#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:11 +0300 (Thu, 24 May 2018) $
#$Revision: 900 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000378.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_1000378
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 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            R060430.rod
_rod_data_source.block           3500000
_rod_database.code               1000378
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
127.2463 0.0000000E+00
127.7284 0.6994020
128.2105 0.9141350
128.6927 1.250187
129.1748 1.210056
129.6569 1.415474
130.1390 2.712616
130.6211 2.769455
131.1032 2.514568
131.5854 1.396683
132.0675 0.1842960
132.5496 0.4559750
133.0317 0.1912960
133.5138 0.6570780
133.9959 1.315254
134.4781 1.571529
134.9602 1.991009
135.4423 2.684666
135.9244 3.612877
136.4065 4.705746
136.8886 5.908421
137.3708 7.240849
137.8529 8.895367
138.3350 10.87496
138.8171 13.20971
139.2992 15.70410
139.7813 18.56844
140.2635 22.24628
140.7456 27.19316
141.2277 33.61794
141.7098 39.67065
142.1919 45.88195
142.6740 51.35347
143.1561 55.74804
143.6383 58.97419
144.1204 60.89035
144.6025 61.04089
145.0846 59.04413
145.5667 57.76987
146.0488 57.36549
146.5310 57.71684
147.0131 58.80738
147.4952 60.69586
147.9773 63.02755
148.4594 65.34512
148.9415 67.66698
149.4237 70.64563
149.9058 74.77441
150.3879 79.71887
150.8700 84.63021
151.3521 89.61741
151.8342 94.65222
152.3164 99.11432
152.7985 103.0443
153.2806 107.5338
153.7627 113.0964
154.2448 119.6166
154.7269 126.5228
155.2091 133.5955
155.6912 141.3714
156.1733 149.8253
156.6554 159.3314
157.1375 170.3722
157.6196 183.1517
158.1018 197.1296
158.5839 214.6970
159.0660 237.2607
159.5481 262.0868
160.0302 291.1486
160.5123 323.5240
160.9945 352.2691
161.4766 365.3204
161.9587 360.0864
162.4408 339.5373
162.9229 294.3820
163.4050 239.9047
163.8871 188.2637
164.3693 143.9926
164.8514 107.1045
165.3335 78.20047
165.8156 60.49863
166.2977 46.41547
166.7798 36.17787
167.2620 28.88520
167.7441 23.50956
168.2262 19.81300
168.7083 17.31395
169.1904 14.73203
169.6725 11.92400
170.1547 9.292728
170.6368 6.824837
171.1189 4.621262
171.6010 3.073177
172.0831 2.512554
172.5652 2.659676
173.0474 2.837643
173.5295 3.197781
174.0116 3.306469
174.4937 2.623798
174.9758 1.150955
175.4579 9.6035004E-02
175.9401 0.6167030
176.4222 0.6880300
176.9043 0.5271990
177.3864 7.9677999E-02
177.8685 0.3714100
178.3506 0.4057580
178.8328 0.1155550
179.3149 0.5582580
179.7970 0.6703830
180.2791 0.6269530
180.7612 0.5306170
181.2433 0.3989680
181.7255 0.3059390
182.2076 0.4693340
182.6897 1.202454
183.1718 1.597294
183.6539 1.367302
184.1360 0.8122790
184.6181 0.1770130
185.1003 0.5085680
185.5824 1.109230
186.0645 1.402336
186.5466 0.9455490
187.0287 0.7142750
187.5108 0.8450130
187.9930 1.261509
188.4751 1.950527
188.9572 2.920662
189.4393 4.058144
189.9214 4.710876
190.4035 4.496563
190.8857 4.233940
191.3678 3.882153
191.8499 3.575890
192.3320 3.588974
192.8141 4.128204
193.2962 5.102203
193.7784 5.791672
194.2605 6.011799
194.7426 6.219391
195.2247 6.599506
195.7068 7.099125
196.1889 7.536594
196.6711 7.762611
197.1532 7.855667
197.6353 8.197704
198.1174 9.137375
198.5995 9.984409
199.0816 10.23989
199.5638 9.990173
200.0459 9.813076
200.5280 10.04425
201.0101 10.61659
201.4922 11.22326
201.9743 11.81498
202.4565 12.48177
202.9386 13.37047
203.4207 14.49161
203.9028 15.52539
204.3849 16.21005
204.8670 16.72489
205.3492 17.29404
205.8313 17.88980
206.3134 18.64249
206.7955 19.66636
207.2776 20.93574
207.7597 22.60279
208.2419 25.09439
208.7240 27.89378
209.2061 30.35994
209.6882 32.05000
210.1703 33.81044
210.6524 37.11111
211.1346 42.16548
211.6167 48.25679
212.0988 55.00216
212.5809 62.56345
213.0630 71.35836
213.5451 81.59843
214.0273 92.76674
214.5094 103.8361
214.9915 115.5187
215.4736 125.6391
215.9557 134.0278
216.4378 140.9029
216.9200 146.3127
217.4021 150.2073
217.8842 153.0761
218.3663 156.1768
218.8484 159.1782
219.3305 162.9967
219.8127 167.6598
220.2948 173.1434
220.7769 179.5028
221.2590 186.7629
221.7411 194.7614
222.2232 203.0159
222.7054 211.1726
223.1875 220.1209
223.6696 230.3000
224.1517 241.1492
224.6338 251.8078
225.1159 261.9285
225.5980 272.0246
226.0802 283.6411
226.5623 296.7276
227.0444 311.4787
227.5265 327.9994
228.0086 346.1893
228.4907 365.6466
228.9729 386.1591
229.4550 408.0210
229.9371 431.9657
230.4192 458.8723
230.9013 486.3459
231.3834 516.8554
231.8656 547.0276
232.3477 573.8790
232.8298 597.3066
233.3119 612.7270
233.7940 607.7262
234.2761 580.7878
234.7583 544.1985
235.2404 495.0724
235.7225 439.1548
236.2046 385.2309
236.6867 335.0695
237.1688 289.8455
237.6510 251.7932
238.1331 220.6912
238.6152 193.7541
239.0973 170.9981
239.5794 151.7010
240.0615 134.5818
240.5437 119.3286
241.0258 105.9038
241.5079 94.23158
241.9900 84.10194
242.4721 75.42225
242.9542 68.57635
243.4364 63.18951
243.9185 58.29842
244.4006 53.69366
244.8827 49.59340
245.3648 46.18134
245.8469 43.40334
246.3290 41.10751
246.8112 39.34326
247.2933 38.02251
247.7754 36.89322
248.2575 36.09525
248.7396 35.19176
249.2217 33.55818
249.7039 31.46402
250.1860 29.88156
250.6681 29.68065
251.1502 30.47297
251.6323 30.79777
252.1144 30.46415
252.5966 29.83932
253.0787 28.94566
253.5608 27.95569
254.0429 27.26639
254.5250 27.28344
255.0071 27.78900
255.4893 27.94549
255.9714 27.70714
256.4535 27.14395
256.9356 26.35227
257.4177 25.31846
257.8998 23.98224
258.3820 22.22609
258.8641 20.18841
259.3462 18.36083
259.8283 16.83156
260.3104 15.38695
260.7925 13.90312
261.2747 12.44558
261.7568 11.08724
262.2389 9.838032
262.7210 8.741076
263.2031 7.937212
263.6852 7.628403
264.1674 7.278936
264.6495 6.709471
265.1316 6.062464
265.6137 5.480995
266.0958 5.025185
266.5779 4.680447
267.0601 4.421394
267.5422 4.280582
268.0243 4.178226
268.5064 4.200222
268.9885 4.198717
269.4706 4.043365
269.9528 3.688597
270.4349 3.182026
270.9170 2.559160
271.3991 1.554482
271.8812 0.9976390
272.3633 1.229462
272.8455 1.666790
273.3276 1.828648
273.8097 1.615801
274.2918 1.310955
274.7739 1.378250
275.2560 2.119366
275.7382 2.589132
276.2202 2.812546
276.7024 2.812660
277.1845 2.524830
277.6666 1.984005
278.1487 1.361868
278.6308 0.8566740
279.1129 0.4814170
279.5951 0.1927950
280.0772 4.1074999E-02
280.5593 0.1822870
281.0414 0.1964320
281.5235 9.3082003E-02
282.0056 9.8435998E-02
282.4878 0.3743610
282.9699 0.7770860
283.4520 0.9504220
283.9341 0.7690730
284.4162 0.5190640
284.8983 0.2573640
285.3805 1.8141000E-02
285.8626 0.1452160
286.3447 0.1794610
286.8268 8.7811001E-02
287.3089 9.0190999E-02
287.7910 0.2546500
288.2732 0.4309010
288.7553 0.6273350
289.2374 0.8015160
289.7195 0.9031960
290.2016 0.9121090
290.6837 0.8057710
291.1659 0.4350720
291.6480 0.9002020
292.1301 1.679079
292.6122 1.199587
293.0943 0.1257080
293.5764 0.5832880
294.0586 0.4825360
294.5407 0.1254730
295.0228 0.4222160
295.5049 0.1536060
295.9870 0.1368770
296.4691 0.4840580
296.9513 0.8216110
297.4334 1.117125
297.9155 1.352985
298.3976 1.451830
298.8797 1.257988
299.3618 0.4250980
299.8440 3.5496000E-02
300.3261 0.2737660
300.8082 0.7017480
301.2903 0.6581520
301.7724 6.1234999E-02
302.2545 0.6810400
302.7367 1.094616
303.2188 1.081419
303.7009 1.062681
304.1830 1.078560
304.6651 1.057781
305.1472 0.9146180
305.6294 0.6726630
306.1115 0.4407940
306.5936 0.2884450
307.0757 0.2106800
307.5578 0.4324020
308.0399 1.232677
308.5221 1.999918
309.0042 2.452612
309.4863 2.650892
309.9684 2.809881
310.4505 3.088995
310.9326 3.428980
311.4148 3.385473
311.8969 2.390894
312.3790 1.725777
312.8611 1.824650
313.3432 2.429892
313.8253 3.157524
314.3075 3.842934
314.7896 4.479649
315.2717 5.052292
315.7538 5.562292
316.2359 6.006630
316.7180 6.398880
317.2001 6.719040
317.6823 6.921173
318.1644 6.996460
318.6465 7.007309
319.1286 7.010838
319.6107 6.817839
320.0928 7.166046
320.5750 8.385715
321.0571 9.900702
321.5392 11.33168
322.0213 12.60652
322.5034 13.81227
322.9855 15.02423
323.4677 16.25947
323.9498 17.42263
324.4319 18.29531
324.9140 19.30822
325.3961 20.68479
325.8782 22.39156
326.3604 24.35147
326.8425 26.57766
327.3246 29.00012
327.8067 30.84186
328.2888 31.64790
328.7709 32.48246
329.2531 33.52796
329.7352 34.78884
330.2173 36.28460
330.6994 38.03317
331.1815 39.94107
331.6636 41.77253
332.1458 43.55819
332.6279 45.21684
333.1100 46.50803
333.5921 47.78077
334.0742 49.42436
334.5563 51.52488
335.0385 53.86366
335.5206 56.10059
336.0027 58.14804
336.4848 60.34129
336.9669 62.72364
337.4490 65.21881
337.9312 67.84037
338.4133 70.55509
338.8954 73.23373
339.3775 75.75653
339.8596 78.12217
340.3417 80.42914
340.8239 82.97463
341.3060 85.16621
341.7881 86.64649
342.2702 87.61688
342.7523 88.55193
343.2344 89.77728
343.7166 91.09541
344.1987 91.55627
344.6808 91.12045
345.1629 89.73731
345.6450 86.85509
346.1271 83.22780
346.6093 79.69469
347.0914 76.58372
347.5735 73.54708
348.0556 69.94285
348.5377 65.19233
349.0198 60.93036
349.5020 57.25425
349.9841 53.90210
350.4662 50.81420
350.9483 47.94418
351.4304 45.13485
351.9125 42.20225
352.3947 38.99796
352.8768 36.85068
353.3589 36.72734
353.8410 36.67743
354.3231 35.96706
354.8052 34.78927
355.2874 33.69395
355.7695 33.07929
356.2516 32.83348
356.7337 32.24329
357.2158 30.49226
357.6979 29.63067
358.1800 30.37985
358.6621 31.93577
359.1443 33.48008
359.6264 34.71985
360.1085 35.84231
360.5906 37.17202
361.0727 38.56553
361.5548 40.61040
362.0370 43.90777
362.5191 47.38129
363.0012 50.42162
363.4833 52.98274
363.9654 55.29130
364.4475 57.54569
364.9297 59.74257
365.4118 61.88057
365.8939 63.99476
366.3760 66.02991
366.8581 67.84692
367.3402 69.54897
367.8224 71.35767
368.3045 73.39095
368.7866 75.61933
369.2687 77.93411
369.7508 80.22965
370.2329 82.85519
370.7151 86.12650
371.1972 89.68211
371.6793 93.19941
372.1614 96.54094
372.6435 99.91050
373.1256 103.5228
373.6078 107.3759
374.0899 111.3773
374.5720 115.4490
375.0541 119.7624
375.5362 124.4325
376.0183 129.4695
376.5005 134.7329
376.9826 140.4375
377.4647 146.3668
377.9468 151.8240
378.4289 156.8382
378.9110 161.1627
379.3932 165.2342
379.8753 168.5261
380.3574 169.7563
380.8395 168.4234
381.3216 164.9496
381.8037 159.7208
382.2859 152.7249
382.7680 144.2213
383.2501 133.6059
383.7322 121.9303
384.2143 110.7264
384.6964 100.0053
385.1786 90.02974
385.6607 81.04161
386.1428 73.00739
386.6249 65.79021
387.1070 59.40623
387.5891 53.79189
388.0713 49.05721
388.5534 45.12106
389.0355 41.46381
389.5176 37.98557
389.9997 34.73636
390.4818 31.75110
390.9640 29.02479
391.4461 26.60674
391.9282 24.53240
392.4103 22.81401
392.8924 21.38048
393.3745 20.25053
393.8567 19.35207
394.3388 18.97160
394.8209 18.77029
395.3030 17.99482
395.7851 16.30484
396.2672 14.24468
396.7494 12.76239
397.2315 12.10738
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398.1957 10.82150
398.6778 10.19868
399.1599 9.767693
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400.1241 9.083660
400.6063 8.234018
401.0884 6.915443
401.5705 6.040512
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403.0168 5.771252
403.4990 5.771873
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404.9453 4.244841
405.4274 3.773062
405.9095 3.762815
406.3917 3.685911
406.8738 3.562092
407.3559 3.349268
407.8380 2.969645
408.3201 2.444740
408.8022 1.901577
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409.7665 1.038187
410.2486 0.8602700
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415.0698 1.927364
415.5519 1.470806
416.0340 0.8425540
416.5161 0.5467510
416.9982 0.6300330
417.4803 0.7429700
417.9625 0.5397450
418.4446 7.9832003E-02
418.9267 0.2154520
419.4088 0.2389050
419.8909 0.2357860
420.3730 0.4250950
420.8552 0.7011910
421.3373 0.8314690
421.8194 0.6401160
422.3015 0.3715440
422.7836 0.3570120
423.2657 0.5926880
423.7479 0.7612510
424.2300 0.7002430
424.7121 0.5364840
425.1942 0.4869060
425.6763 0.5805420
426.1584 0.6368750
426.6406 0.5097750
427.1227 0.3144040
427.6048 0.2750430
428.0869 0.4387320
428.5690 0.6217270
429.0511 0.6677150
429.5333 0.5667150
430.0154 0.4137080
430.4975 0.1740250
430.9796 8.5377000E-02
431.4617 0.3854980
431.9438 0.6771600
432.4260 0.8484840
432.9081 0.8472400
433.3902 0.6874330
433.8723 0.3831230
434.3544 0.3379230
434.8365 0.7399730
435.3187 0.6053560
435.8008 0.2722530
436.2829 2.1360000E-03
436.7650 0.1696470
437.2471 0.3448540
437.7292 0.6256660
438.2114 1.017721
438.6935 1.338655
439.1756 1.531963
439.6577 1.716705
440.1398 1.920832
440.6219 2.131395
441.1040 2.302177
441.5862 2.413713
442.0683 2.548462
442.5504 2.913965
443.0325 3.686354
443.5146 4.149227
443.9967 3.727003
444.4789 3.411980
444.9610 3.891163
445.4431 5.001274
445.9252 6.011471
446.4073 6.306433
446.8894 6.094097
447.3716 6.179096
447.8537 6.635900
448.3358 7.205853
448.8179 7.784636
449.3000 8.414850
449.7821 9.233774
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