#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:33:34 +0300 (Thu, 24 May 2018) $
#$Revision: 891 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000369.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_1000369
loop_
_publ_author_name
'Fang, J. H.'
'Robinson, P. D.'
_publ_section_title
;
 Alunogen, Al2(H2O)12(SO4)3.5H2O: Its atomic arrangement and water content
;
_journal_name_full               'American Mineralogist'
_journal_page_first              311
_journal_page_last               317
_journal_volume                  61
_journal_year                    1976
_chemical_compound_source        R060015
_chemical_formula_sum            'Al2 H34 O29 S3'
_chemical_name_mineral           Alunogen
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.67
_cell_angle_beta                 97.34
_cell_angle_gamma                91.53
_cell_formula_units_Z            2
_cell_length_a                   7.420
_cell_length_b                   26.970
_cell_length_c                   6.062
_cell_volume                     1202.739
_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            R060015.rod
_rod_data_source.block           3500000
_rod_database.code               1000369
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 9000507 COD http://www.crystallography.net/cod/9000507.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
110.9020 0.0000000E+00
111.3842 6.2959999E-02
111.8663 4.3319999E-03
112.3484 4.6520000E-03
112.8305 3.2028001E-02
113.3126 8.3456002E-02
113.7947 0.1482350
114.2769 0.2227340
114.7590 0.3413430
115.2411 0.4358310
115.7232 0.4632530
116.2053 0.4353450
116.6874 0.4022350
117.1695 0.4141030
117.6517 0.4833620
118.1338 0.5539880
118.6159 0.6378750
119.0980 0.7158580
119.5801 0.7642750
120.0622 0.7763060
120.5444 0.7820130
121.0265 0.8266160
121.5086 0.9093040
121.9907 0.9948650
122.4728 1.090441
122.9549 1.182287
123.4371 1.229633
123.9192 1.199379
124.4013 1.147484
124.8834 1.133566
125.3655 1.157753
125.8476 1.205481
126.3298 1.273794
126.8119 1.364792
127.2940 1.447351
127.7761 1.536156
128.2582 1.598898
128.7404 1.596628
129.2225 1.518557
129.7046 1.418865
130.1867 1.401531
130.6688 1.552328
131.1509 1.621452
131.6331 1.519211
132.1152 1.358023
132.5973 1.242393
133.0794 1.223667
133.5615 1.278820
134.0436 1.316107
134.5258 1.309622
135.0079 1.309540
135.4900 1.314436
135.9721 1.331953
136.4542 1.382446
136.9363 1.481520
137.4184 1.626505
137.9006 1.690001
138.3827 1.641785
138.8648 1.559038
139.3469 1.472797
139.8290 1.385859
140.3111 1.287827
140.7933 1.165106
141.2754 1.021973
141.7575 0.9072900
142.2396 0.8202360
142.7217 0.7653220
143.2038 0.7763840
143.6860 0.8702750
144.1681 0.9484230
144.6502 0.8959560
145.1323 0.7616040
145.6144 0.6492230
146.0965 0.6206930
146.5787 0.6452050
147.0608 0.6386570
147.5429 0.5820960
148.0250 0.5104450
148.5071 0.4464780
148.9892 0.3738960
149.4714 0.3280770
149.9535 0.3750610
150.4356 0.5249670
150.9177 0.6146850
151.3998 0.5926230
151.8819 0.5731910
152.3641 0.6034430
152.8462 0.6434080
153.3283 0.6746080
153.8104 0.6677230
154.2925 0.5612450
154.7746 0.4913850
155.2568 0.4833600
155.7389 0.4867780
156.2210 0.4681470
156.7031 0.4040810
157.1852 0.3380360
157.6673 0.3312850
158.1495 0.4401040
158.6316 0.5135080
159.1137 0.5482940
159.5958 0.5537190
160.0779 0.5192930
160.5600 0.4419190
161.0422 0.3578930
161.5243 0.1800370
162.0064 0.3820650
162.4885 0.4922180
162.9706 0.5154590
163.4527 0.1899470
163.9349 0.3159120
164.4170 0.2617190
164.8991 0.2011110
165.3812 0.3920840
165.8633 0.1198940
166.3454 0.3081550
166.8276 0.3143710
167.3097 0.4053080
167.7918 0.3142800
168.2739 0.2795010
168.7560 0.4320140
169.2381 0.4836030
169.7203 0.3770710
170.2024 0.4801370
170.6845 0.2120440
171.1666 0.2708440
171.6487 0.4710600
172.1308 0.3777120
172.6130 0.4872890
173.0951 0.5204540
173.5772 0.2040820
174.0593 0.4972400
174.5414 0.5278570
175.0235 0.2888260
175.5057 0.5631030
175.9878 0.4601880
176.4699 0.5830840
176.9520 0.6542210
177.4341 0.6266820
177.9162 0.5335350
178.3984 0.4790970
178.8805 0.5304200
179.3626 0.5337330
179.8447 0.4215430
180.3268 0.2658620
180.8089 0.1591990
181.2911 0.1563070
181.7732 0.2350880
182.2553 0.2695690
182.7374 0.2067700
183.2195 0.1585160
183.7016 0.1711810
184.1838 0.2121200
184.6659 0.2141780
185.1480 0.1286220
185.6301 3.0245000E-02
186.1122 0.1121710
186.5943 6.2792003E-02
187.0765 1.1087000E-02
187.5586 4.4269999E-03
188.0407 3.6830999E-02
188.5228 8.6597003E-02
189.0049 0.1495530
189.4870 0.2156030
189.9692 0.2371710
190.4513 0.1756690
190.9334 0.1046940
191.4155 7.0251003E-02
191.8976 7.1980000E-02
192.3797 8.8506997E-02
192.8619 0.1220840
193.3440 0.1557160
193.8261 0.1439590
194.3082 2.5142999E-02
194.7903 0.1031970
195.2724 0.1224860
195.7546 1.7069001E-02
196.2367 9.1957003E-02
196.7188 0.1257250
197.2009 0.1149330
197.6830 9.3496002E-02
198.1651 6.8884000E-02
198.6473 4.0808000E-02
199.1294 3.0169999E-03
199.6115 5.6669001E-02
200.0936 9.4232999E-02
200.5757 5.1514000E-02
201.0578 1.5226000E-02
201.5400 2.7519001E-02
202.0221 7.1791001E-02
202.5042 0.2357790
202.9863 0.3245140
203.4684 0.2964500
203.9505 0.2544670
204.4327 0.2112460
204.9148 0.1812710
205.3969 0.1911830
205.8790 0.2668250
206.3611 0.3855190
206.8432 0.4296950
207.3254 0.2871780
207.8075 0.2032430
208.2896 0.2669300
208.7717 0.4153750
209.2538 0.5598700
209.7359 0.6458260
210.2181 0.6766780
210.7002 0.6811290
211.1823 0.6162450
211.6644 0.5684390
212.1465 0.5637650
212.6286 0.5874610
213.1108 0.6132070
213.5929 0.6238480
214.0750 0.6202740
214.5571 0.6162700
215.0392 0.5971620
215.5213 0.5923940
216.0035 0.6352730
216.4856 0.7004830
216.9677 0.7294370
217.4498 0.6765900
217.9319 0.5517880
218.4140 0.4868340
218.8961 0.5147040
219.3783 0.5533960
219.8604 0.5867770
220.3425 0.6085300
220.8246 0.6052320
221.3067 0.5617030
221.7888 0.4863550
222.2710 0.4308090
222.7531 0.3907870
223.2352 0.3721450
223.7173 0.3853950
224.1994 0.4265290
224.6815 0.4666210
225.1637 0.4906270
225.6458 0.4987070
226.1279 0.5013600
226.6100 0.4912430
227.0921 0.4837880
227.5742 0.4927850
228.0564 0.5170020
228.5385 0.5383110
229.0206 0.5476530
229.5027 0.5496270
229.9848 0.5551760
230.4669 0.5738160
230.9491 0.5849880
231.4312 0.5563090
231.9133 0.4892060
232.3954 0.4482670
232.8775 0.4803710
233.3596 0.5509760
233.8418 0.6170290
234.3239 0.6806720
234.8060 0.7233750
235.2881 0.7095090
235.7702 0.6304190
236.2523 0.5766740
236.7345 0.6087860
237.2166 0.6707670
237.6987 0.7212160
238.1808 0.7544210
238.6629 0.7615550
239.1451 0.7178040
239.6272 0.6091400
240.1093 0.5268120
240.5914 0.5045600
241.0735 0.5161820
241.5556 0.5585370
242.0378 0.6318020
242.5199 0.7055970
243.0020 0.7371100
243.4841 0.7112810
243.9662 0.6789420
244.4483 0.6586060
244.9305 0.6424980
245.4126 0.6172070
245.8947 0.5793760
246.3768 0.5442280
246.8589 0.5470920
247.3410 0.6225830
247.8232 0.6269000
248.3053 0.4536510
248.7874 0.2854190
249.2695 0.2589720
249.7516 0.3833050
250.2337 0.5369830
250.7159 0.5413530
251.1980 0.3074570
251.6801 0.1706120
252.1622 0.2049100
252.6443 0.2806930
253.1264 0.3288330
253.6086 0.3367540
254.0907 0.3233390
254.5728 0.3238790
255.0549 0.3510320
255.5370 0.3650630
256.0191 0.3762760
256.5013 0.3699000
256.9834 0.3091320
257.4655 0.2087940
257.9476 0.1375890
258.4297 0.1814980
258.9118 0.3852940
259.3940 0.5114170
259.8761 0.5389230
260.3582 0.5306320
260.8403 0.5112550
261.3224 0.4851990
261.8045 0.4452270
262.2867 0.3770770
262.7688 0.2661000
263.2509 0.2369380
263.7330 0.3562580
264.2151 0.4778520
264.6972 0.5394060
265.1794 0.5404010
265.6615 0.5047150
266.1436 0.4442730
266.6257 0.3558100
267.1078 0.3379590
267.5899 0.4549640
268.0721 0.5623890
268.5542 0.5887470
269.0363 0.5509530
269.5184 0.5083220
270.0005 0.5029200
270.4826 0.5312310
270.9648 0.5405640
271.4469 0.5194890
271.9290 0.4959350
272.4111 0.4739230
272.8932 0.4569930
273.3753 0.4529460
273.8575 0.4677260
274.3396 0.4979130
274.8217 0.5261800
275.3038 0.5449560
275.7859 0.5703070
276.2680 0.6175560
276.7502 0.6748520
277.2323 0.7142390
277.7144 0.7192480
278.1965 0.7041570
278.6786 0.7127440
279.1607 0.7535510
279.6429 0.7957420
280.1250 0.8283040
280.6071 0.8572920
281.0892 0.8993550
281.5713 0.9656750
282.0534 1.032841
282.5356 1.041224
283.0177 0.9646950
283.4998 0.9280510
283.9819 1.000051
284.4640 1.120996
284.9461 1.197037
285.4283 1.200146
285.9104 1.169434
286.3925 1.156631
286.8746 1.162577
287.3567 1.168621
287.8388 1.162788
288.3210 1.157959
288.8031 1.170427
289.2852 1.203197
289.7673 1.253693
290.2494 1.336449
290.7315 1.448433
291.2137 1.516911
291.6958 1.498281
292.1779 1.448822
292.6600 1.416830
293.1421 1.406282
293.6242 1.437464
294.1064 1.563444
294.5885 1.755228
295.0706 1.858603
295.5527 1.780190
296.0348 1.662210
296.5169 1.636927
296.9991 1.703337
297.4812 1.764004
297.9633 1.743162
298.4454 1.677736
298.9275 1.677422
299.4096 1.796692
299.8918 1.922230
300.3739 1.967253
300.8560 1.942696
301.3381 1.921663
301.8202 1.940079
302.3023 1.977091
302.7845 1.986115
303.2666 1.950085
303.7487 1.925867
304.2308 1.964062
304.7129 2.047812
305.1950 2.115938
305.6772 2.153423
306.1593 2.161909
306.6414 2.136038
307.1235 2.070896
307.6056 2.020796
308.0877 2.019102
308.5699 2.041277
309.0520 2.037884
309.5341 1.998247
310.0162 1.949751
310.4983 1.914242
310.9804 1.887791
311.4626 1.871702
311.9447 1.896479
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313.3910 1.796370
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317.7301 1.626141
318.2122 1.609106
318.6943 1.582987
319.1764 1.568375
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323.9976 1.189671
324.4797 1.143148
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355.3351 5.9370000E-02
355.8173 4.7399998E-03
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358.7100 6.7098998E-02
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366.4238 1.9793000E-02
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372.6913 5.1741999E-02
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377.9946 6.9220997E-02
378.4767 7.5971000E-02
378.9589 8.2644999E-02
379.4410 6.2967002E-02
379.9231 9.9360002E-03
380.4052 4.5586001E-02
380.8873 4.7646999E-02
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381.8516 7.4670002E-02
382.3337 6.8130001E-02
382.8158 3.4848999E-02
383.2979 3.3202998E-02
383.7800 0.1235200
384.2621 0.1968150
384.7443 0.2182320
385.2264 0.1908610
385.7085 0.1495840
386.1906 6.7106999E-02
386.6727 1.2184000E-02
387.1548 2.0809000E-02
387.6370 6.8443999E-02
388.1191 0.1193120
388.6012 0.1594560
389.0833 0.1930780
389.5654 0.2244080
390.0475 0.2505650
390.5297 0.2878310
391.0118 0.3629880
391.4939 0.4382740
391.9760 0.4672720
392.4581 0.4424210
392.9402 0.2731110
393.4224 0.5221140
393.9045 0.6789310
394.3866 0.7485400
394.8687 0.4691250
395.3508 0.6408820
395.8329 0.6321170
396.3151 0.6161580
396.7972 0.8520150
397.2793 0.6244370
397.7614 0.8567300
398.2435 0.9057390
398.7256 1.038938
399.2078 0.9905160
399.6899 0.9984730
400.1720 1.188532
400.6541 1.278093
401.1362 1.209584
401.6183 1.349408
402.1005 1.117624
402.5826 1.212296
403.0647 1.447848
403.5468 1.389533
404.0289 1.533723
404.5110 1.600853
404.9932 1.318130
405.4753 1.644090
405.9574 1.706911
406.4395 1.499763
406.9216 1.805480
407.4037 1.635593
407.8859 1.635760
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409.8143 1.967699
410.2964 1.953366
410.7786 2.018327
411.2607 1.859995
411.7428 2.116308
412.2249 2.089335
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