#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 16:34:24 +0300 (Thu, 24 May 2018) $
#$Revision: 903 $
#$URL: svn://172.16.1.111/rod/cif/1/00/03/1000381.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_1000381
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        R070601
_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
_exptl_crystal_density_diffrn    1.790
_cod_original_cell_volume        1202.738
_cod_original_formula_sum        'S3 Al2 O29 H34'
_cod_database_code               9000507
_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            R070601.rod
_rod_data_source.block           3500000
_rod_database.code               1000381
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
140.4794 0.0000000E+00
140.9616 10.12109
141.4437 23.93164
141.9258 41.26465
142.4079 51.67383
142.8900 83.72754
143.3721 89.20703
143.8543 75.09668
144.3364 54.10938
144.8185 19.71973
145.3006 5.861328
145.7827 4.228516
146.2648 64.56348
146.7470 101.3408
147.2291 90.90527
147.7112 66.75977
148.1933 64.07031
148.6754 92.55176
149.1575 132.1074
149.6397 150.1338
150.1218 147.2529
150.6039 148.2656
151.0860 166.2979
151.5681 194.2041
152.0502 210.0430
152.5324 200.6318
153.0145 180.3359
153.4966 172.1855
153.9787 178.5361
154.4608 201.4902
154.9429 234.0010
155.4251 212.7559
155.9072 202.6572
156.3893 227.7363
156.8714 258.3223
157.3535 277.4629
157.8356 280.7949
158.3178 269.5166
158.7999 239.6665
159.2820 176.7402
159.7641 129.7612
160.2462 118.9434
160.7283 130.7480
161.2105 151.6855
161.6926 179.8677
162.1747 209.8735
162.6568 215.7456
163.1389 173.8271
163.6210 133.2109
164.1032 106.4282
164.5853 91.12207
165.0674 80.78467
165.5495 71.58008
166.0316 63.55420
166.5137 55.63965
166.9959 55.55811
167.4780 48.54980
167.9601 17.31201
168.4422 29.06299
168.9243 62.95654
169.4064 52.14600
169.8886 23.40186
170.3707 65.36816
170.8528 49.48584
171.3349 24.93555
171.8170 23.69287
172.2991 49.53076
172.7813 82.41895
173.2634 95.86230
173.7455 77.64209
174.2276 62.49561
174.7097 49.11279
175.1918 39.37061
175.6740 35.13086
176.1561 36.95361
176.6382 44.31104
177.1203 57.93945
177.6024 82.26953
178.0845 101.9248
178.5667 115.2407
179.0488 121.3467
179.5309 116.9014
180.0130 97.18848
180.4951 72.32373
180.9772 63.91943
181.4594 74.91992
181.9415 91.65967
182.4236 114.1304
182.9057 139.7065
183.3878 154.0059
183.8699 145.8447
184.3521 125.1499
184.8342 112.2422
185.3163 109.9009
185.7984 113.5000
186.2805 124.7563
186.7626 145.2534
187.2448 164.8599
187.7269 178.8579
188.2090 185.3706
188.6911 156.2837
189.1732 190.2861
189.6553 209.1772
190.1375 215.2529
190.6196 169.1909
191.1017 194.7407
191.5838 186.4282
192.0659 176.2710
192.5480 207.0132
193.0302 162.9258
193.5123 193.6782
193.9944 193.9712
194.4765 207.7666
194.9586 191.8730
195.4408 185.2578
195.9229 208.5308
196.4050 215.0908
196.8871 195.7593
197.3692 210.3945
197.8513 164.3311
198.3335 174.7119
198.8156 207.9258
199.2977 192.9575
199.7798 210.8301
200.2619 215.9771
200.7440 163.7266
201.2262 210.7422
201.7083 214.6885
202.1904 174.3306
202.6725 217.3706
203.1546 181.9448
203.6367 174.6621
204.1189 188.7368
204.6010 181.1602
205.0831 207.7612
205.5652 201.1636
206.0473 191.5234
206.5294 194.7974
207.0116 161.6362
207.4937 196.1045
207.9758 184.2852
208.4579 195.3877
208.9400 211.6528
209.4221 187.9980
209.9043 190.3374
210.3864 189.2534
210.8685 192.6025
211.3506 201.4170
211.8327 211.9272
212.3148 219.6274
212.7970 225.9985
213.2791 224.1816
213.7612 211.4746
214.2433 192.9927
214.7254 169.2769
215.2075 141.4097
215.6897 115.9653
216.1718 103.3872
216.6539 111.8223
217.1360 118.8623
217.6181 121.8579
218.1002 124.3184
218.5824 131.1987
219.0645 144.0884
219.5466 157.8701
220.0287 162.3140
220.5108 149.6099
220.9929 145.4580
221.4751 164.7661
221.9572 191.2354
222.4393 201.7300
222.9214 187.6812
223.4035 159.2393
223.8856 134.0020
224.3678 109.2871
224.8499 92.73877
225.3320 88.39014
225.8141 92.59668
226.2962 99.54834
226.7783 110.8662
227.2605 122.6416
227.7426 125.5518
228.2247 116.7812
228.7068 98.26221
229.1889 57.83789
229.6710 7.461426
230.1532 21.11914
230.6353 12.33105
231.1174 18.42676
231.5995 45.23193
232.0816 72.66357
232.5637 85.50049
233.0459 65.18799
233.5280 20.63037
234.0101 13.48389
234.4922 22.00146
234.9743 14.95020
235.4564 11.58789
235.9386 14.45117
236.4207 14.16406
236.9028 0.4228520
237.3849 26.25195
237.8670 42.82959
238.3491 41.14551
238.8313 26.61084
239.3134 7.002441
239.7955 21.00098
240.2776 43.80762
240.7597 50.88232
241.2418 42.80518
241.7240 26.52734
242.2061 0.8046880
242.6882 31.95947
243.1703 61.38330
243.6524 92.08105
244.1345 109.7959
244.6167 90.56543
245.0988 33.90869
245.5809 5.076172
246.0630 2.396484
246.5451 31.34033
247.0272 58.18652
247.5094 80.63330
247.9915 98.50195
248.4736 113.7939
248.9557 127.1562
249.4378 128.1372
249.9199 97.55469
250.4021 61.88086
250.8842 45.71289
251.3663 55.04346
251.8484 74.11377
252.3305 85.79102
252.8126 88.68457
253.2948 96.54102
253.7769 125.9897
254.2590 154.8867
254.7411 162.7256
255.2232 143.4355
255.7053 117.4644
256.1875 108.0635
256.6696 117.2847
257.1517 129.5669
257.6338 147.1831
258.1159 162.4868
258.5981 168.0781
259.0802 161.8027
259.5623 152.1260
260.0444 147.6855
260.5265 148.1934
261.0086 155.2095
261.4908 186.8232
261.9729 214.7329
262.4550 211.1860
262.9371 169.1304
263.4192 126.7036
263.9013 140.2856
264.3835 226.2344
264.8656 281.9141
265.3477 247.6216
265.8298 197.2080
266.3119 179.0098
266.7940 202.9375
267.2762 236.7358
267.7583 237.8984
268.2404 197.9380
268.7225 171.0566
269.2046 178.9766
269.6867 196.1870
270.1689 209.4370
270.6510 216.2056
271.1331 220.2993
271.6152 225.1318
272.0973 230.3608
272.5794 238.3843
273.0616 249.0796
273.5437 263.1445
274.0258 285.6597
274.5079 316.2671
274.9900 342.3511
275.4721 346.5635
275.9543 324.3301
276.4364 309.6069
276.9185 310.4126
277.4006 317.5640
277.8827 325.7935
278.3648 335.1016
278.8470 350.7041
279.3291 387.0601
279.8112 450.6812
280.2933 482.5718
280.7754 440.3984
281.2575 392.8271
281.7397 370.5420
282.2218 375.3848
282.7039 395.1758
283.1860 428.1997
283.6681 477.3906
284.1502 498.8281
284.6324 459.2124
285.1145 417.2886
285.5966 401.4888
286.0787 410.1831
286.5608 426.1621
287.0429 436.1553
287.5251 439.9287
288.0072 441.5386
288.4893 438.0586
288.9714 439.4551
289.4535 454.8306
289.9356 479.4844
290.4178 498.6367
290.8999 497.4473
291.3820 477.2471
291.8641 463.0864
292.3462 457.1338
292.8283 457.1265
293.3105 464.0811
293.7926 475.0444
294.2747 484.2441
294.7568 487.1670
295.2389 484.8438
295.7210 485.8018
296.2032 490.6743
296.6853 498.3994
297.1674 508.6377
297.6495 519.8291
298.1316 530.6357
298.6137 542.8643
299.0959 556.0220
299.5780 563.1479
300.0601 554.3574
300.5422 557.5366
301.0243 597.3901
301.5064 652.1875
301.9886 688.7593
302.4707 685.3667
302.9528 659.7856
303.4349 655.1777
303.9170 681.1709
304.3991 708.0181
304.8813 726.0127
305.3634 736.2891
305.8455 737.3926
306.3276 726.5977
306.8097 710.9219
307.2918 702.4756
307.7740 703.6089
308.2561 706.5039
308.7382 715.3857
309.2203 721.7007
309.7024 713.4937
310.1845 683.2759
310.6667 651.9604
311.1488 650.9341
311.6309 685.5283
312.1130 708.9487
312.5951 698.7812
313.0772 674.9219
313.5594 653.8413
314.0415 638.8813
314.5236 625.1958
315.0057 603.5400
315.4878 572.7002
315.9699 551.8760
316.4521 557.9683
316.9342 566.7046
317.4163 550.1836
317.8984 505.7100
318.3805 465.5684
318.8626 458.3691
319.3448 478.4673
319.8269 490.5674
320.3090 490.2607
320.7911 478.2422
321.2732 450.2124
321.7553 406.1855
322.2375 368.8916
322.7196 359.9302
323.2017 370.2036
323.6838 369.6948
324.1659 353.5474
324.6480 331.8745
325.1302 309.5586
325.6123 288.3721
326.0944 276.5664
326.5765 283.0508
327.0586 295.5103
327.5407 294.0220
328.0229 279.0063
328.5050 264.3613
328.9871 267.1826
329.4692 280.7720
329.9513 283.0449
330.4334 256.6899
330.9156 225.5176
331.3977 216.4258
331.8798 229.8550
332.3619 244.2246
332.8440 244.3169
333.3261 235.6855
333.8083 240.4170
334.2904 271.9287
334.7725 301.4526
335.2546 308.5562
335.7367 298.1899
336.2188 286.2090
336.7010 279.3447
337.1831 276.8086
337.6652 276.2588
338.1473 284.8657
338.6294 285.0752
339.1115 259.7666
339.5937 221.3062
340.0758 197.8208
340.5579 201.4932
341.0400 221.0640
341.5221 234.1880
342.0042 242.3950
342.4864 242.5791
342.9685 228.6099
343.4506 208.3306
343.9327 192.4214
344.4148 183.7661
344.8969 175.7974
345.3791 157.9141
345.8612 120.0381
346.3433 100.4917
346.8254 108.3076
347.3075 128.4331
347.7896 156.6606
348.2718 189.0879
348.7539 210.9551
349.2360 205.4951
349.7181 166.6133
350.2002 138.7539
350.6823 124.5928
351.1645 116.8989
351.6466 118.5332
352.1287 124.5732
352.6108 121.6958
353.0929 97.94092
353.5750 55.38623
354.0572 32.88574
354.5393 49.64453
355.0214 65.07227
355.5035 72.04053
355.9856 71.61865
356.4677 65.20361
356.9499 53.09912
357.4320 38.19727
357.9141 29.89746
358.3962 30.65820
358.8783 35.31104
359.3604 52.41357
359.8426 68.19873
360.3247 66.02979
360.8068 41.41895
361.2889 9.472656
361.7710 2.814941
362.2531 14.95410
362.7353 24.24658
363.2174 11.48340
363.6995 1.962402
364.1816 1.157715
364.6637 14.20068
365.1458 31.63818
365.6280 37.74121
366.1101 31.50098
366.5922 28.01562
367.0743 29.84570
367.5564 32.27002
368.0385 34.23779
368.5207 35.15039
369.0028 33.75830
369.4849 28.90967
369.9670 21.13574
370.4491 13.02490
370.9312 6.296875
371.4134 4.510742
371.8955 33.76709
372.3776 66.15918
372.8597 76.07275
373.3418 46.48926
373.8239 1.171387
374.3061 29.86572
374.7882 46.23291
375.2703 50.51025
375.7524 34.93311
376.2345 12.20312
376.7166 0.6474610
377.1988 6.230469
377.6809 10.16162
378.1630 10.57959
378.6451 47.06445
379.1272 56.97168
379.6093 17.08789
380.0915 35.49512
380.5736 46.27295
381.0557 13.29443
381.5378 17.29102
382.0199 27.33301
382.5020 27.63184
382.9842 37.74316
383.4663 61.76904
383.9484 77.46191
384.4305 56.43213
384.9126 5.459473
385.3947 37.91895
385.8769 14.32178
386.3590 18.85352
386.8411 30.68994
387.3232 22.84326
387.8053 11.39600
388.2874 6.831055
388.7696 8.032227
389.2517 5.729980
389.7338 11.68359
390.2159 18.77637
390.6980 3.941406
391.1801 38.00439
391.6623 54.11230
392.1444 39.64697
392.6265 7.203613
393.1086 16.44043
393.5907 29.12256
394.0728 34.81396
394.5550 24.19092
395.0371 13.35693
395.5192 17.77588
396.0013 38.17773
396.4834 60.27539
396.9655 65.90186
397.4477 50.42188
397.9298 43.57861
398.4119 51.72559
398.8940 62.88232
399.3761 77.26172
399.8582 91.36816
400.3404 97.35205
400.8225 86.20898
401.3046 64.30225
401.7867 62.89209
402.2688 95.72803
402.7509 124.2236
403.2331 135.2378
403.7152 135.6416
404.1973 131.3682
404.6794 122.6128
405.1615 116.0181
405.6436 119.8872
406.1258 134.5054
406.6079 157.2886
407.0900 197.4590
407.5721 237.2891
408.0542 258.4878
408.5363 259.4990
409.0185 257.7852
409.5006 264.7104
409.9827 276.6426
410.4648 281.8296
410.9469 275.6050
411.4290 272.1968
411.9112 293.0312
412.3933 332.8940
412.8754 355.9097
413.3575 341.5591
413.8396 318.1641
414.3217 311.3984
414.8039 320.2373
415.2860 329.0771
415.7681 328.4795
416.2502 320.4653
416.7323 314.9297
417.2144 304.2241
417.6966 304.4487
418.1787 330.4204
418.6608 367.0938
419.1429 390.4424
419.6250 391.9170
420.1071 383.8076
420.5893 384.2827
421.0714 401.0615
421.5535 408.8286
422.0356 396.5859
422.5177 386.5015
422.9998 395.7583
423.4820 422.2900
423.9641 449.7529
424.4462 463.9355
424.9283 464.8848
425.4104 461.6001
425.8925 442.4697
426.3747 432.5640
426.8568 439.5029
427.3389 459.1665
427.8210 488.1143
428.3031 526.9331
428.7852 565.7065
429.2674 580.1836
429.7495 560.1392
430.2316 546.6274
430.7137 556.8774
431.1958 578.7314
431.6779 606.6680
432.1601 637.3130
432.6422 664.1777
433.1243 680.3940
433.6064 688.0928
434.0885 698.4883
434.5706 714.4810
435.0528 729.5229
435.5349 731.1206
436.0170 723.5806
436.4991 726.5898
436.9812 761.2544
437.4633 804.1724
437.9455 820.5747
438.4276 812.4912
438.9097 820.4756
439.3918 871.6948
439.8739 950.4702
440.3560 1002.120
440.8382 1026.505
441.3203 1028.121
441.8024 984.8657
442.2845 931.0620
442.7666 917.0015
443.2487 951.6499
443.7309 1005.756
444.2130 1038.571
444.6951 1043.916
445.1772 1050.807
445.6593 1059.728
446.1415 1069.498
446.6236 1080.637
447.1057 1092.162
447.5878 1100.650
448.0699 1102.036
448.5521 1098.703
449.0342 1103.371
449.5163 1114.973
449.9984 1142.458
450.4805 1205.604
450.9626 1274.023
451.4448 1311.860
451.9269 1308.395
452.4090 1300.284
452.8911 1342.545
453.3732 1437.791
453.8553 1500.681
454.3375 1500.222
454.8196 1484.666
455.3017 1487.050
455.7838 1505.671
456.2659 1531.644
456.7480 1569.437
457.2302 1608.784
457.7123 1627.963
458.1944 1624.995
458.6765 1631.969
459.1586 1675.019
459.6407 1739.815
460.1229 1778.903
460.6050 1769.760
461.0871 1768.374
461.5692 1810.757
462.0513 1873.569
462.5334 1915.375
463.0156 1923.509
463.4977 1913.158
463.9798 1902.991
464.4619 1888.277
464.9440 1891.193
465.4261 1928.273
465.9083 1966.930
466.3904 1987.644
466.8725 1993.585
467.3546 1999.846
467.8367 2018.180
468.3188 2043.380
468.8010 2047.073
469.2831 2009.880
469.7652 1981.054
470.2473 1972.917
470.7294 1973.946
471.2115 1975.165
471.6937 1974.007
472.1758 1969.429
472.6579 1961.934
473.1400 1951.420
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1241.634 28.88525
1242.116 18.43408
1242.598 24.91504
1243.080 24.62207
1243.563 27.41406
1244.045 23.49707
1244.527 21.63770
1245.009 26.46680
1245.491 27.57422
1245.973 22.83789
1246.455 25.76465
1246.937 14.97559
1247.420 16.20020
1247.902 22.60791
1248.384 18.16162
1248.866 21.16309
1249.348 21.31396
1249.830 12.50293
1250.312 18.70020
1250.794 25.67969
1251.276 25.71484
1251.759 13.73291
1252.241 11.51367
1252.723 32.05469
1253.205 48.80371
1253.687 31.87891
1254.169 1.748535
1254.651 6.012695
1255.133 12.01953
1255.615 17.24561
1256.098 11.65674
1256.580 8.761719
1257.062 10.80273
1257.544 11.06885
1258.026 8.233398
1258.508 2.800781
1258.990 0.3916020
1259.472 4.8827998E-02
1259.955 19.34814
1260.437 39.38525
1260.919 41.78027
1261.401 31.94727
1261.883 17.20068
1262.365 0.8833010
1262.847 7.041016
1263.329 1.944824
1263.812 5.820801
1264.294 15.54443
1264.776 27.29150
1265.258 46.13672
1265.740 59.01221
1266.222 55.42139
1266.704 43.19189
1267.186 33.47607
1267.668 27.22168
1268.151 40.35693
1268.633 73.20264
1269.115 75.74170
1269.597 52.69824
1270.079 35.91406
1270.561 36.05664
1271.043 38.99951
1271.525 35.08398
1272.007 27.79785
1272.490 9.673340
1272.972 5.550781
1273.454 6.059570
1273.936 33.86426
1274.418 46.25732
1274.900 43.87598
1275.382 35.52930
1275.864 24.05762
1276.347 17.64844
1276.829 24.25146
1277.311 27.54834
1277.793 20.13916
1278.275 7.532715
1278.757 2.227051
1279.239 1.872070
1279.721 10.67432
1280.203 24.64600
1280.686 35.44824
1281.168 44.27393
1281.650 47.33691
1282.132 45.29443
1282.614 29.54541
1283.096 0.0000000E+00
