#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-05-24 15:36:57 +0300 (Thu, 24 May 2018) $
#$Revision: 768 $
#$URL: svn://172.16.1.111/rod/cif/1/00/02/1000269.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_1000269
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
_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            R070601.rod
_rod_data_source.block           3500000
_rod_database.code               1000269
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
156.1192 0.0000000E+00
156.6013 4.5898002E-02
157.0834 17.36084
157.5656 39.53760
158.0477 52.09717
158.5298 64.42969
159.0119 80.07715
159.4940 66.49170
159.9761 50.15283
160.4583 42.19629
160.9404 18.11230
161.4225 1.979004
161.9046 22.81543
162.3867 101.0483
162.8688 160.1318
163.3510 138.6577
163.8331 75.96729
164.3152 22.90527
164.7973 0.5610350
165.2794 6.067871
165.7615 0.7612300
166.2437 14.38770
166.7258 27.25244
167.2079 31.37256
167.6900 28.88574
168.1721 23.44482
168.6542 8.998047
169.1364 2.421875
169.6185 2.360352
170.1006 36.41943
170.5827 72.89746
171.0648 88.93555
171.5469 86.55029
172.0291 77.80957
172.5112 69.10400
172.9933 59.74756
173.4754 48.32080
173.9575 28.68115
174.4396 10.53809
174.9218 6.171387
175.4039 15.95996
175.8860 31.87109
176.3681 53.27832
176.8502 76.35498
177.3323 91.78711
177.8144 88.88281
178.2966 77.41992
178.7787 73.75635
179.2608 78.55664
179.7429 90.75879
180.2250 111.2217
180.7071 138.9736
181.1893 169.0098
181.6714 201.9575
182.1535 235.0649
182.6356 258.7856
183.1177 268.0298
183.5998 275.3447
184.0820 295.9038
184.5641 326.9741
185.0462 347.4238
185.5283 324.9473
186.0104 271.4668
186.4925 237.8809
186.9747 239.2886
187.4568 263.8037
187.9389 285.9805
188.4210 305.5303
188.9031 319.4438
189.3852 325.0410
189.8674 323.7930
190.3495 322.5884
190.8316 323.2949
191.3137 322.6479
191.7958 321.9756
192.2779 324.7905
192.7601 328.5630
193.2422 340.7339
193.7243 364.4780
194.2064 389.5425
194.6885 408.3662
195.1706 414.1436
195.6528 412.3940
196.1349 411.9282
196.6170 400.4834
197.0991 405.0688
197.5812 427.8867
198.0633 447.9307
198.5455 457.7075
199.0276 458.6582
199.5097 444.4897
199.9918 405.5400
200.4739 353.4365
200.9560 315.5400
201.4381 294.1587
201.9203 280.7329
202.4024 269.8584
202.8845 261.9502
203.3666 257.7949
203.8487 261.6294
204.3308 269.5986
204.8130 258.3384
205.2951 221.5112
205.7772 180.7754
206.2593 156.5962
206.7414 154.2065
207.2235 146.1665
207.7057 123.2524
208.1878 86.59473
208.6699 66.94189
209.1520 72.08789
209.6341 82.35791
210.1162 71.04150
210.5984 26.26221
211.0805 4.264648
211.5626 1.448242
212.0447 40.46924
212.5268 62.13330
213.0089 54.96777
213.4911 35.93994
213.9732 38.26807
214.4553 66.80420
214.9374 91.37305
215.4195 99.19043
215.9016 84.73584
216.3838 73.28662
216.8659 65.09180
217.3480 59.75586
217.8301 56.32666
218.3122 55.64014
218.7943 55.00830
219.2765 51.24756
219.7586 39.41699
220.2407 42.38770
220.7228 68.51123
221.2049 109.1250
221.6870 132.7671
222.1691 136.2710
222.6513 127.4521
223.1334 109.2256
223.6155 76.19678
224.0976 47.77588
224.5797 23.22314
225.0618 3.754395
225.5440 0.1777340
226.0261 24.76221
226.5082 49.97559
226.9903 52.72168
227.4724 17.97363
227.9545 7.954590
228.4367 16.20117
228.9188 7.138672
229.4009 1.899902
229.8830 1.308105
230.3651 4.054199
230.8472 9.704102
231.3294 21.99902
231.8115 30.74365
232.2936 35.35352
232.7757 36.45654
233.2578 23.05713
233.7399 23.58154
234.2221 70.57227
234.7042 73.93311
235.1863 4.8827998E-02
235.6684 59.57861
236.1505 75.01660
236.6326 33.30176
237.1148 6.448242
237.5969 4.579590
238.0790 11.39160
238.5611 0.8842770
239.0432 49.32422
239.5253 90.36816
240.0075 109.2388
240.4896 100.5303
240.9717 82.96143
241.4538 43.98730
241.9359 0.6147460
242.4180 10.51221
242.9002 24.52881
243.3823 70.75000
243.8644 116.3726
244.3465 167.8403
244.8286 204.0698
245.3107 223.4824
245.7928 227.9873
246.2750 220.6328
246.7571 190.2314
247.2392 164.3086
247.7213 157.3950
248.2034 178.4834
248.6855 199.7690
249.1677 224.7793
249.6498 249.6470
250.1319 254.5776
250.6140 223.0000
251.0961 195.1699
251.5782 196.5215
252.0604 242.9897
252.5425 282.9131
253.0246 313.2690
253.5067 333.8291
253.9888 340.4155
254.4709 314.8584
254.9531 300.4780
255.4352 336.6602
255.9173 464.5537
256.3994 543.9038
256.8815 543.8599
257.3636 473.4043
257.8458 428.6191
258.3279 419.9766
258.8100 421.8325
259.2921 410.8022
259.7742 374.8706
260.2563 357.5732
260.7385 373.0093
261.2206 418.9126
261.7027 444.9517
262.1848 444.9214
262.6669 434.2583
263.1490 426.2314
263.6312 420.9482
264.1133 418.4248
264.5954 420.2173
265.0775 426.1938
265.5596 427.8545
266.0417 423.7661
266.5239 417.6221
267.0060 413.4570
267.4881 411.8389
267.9702 410.0347
268.4523 404.8394
268.9344 395.6875
269.4166 399.2588
269.8987 419.5503
270.3808 446.8345
270.8629 471.4971
271.3450 493.8223
271.8271 510.8560
272.3093 520.2715
272.7914 521.8511
273.2735 524.5537
273.7556 527.8818
274.2377 533.0859
274.7198 541.3457
275.2020 552.5400
275.6841 568.0059
276.1662 589.0171
276.6483 615.5664
277.1304 645.2988
277.6125 679.8008
278.0946 714.6260
278.5768 741.2026
279.0589 758.4790
279.5410 778.8345
280.0231 809.0127
280.5052 848.1035
280.9873 882.6909
281.4695 912.8770
281.9516 937.1929
282.4337 950.3062
282.9158 951.5391
283.3979 954.2861
283.8800 963.5898
284.3622 979.2354
284.8443 1004.235
285.3264 1041.821
285.8085 1077.942
286.2906 1090.827
286.7727 1081.967
287.2549 1070.920
287.7370 1064.068
288.2191 1061.584
288.7012 1063.872
289.1833 1069.424
289.6654 1083.337
290.1476 1123.945
290.6297 1187.314
291.1118 1235.757
291.5939 1240.438
292.0760 1213.340
292.5581 1195.281
293.0403 1186.317
293.5224 1185.635
294.0045 1207.794
294.4866 1251.799
294.9687 1288.677
295.4508 1292.757
295.9330 1278.118
296.4151 1280.292
296.8972 1303.085
297.3793 1333.968
297.8614 1358.607
298.3435 1378.473
298.8257 1400.046
299.3078 1434.065
299.7899 1469.435
300.2720 1483.208
300.7541 1471.718
301.2362 1458.186
301.7184 1451.829
302.2005 1460.671
302.6826 1506.469
303.1647 1659.469
303.6468 1831.546
304.1289 1900.641
304.6111 1843.272
305.0932 1749.034
305.5753 1678.438
306.0574 1628.464
306.5395 1592.219
307.0216 1567.219
307.5038 1553.142
307.9859 1554.952
308.4680 1578.640
308.9501 1598.468
309.4322 1592.354
309.9143 1567.167
310.3965 1538.607
310.8786 1504.837
311.3607 1478.752
311.8428 1475.263
312.3249 1500.653
312.8070 1515.964
313.2892 1493.258
313.7713 1447.365
314.2534 1402.650
314.7355 1362.750
315.2176 1331.914
315.6997 1318.713
316.1819 1330.486
316.6640 1329.201
317.1461 1285.479
317.6282 1221.467
318.1103 1169.518
318.5924 1156.920
319.0746 1145.708
319.5567 1115.967
320.0388 1059.912
320.5209 1013.652
321.0030 991.5815
321.4851 982.4673
321.9673 972.3315
322.4494 956.6987
322.9315 945.4380
323.4136 933.5815
323.8957 925.6807
324.3778 910.6455
324.8599 887.5337
325.3420 855.6113
325.8242 825.6636
326.3063 792.3032
326.7884 762.8008
327.2705 748.5513
327.7526 743.0796
328.2347 738.6606
328.7169 732.2891
329.1990 728.9902
329.6811 733.4814
330.1632 763.2402
330.6453 774.4072
331.1274 753.8203
331.6096 698.2505
332.0917 649.8032
332.5738 600.8237
333.0559 560.7490
333.5380 543.4443
334.0201 559.4268
334.5023 573.2363
334.9844 579.0703
335.4665 577.4688
335.9486 567.9233
336.4307 545.2920
336.9128 523.5801
337.3950 518.6499
337.8771 536.2563
338.3592 547.2222
338.8413 545.6475
339.3234 532.9287
339.8055 514.3916
340.2877 488.2139
340.7698 462.8979
341.2519 448.5713
341.7340 445.7251
342.2161 437.1860
342.6982 417.9048
343.1804 391.5400
343.6625 368.4458
344.1446 348.7158
344.6267 330.8926
345.1088 311.1401
345.5909 290.9692
346.0731 279.9951
346.5552 281.9966
347.0373 291.7593
347.5194 306.0986
348.0015 323.9575
348.4836 329.8164
348.9658 300.5034
349.4479 250.9653
349.9300 219.7617
350.4121 219.0488
350.8942 228.1553
351.3763 221.4707
351.8585 202.0181
352.3406 183.0786
352.8227 171.6758
353.3048 165.9268
353.7869 165.6841
354.2690 174.7910
354.7512 178.2334
355.2333 154.4897
355.7154 114.3096
356.1975 84.78418
356.6796 93.47998
357.1617 110.5835
357.6439 110.5898
358.1260 86.75635
358.6081 59.22803
359.0902 35.46484
359.5723 15.50244
360.0544 0.6005860
360.5366 13.41797
361.0187 21.92383
361.5008 25.53076
361.9829 24.03223
362.4650 18.23096
362.9471 2.162598
363.4293 16.32471
363.9114 27.57910
364.3935 30.04980
364.8756 24.72949
365.3577 6.017578
365.8398 30.24756
366.3220 49.77979
366.8041 31.52295
367.2862 3.127441
367.7683 9.042969
368.2504 20.13232
368.7325 37.02539
369.2146 28.46045
369.6967 5.875000
370.1789 26.54443
370.6610 26.51025
371.1431 18.65527
371.6252 12.76807
372.1073 11.40771
372.5894 5.708008
373.0716 8.975586
373.5537 29.69678
374.0358 35.69678
374.5179 20.19336
375.0000 4.048340
375.4821 4.632324
375.9643 26.24854
376.4464 34.92969
376.9285 22.61621
377.4106 1.416504
377.8927 12.19189
378.3748 9.019531
378.8570 0.4960940
379.3391 11.80762
379.8212 25.17627
380.3033 96.02490
380.7854 32.36230
381.2675 4.026855
381.7497 14.63037
382.2318 77.78174
382.7139 37.22363
383.1960 49.99512
383.6781 64.98047
384.1602 5.789063
384.6424 83.35742
385.1245 25.39209
385.6066 21.56152
386.0887 7.026367
386.5708 18.02441
387.0529 26.51660
387.5351 18.63428
388.0172 34.07324
388.4993 2.825195
388.9814 32.96045
389.4635 46.58057
389.9456 29.89990
390.4278 28.29492
390.9099 30.02002
391.3920 35.14941
391.8741 28.04150
392.3562 9.234375
392.8383 15.07227
393.3205 61.37207
393.8026 102.1128
394.2847 115.0161
394.7668 49.36914
395.2489 5.949219
395.7310 23.23828
396.2132 85.59424
396.6953 125.8940
397.1774 113.5806
397.6595 93.54004
398.1416 87.13916
398.6237 108.8408
399.1059 122.5918
399.5880 117.9355
400.0701 107.1689
400.5522 119.6006
401.0343 177.7075
401.5164 226.2817
401.9986 238.9375
402.4807 199.7100
402.9628 198.4688
403.4449 253.3379
403.9270 325.5864
404.4091 353.7065
404.8913 324.3472
405.3734 306.7695
405.8555 328.9536
406.3376 385.9614
406.8197 421.2173
407.3018 432.2417
407.7840 432.4067
408.2661 427.7891
408.7482 420.2461
409.2303 431.8623
409.7124 479.6533
410.1945 541.5527
410.6767 559.9189
411.1588 537.4316
411.6409 520.2021
412.1230 556.0957
412.6051 620.8848
413.0872 666.0898
413.5693 679.4746
414.0515 675.2744
414.5336 654.9033
415.0157 626.4414
415.4978 615.1924
415.9799 651.6963
416.4620 702.1230
416.9442 736.5117
417.4263 746.9658
417.9084 752.2451
418.3905 768.3438
418.8726 784.7178
419.3547 784.5928
419.8369 737.2793
420.3190 695.2773
420.8011 682.9199
421.2832 704.6631
421.7653 728.9121
422.2474 752.6514
422.7296 774.5723
423.2117 793.2920
423.6938 807.9238
424.1759 817.8623
424.6580 823.9951
425.1401 827.6592
425.6223 834.1016
426.1044 838.6807
426.5865 847.1270
427.0686 864.2744
427.5507 892.7275
428.0328 927.3320
428.5150 970.1768
428.9971 1016.517
429.4792 1056.062
429.9613 1090.403
430.4434 1112.396
430.9255 1111.224
431.4077 1087.129
431.8898 1079.930
432.3719 1094.526
432.8540 1117.678
433.3361 1127.106
433.8182 1124.007
434.3004 1129.387
434.7825 1162.346
435.2646 1207.886
435.7467 1229.896
436.2288 1228.502
436.7109 1224.125
437.1931 1234.189
437.6752 1252.676
438.1573 1265.648
438.6394 1278.078
439.1215 1291.722
439.6036 1304.714
440.0858 1314.057
440.5679 1333.309
441.0500 1369.761
441.5321 1409.289
442.0142 1446.360
442.4963 1471.889
442.9785 1492.743
443.4606 1498.064
443.9427 1496.208
444.4248 1499.279
444.9069 1514.168
445.3890 1531.743
445.8712 1549.849
446.3533 1569.993
446.8354 1580.131
447.3175 1562.996
447.7996 1547.324
448.2817 1558.125
448.7639 1606.292
449.2460 1656.582
449.7281 1711.029
450.2102 1765.653
450.6923 1789.542
451.1744 1771.974
451.6566 1753.999
452.1387 1769.418
452.6208 1820.208
453.1029 1851.689
453.5850 1852.525
454.0671 1843.062
454.5493 1859.420
455.0314 1900.392
455.5135 1948.165
455.9956 1992.282
456.4777 2036.850
456.9598 2099.021
457.4420 2181.255
457.9240 2254.920
458.4062 2281.828
458.8883 2282.859
459.3704 2295.412
459.8525 2341.229
460.3346 2397.398
460.8167 2454.400
461.2989 2510.695
461.7810 2550.522
462.2631 2543.423
462.7452 2532.086
463.2273 2550.231
463.7094 2626.150
464.1916 2695.914
464.6737 2743.469
465.1558 2774.117
465.6379 2799.378
466.1200 2809.382
466.6021 2824.750
467.0843 2851.870
467.5664 2893.082
468.0485 2937.069
468.5306 2992.250
469.0127 3042.052
469.4948 3069.229
469.9770 3071.246
470.4591 3055.839
470.9412 3018.096
471.4233 2964.543
471.9054 2929.115
472.3875 2915.420
472.8697 2901.479
473.3518 2865.199
473.8339 2811.874
474.3160 2782.222
474.7981 2789.863
475.2802 2797.763
475.7624 2741.341
476.2445 2635.942
476.7266 2542.359
477.2087 2517.264
477.6908 2508.064
478.1729 2436.657
478.6551 2299.220
479.1372 2172.958
479.6193 2129.911
480.1014 2120.167
480.5835 2085.706
481.0656 1977.684
481.5478 1872.426
482.0299 1805.900
482.5120 1767.971
482.9941 1716.910
483.4762 1639.414
483.9583 1548.643
484.4405 1446.146
484.9226 1309.675
485.4047 1213.008
485.8868 1183.008
486.3689 1179.110
486.8510 1141.202
487.3332 1050.466
487.8153 961.8623
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1253.898 102.7090
1254.380 129.7373
1254.862 163.2646
1255.344 183.4102
1255.827 135.5430
1256.309 70.42969
1256.791 85.17285
1257.273 184.6367
1257.755 261.7910
1258.237 301.2227
1258.719 314.7334
1259.201 295.5518
1259.684 272.4512
1260.166 281.2314
1260.648 309.2129
1261.130 337.9277
1261.612 364.8301
1262.094 404.5791
1262.576 471.6572
1263.058 497.7715
1263.541 442.8896
1264.023 368.6641
1264.505 362.5557
1264.987 401.2070
1265.469 410.6650
1265.951 361.8232
1266.433 332.6816
1266.915 325.3770
1267.397 324.3604
1267.880 321.8984
1268.362 321.5508
1268.844 339.0898
1269.326 356.1357
1269.808 341.1895
1270.290 286.9961
1270.772 229.1201
1271.254 164.5469
1271.736 129.9385
1272.219 187.7139
1272.701 242.3193
1273.183 187.7852
1273.665 86.92578
1274.147 42.67383
1274.629 65.93262
1275.111 86.89453
1275.593 104.6660
1276.076 118.8945
1276.558 139.6816
1277.040 145.8672
1277.522 105.3486
1278.004 50.79590
1278.486 38.65234
1278.968 69.11914
1279.450 77.74902
1279.932 60.67188
1280.415 47.50195
1280.897 71.35840
1281.379 88.02930
1281.861 59.90723
1282.343 21.60547
1282.825 40.10840
1283.307 104.6758
1283.789 140.3018
1284.271 138.9209
1284.754 124.0791
1285.236 102.4014
1285.718 75.41992
1286.200 31.18555
1286.682 0.9873050
1287.164 0.0000000E+00
