.3899 147.0387
472.8720 139.1262
473.3541 133.3075
473.8362 127.7327
474.3183 121.7794
474.8004 116.1481
475.2826 112.5317
475.7647 110.9281
476.2468 110.3639
476.7289 110.5841
477.2110 111.4334
477.6931 112.5125
478.1753 113.8190
478.6574 115.6555
479.1395 118.1535
479.6216 121.2553
480.1037 125.0374
480.5858 129.7736
481.0680 134.7316
481.5501 139.5489
482.0322 144.2283
482.5143 148.7295
482.9964 153.1663
483.4786 157.2988
483.9607 161.4658
484.4428 165.7676
484.9249 168.2167
485.4070 168.7887
485.8892 167.1326
486.3713 162.9054
486.8534 156.0909
487.3355 146.8527
487.8176 134.1441
488.2997 119.3876
488.7819 105.0133
489.2640 90.23149
489.7461 77.52817
490.2282 67.90546
490.7103 61.17534
491.1924 55.75783
491.6746 51.82156
492.1567 48.34674
492.6388 44.06143
493.1209 39.17612
493.6030 36.09973
494.0851 35.26941
494.5673 35.85522
495.0494 37.19878
495.5315 39.07722
496.0136 40.63660
496.4957 41.21286
496.9778 41.43317
497.4600 42.09753
497.9421 43.15073
498.4242 44.03212
498.9063 43.87994
499.3884 43.71509
499.8705 44.45694
500.3527 46.47028
500.8348 48.92537
501.3169 51.34866
501.7990 54.04355
502.2811 57.47026
502.7632 62.31294
503.2454 67.20531
503.7275 71.81845
504.2096 76.18463
504.6917 80.97253
505.1738 86.47391
505.6559 91.92722
506.1381 96.71147
506.6202 100.4147
507.1023 105.3315
507.5844 111.9165
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