#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:30:00 +0300 (Thu, 24 May 2018) $
#$Revision: 712 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000218.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_1000218
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
_exptl_crystal_density_diffrn    1.790
_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            R060015.rod
_rod_data_source.block           3500000
_rod_database.code               1000218
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
143.2180 0.0000000E+00
143.7001 5.188477
144.1822 1.324707
144.6643 2.780762
145.1464 14.73779
145.6286 53.39990
146.1107 75.38525
146.5928 73.95947
147.0749 55.01807
147.5570 47.98145
148.0391 43.77344
148.5213 30.82568
149.0034 21.91016
149.4855 21.95264
149.9676 20.18848
150.4497 14.82422
150.9318 5.907715
151.4140 0.7880860
151.8961 7.058594
152.3782 9.802734
152.8603 6.541016
153.3424 13.70703
153.8245 30.12256
154.3067 37.57178
154.7888 34.49268
155.2709 31.47656
155.7530 30.78174
156.2351 30.97119
156.7172 30.14258
157.1994 18.36279
157.6815 12.96729
158.1636 22.74365
158.6457 55.62354
159.1278 85.68799
159.6099 100.5786
160.0921 107.0703
160.5742 119.0088
161.0563 153.0869
161.5384 186.0405
162.0205 202.3276
162.5026 185.8535
162.9847 170.3003
163.4669 175.2949
163.9490 195.0020
164.4311 206.6240
164.9132 186.6479
165.3953 159.5474
165.8774 147.3052
166.3596 173.8589
166.8417 203.0869
167.3238 210.7100
167.8059 198.3970
168.2880 188.5317
168.7701 197.6821
169.2523 216.8848
169.7344 234.2471
170.2165 244.7134
170.6986 251.6631
171.1807 257.5420
171.6628 262.4233
172.1450 266.3843
172.6271 266.0415
173.1092 264.6865
173.5913 268.9658
174.0734 285.4941
174.5555 308.0879
175.0377 329.8125
175.5198 350.6094
176.0019 368.6851
176.4840 382.0547
176.9661 391.1616
177.4482 398.0728
177.9304 404.7534
178.4125 409.8403
178.8946 411.2334
179.3767 408.7588
179.8588 402.0737
180.3409 387.2803
180.8231 365.5674
181.3052 346.6367
181.7873 338.5137
182.2694 338.4521
182.7515 338.9336
183.2336 338.6177
183.7158 337.7012
184.1979 336.7622
184.6800 335.7583
185.1621 334.0039
185.6442 337.0591
186.1263 340.9839
186.6084 326.7012
187.0906 277.0059
187.5727 209.1558
188.0548 175.5239
188.5369 178.9580
189.0190 193.0059
189.5011 187.1831
189.9833 163.8066
190.4654 149.3359
190.9475 161.3438
191.4296 191.9048
191.9117 198.4878
192.3938 178.0732
192.8760 145.4785
193.3581 119.3887
193.8402 100.0083
194.3223 80.37256
194.8044 52.52246
195.2865 17.89111
195.7687 4.999023
196.2508 20.01074
196.7329 45.36572
197.2150 49.18848
197.6971 29.07422
198.1792 9.415039
198.6614 3.042969
199.1435 10.37305
199.6256 17.72705
200.1077 23.68164
200.5898 30.19238
201.0719 42.88428
201.5541 64.68896
202.0362 83.61182
202.5183 90.11475
203.0004 81.75098
203.4825 80.22705
203.9646 89.70850
204.4468 106.6484
204.9289 118.5859
205.4110 124.4565
205.8931 128.0347
206.3752 130.7637
206.8573 131.6050
207.3394 137.6104
207.8216 153.0767
208.3037 174.8242
208.7858 182.6084
209.2679 171.1968
209.7500 157.2051
210.2321 156.4761
210.7143 174.6411
211.1964 187.7344
211.6785 190.8384
212.1606 184.5605
212.6427 175.0415
213.1248 159.4585
213.6070 145.1704
214.0891 139.2559
214.5712 143.3677
215.0533 151.5835
215.5354 166.0830
216.0175 187.1670
216.4997 190.4082
216.9818 166.3125
217.4639 135.6772
217.9460 125.4424
218.4281 148.4868
218.9102 160.5576
219.3924 144.2588
219.8745 94.28418
220.3566 68.83984
220.8387 79.20215
221.3208 104.1055
221.8029 115.2690
222.2851 108.9492
222.7672 96.57324
223.2493 79.70068
223.7314 55.74756
224.2135 40.12305
224.6956 35.41504
225.1778 37.29053
225.6599 39.27539
226.1420 44.00684
226.6241 43.96875
227.1062 33.54199
227.5883 3.926758
228.0705 7.064453
228.5526 9.352539
229.0347 39.95068
229.5168 59.30225
229.9989 65.32080
230.4810 63.33789
230.9632 52.99756
231.4453 25.50830
231.9274 13.00146
232.4095 23.73486
232.8916 46.95996
233.3737 55.13672
233.8559 37.25439
234.3380 20.88086
234.8201 18.74658
235.3022 39.35400
235.7843 56.55518
236.2664 72.08398
236.7486 83.95020
237.2307 84.11523
237.7128 62.75830
238.1949 43.62402
238.6770 39.54980
239.1591 60.89893
239.6413 75.20166
240.1234 79.90625
240.6055 76.90869
241.0876 72.57812
241.5697 63.09912
242.0518 57.29443
242.5340 61.42822
243.0161 84.61182
243.4982 98.02344
243.9803 96.03076
244.4624 82.38428
244.9445 73.95215
245.4267 70.13232
245.9088 72.11084
246.3909 82.48047
246.8730 110.4321
247.3551 126.5371
247.8372 125.0322
248.3194 109.0811
248.8015 96.04932
249.2836 87.99805
249.7657 80.79785
250.2478 71.46143
250.7299 57.12354
251.2121 47.80713
251.6942 46.64795
252.1763 52.16895
252.6584 54.04395
253.1405 51.62988
253.6226 47.05225
254.1047 41.52344
254.5869 34.79053
255.0690 28.17236
255.5511 21.18945
256.0332 14.33887
256.5153 10.29297
256.9974 9.368164
257.4796 10.61523
257.9617 14.84668
258.4438 26.98975
258.9259 27.95312
259.4080 8.393555
259.8901 27.10742
260.3723 39.19434
260.8544 17.55713
261.3365 11.18115
261.8186 27.78906
262.3007 29.34424
262.7828 25.79688
263.2650 14.74707
263.7471 1.442383
264.2292 6.080078
264.7113 1.803711
265.1934 19.84326
265.6755 47.09229
266.1577 85.23340
266.6398 128.2612
267.1219 181.6821
267.6040 240.8433
268.0861 271.3540
268.5682 271.3374
269.0504 246.9312
269.5325 194.6006
270.0146 101.4224
270.4967 33.59424
270.9788 6.857910
271.4609 14.31396
271.9431 17.12646
272.4252 13.35791
272.9073 9.929199
273.3894 12.67383
273.8715 22.10742
274.3536 34.94727
274.8358 53.04932
275.3179 73.93701
275.8000 84.75342
276.2821 83.14160
276.7642 78.64258
277.2463 77.91943
277.7285 81.05811
278.2106 87.62256
278.6927 97.42529
279.1748 110.5327
279.6569 123.9961
280.1390 134.8848
280.6212 158.6729
281.1033 219.7461
281.5854 318.5181
282.0675 392.1968
282.5496 424.7749
283.0317 427.0049
283.5139 427.6899
283.9960 425.3667
284.4781 431.7451
284.9602 470.3433
285.4423 538.7539
285.9244 568.2500
286.4065 540.2241
286.8886 474.5991
287.3708 413.5630
287.8529 356.5356
288.3350 314.1333
288.8171 295.5508
289.2992 299.4561
289.7813 319.1479
290.2635 359.7139
290.7456 407.3633
291.2277 433.5759
291.7098 438.5437
292.1919 435.0532
292.6740 422.9229
293.1562 407.7898
293.6383 415.6697
294.1204 459.4739
294.6025 514.1941
295.0846 534.4160
295.5667 523.5518
296.0489 514.9722
296.5310 534.6860
297.0131 574.1880
297.4952 612.1504
297.9773 644.3550
298.4594 675.1155
298.9416 703.1064
299.4237 742.9321
299.9058 775.1152
300.3879 799.8936
300.8700 797.2070
301.3521 828.9634
301.8343 847.0762
302.3164 864.9700
302.7985 902.3647
303.2806 903.9075
303.7627 940.0005
304.2448 960.4766
304.7270 985.9829
305.2091 996.3250
305.6912 1010.108
306.1733 1037.385
306.6554 1057.414
307.1375 1038.159
307.6197 1037.091
308.1018 1036.654
308.5839 1036.664
309.0660 1036.846
309.5481 1037.933
310.0302 1037.806
310.5124 1037.416
310.9945 1036.090
311.4766 1032.507
311.9587 1024.220
312.4408 1013.760
312.9229 1001.055
313.4051 984.6213
313.8872 976.5325
314.3693 992.1147
314.8514 1017.434
315.3335 1032.684
315.8156 1030.668
316.2978 1016.947
316.7799 987.0791
317.2620 937.7520
317.7441 902.7456
318.2262 905.4565
318.7083 924.4795
319.1905 935.2852
319.6726 925.9700
320.1547 912.6074
320.6368 902.7617
321.1189 896.8071
321.6010 887.0925
322.0832 871.8770
322.5653 853.1501
323.0474 835.2944
323.5295 812.2197
324.0116 796.8535
324.4937 800.1165
324.9759 820.8088
325.4580 822.3359
325.9401 780.3276
326.4222 729.9365
326.9043 694.7737
327.3864 685.9033
327.8686 680.8564
328.3507 682.5479
328.8328 689.0977
329.3149 685.2578
329.7970 660.8909
330.2791 635.0864
330.7612 617.9529
331.2433 611.8770
331.7255 611.2236
332.2076 619.7549
332.6897 633.8010
333.1718 638.9243
333.6539 628.2764
334.1360 618.2961
334.6182 617.6252
335.1003 631.6252
335.5824 623.2737
336.0645 633.3545
336.5466 635.7852
337.0287 630.9460
337.5109 598.7061
337.9930 600.5884
338.4751 588.0271
338.9572 574.3450
339.4393 579.4575
339.9214 548.3765
340.4036 552.0786
340.8857 541.1274
341.3678 536.0830
341.8499 516.5081
342.3320 500.7007
342.8141 498.3279
343.2963 487.6562
343.7784 464.2703
344.2605 456.3340
344.7426 419.2610
345.2247 406.7231
345.7068 404.4563
346.1890 379.0156
346.6711 386.4336
347.1532 378.7302
347.6353 348.6782
348.1174 315.5864
348.5995 300.6284
349.0817 298.7993
349.5638 290.5718
350.0459 268.1985
350.5280 238.0518
351.0101 207.7644
351.4922 177.8137
351.9744 152.4438
352.4565 136.2139
352.9386 126.9226
353.4207 121.6206
353.9028 122.5779
354.3849 122.6262
354.8671 113.0356
355.3492 95.90210
355.8313 78.85620
356.3134 65.42456
356.7955 54.93286
357.2776 48.01294
357.7598 47.05444
358.2419 43.69482
358.7240 29.75952
359.2061 9.559570
359.6882 8.063965
360.1703 22.17188
360.6525 30.46533
361.1346 29.61328
361.6167 17.21826
362.0988 6.218994
362.5809 0.8862300
363.0630 3.084717
363.5452 0.9150390
364.0273 20.62476
364.5094 38.20142
364.9915 47.80298
365.4736 48.84155
365.9557 45.15112
366.4379 26.48340
366.9200 8.745361
367.4021 5.325439
367.8842 38.80811
368.3663 63.12695
368.8484 67.06592
369.3306 52.23413
369.8127 44.75732
370.2948 49.68750
370.7769 57.29468
371.2590 61.91846
371.7411 61.51245
372.2233 61.79468
372.7054 62.96338
373.1875 65.14771
373.6696 69.85913
374.1517 81.46899
374.6339 87.64941
375.1159 92.44556
375.5981 72.24561
376.0802 58.90991
376.5623 52.04980
377.0444 71.79053
377.5265 56.62476
378.0086 55.10400
378.4908 53.90332
378.9729 33.11011
379.4550 47.69800
379.9371 26.69165
380.4192 19.52368
380.9013 5.625000
381.3835 5.424561
381.8656 0.6240230
382.3477 18.44678
382.8298 30.06470
383.3119 29.80664
383.7940 45.84082
384.2762 33.58521
384.7583 46.70386
385.2404 70.93970
385.7225 85.00049
386.2046 112.6516
386.6867 140.9907
387.1689 164.3462
387.6510 172.7949
388.1331 168.9797
388.6152 163.8779
389.0973 164.9871
389.5794 167.8320
390.0616 165.9126
390.5437 155.1768
391.0258 150.0488
391.5079 165.0525
391.9900 191.7168
392.4721 215.1030
392.9543 226.0024
393.4364 234.2502
393.9185 244.8655
394.4006 258.4568
394.8827 273.1006
395.3648 288.4365
395.8470 304.3367
396.3291 320.6543
396.8112 343.2600
397.2933 360.1670
397.7754 360.6331
398.2575 346.2634
398.7397 350.6372
399.2218 391.4121
399.7039 440.6272
400.1860 483.2581
400.6681 521.3623
401.1502 549.1709
401.6324 560.0901
402.1145 561.2100
402.5966 573.2505
403.0787 598.0874
403.5608 630.8679
404.0429 671.9084
404.5251 724.6182
405.0072 769.1851
405.4893 803.4214
405.9714 832.5872
406.4535 864.9097
406.9356 900.5554
407.4178 938.2129
407.8999 977.8682
408.3820 1019.009
408.8641 1061.818
409.3462 1106.819
409.8283 1150.389
410.3105 1187.716
410.7926 1220.197
411.2747 1257.719
411.7568 1305.518
412.2389 1355.775
412.7210 1394.929
413.2032 1424.542
413.6853 1453.679
414.1674 1488.851
414.6495 1527.895
415.1316 1566.375
415.6137 1603.333
416.0959 1642.924
416.5780 1695.893
417.0601 1753.879
417.5422 1798.710
418.0243 1816.040
418.5064 1824.048
418.9886 1832.012
419.4707 1840.826
419.9528 1858.336
420.4349 1900.598
420.9170 1946.888
421.3991 1977.209
421.8812 1959.537
422.3633 1952.733
422.8455 1985.688
423.3276 2049.353
423.8097 2085.889
424.2918 2064.461
424.7739 2035.043
425.2560 2020.194
425.7382 2022.502
426.2203 2029.775
426.7024 2049.169
427.1845 2073.705
427.6666 2087.291
428.1487 2085.918
428.6309 2078.266
429.1130 2064.695
429.5951 2044.900
430.0772 2033.712
430.5593 2032.922
431.0414 2036.471
431.5236 2037.403
432.0057 2034.867
432.4878 2035.513
432.9699 2040.403
433.4520 2051.314
433.9341 2073.959
434.4163 2108.149
434.8984 2131.337
435.3805 2118.232
435.8626 2083.572
436.3447 2075.902
436.8268 2106.817
437.3090 2147.012
437.7911 2164.415
438.2732 2167.826
438.7553 2183.269
439.2374 2236.568
439.7195 2297.962
440.2017 2340.052
440.6838 2361.765
441.1659 2372.002
441.6480 2360.422
442.1301 2346.566
442.6122 2350.629
443.0944 2396.428
443.5765 2440.903
444.0586 2466.216
444.5407 2477.520
445.0228 2493.101
445.5049 2527.795
445.9871 2559.487
446.4692 2576.782
446.9513 2571.426
447.4334 2569.314
447.9155 2570.949
448.3976 2576.303
448.8798 2585.237
449.3619 2597.547
449.8440 2613.949
450.3261 2635.816
450.8082 2662.777
451.2903 2686.552
451.7725 2706.356
452.2546 2723.855
452.7367 2736.810
453.2188 2743.476
453.7009 2765.579
454.1830 2810.434
454.6652 2865.162
455.1473 2902.342
455.6294 2922.344
456.1115 2945.816
456.5936 2985.871
457.0757 3037.707
457.5579 3087.751
458.0400 3136.597
458.5221 3180.875
459.0042 3212.388
459.4863 3237.959
459.9684 3271.140
460.4506 3312.700
460.9327 3367.501
461.4148 3445.070
461.8969 3540.553
462.3790 3634.971
462.8611 3718.144
463.3433 3796.161
463.8254 3872.866
464.3075 3950.217
464.7896 4022.599
465.2717 4083.234
465.7538 4138.020
466.2359 4194.814
466.7180 4252.235
467.2002 4315.138
467.6823 4389.205
468.1644 4474.511
468.6465 4547.413
469.1286 4601.637
469.6107 4648.906
470.0929 4699.657
470.5750 4761.586
471.0571 4802.033
471.5392 4810.673
472.0213 4801.961
472.5034 4811.717
472.9856 4843.925
473.4677 4871.171
473.9498 4886.714
474.4319 4888.917
474.9140 4860.275
475.3961 4797.983
475.8783 4727.863
476.3604 4674.939
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1245.818 127.1248
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1248.229 94.34180
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1253.050 40.09180
1253.532 36.99512
1254.014 57.91016
1254.496 80.05176
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1256.907 50.34058
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1272.817 84.44482
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1283.423 35.73682
1283.905 22.37256
1284.387 0.0000000E+00
