#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:33:50 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1148 $
#$URL: svn://172.16.1.111/rod/cif/1/00/05/1000568.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_1000568
loop_
_publ_author_name
'Ferro, O.'
'Quartieri, S.'
'Vezzalini, G.'
'Ceriani, C.'
'Fois, E.'
'Gamba, A.'
'Cruciani, G.'
_publ_section_title
;
 Dehydration dynamics of bikitaite: I. In situ synchrotron powder X-ray
 diffraction study Sample: T = 30 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              94
_journal_page_last               101
_journal_volume                  89
_journal_year                    2004
_chemical_compound_source        R050160
_chemical_formula_sum            'Al H2 Li O7 Si2'
_chemical_name_mineral           Bikitaite
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                89.892
_cell_angle_beta                 114.423
_cell_angle_gamma                89.955
_cell_length_a                   8.6121
_cell_length_b                   4.9579
_cell_length_c                   7.6040
_cell_volume                     295.621
_diffrn_ambient_temperature      303.15
_exptl_crystal_density_diffrn    2.293
_cod_original_formula_sum        'Li Al Si2 O7 H2'
_cod_database_code               9003099
_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            R050160.rod
_rod_data_source.block           3500000
_rod_database.code               1000568
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 9003099 COD http://www.crystallography.net/cod/9003099.html
;
XRD analysis data was done.
;
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
154.2135 0.0000000E+00
154.6956 1.6205000E-02
155.1777 3.330750
155.6598 7.990631
156.1420 13.04572
156.6241 18.27454
157.1062 23.12082
157.5883 27.43100
158.0704 30.99722
158.5525 33.54688
159.0347 35.23993
159.5168 36.37027
159.9989 37.06036
160.4810 36.76730
160.9631 36.32925
161.4452 35.68982
161.9274 34.92178
162.4095 34.21970
162.8916 34.15500
163.3737 34.50064
163.8558 35.09892
164.3379 36.05649
164.8201 37.84039
165.3022 41.63852
165.7843 46.33450
166.2664 50.33264
166.7485 52.63046
167.2306 53.64586
167.7128 52.73355
168.1949 49.82796
168.6770 46.42371
169.1591 43.52818
169.6412 40.83623
170.1233 37.43544
170.6055 33.02139
171.0876 27.67953
171.5697 23.15508
172.0518 19.87515
172.5339 16.67456
173.0160 13.16370
173.4982 9.464111
173.9803 6.098236
174.4624 3.529358
174.9445 1.786942
175.4266 4.1168001E-02
175.9087 2.050705
176.3909 3.932129
176.8730 5.157349
177.3551 5.700134
177.8372 5.727737
178.3193 5.134262
178.8014 4.086868
179.2836 3.081390
179.7657 2.464539
180.2478 1.862976
180.7299 0.6926730
181.2120 1.133987
181.6941 3.329208
182.1763 6.183167
182.6584 9.247711
183.1405 11.58170
183.6226 12.10718
184.1047 11.56465
184.5868 12.52867
185.0690 15.81377
185.5511 19.48869
186.0332 22.79961
186.5153 25.76398
186.9974 28.44383
187.4795 30.78046
187.9617 32.80559
188.4438 34.93015
188.9259 36.53749
189.4080 38.96510
189.8901 42.96161
190.3722 48.12520
190.8544 53.56187
191.3365 58.46956
191.8186 62.79158
192.3007 67.70573
192.7828 73.43657
193.2649 79.56964
193.7471 85.79608
194.2292 92.24539
194.7113 99.32794
195.1934 107.3499
195.6755 116.3495
196.1576 126.4807
196.6398 138.1087
197.1219 150.2635
197.6040 161.9402
198.0861 173.4192
198.5682 186.2009
199.0503 201.7490
199.5325 220.5592
200.0146 240.1870
200.4967 261.9145
200.9788 283.4219
201.4609 304.1443
201.9430 323.7470
202.4252 340.4885
202.9073 353.2630
203.3894 361.5634
203.8715 363.1761
204.3536 356.1804
204.8357 343.4362
205.3179 326.5124
205.8000 305.3878
206.2821 282.9120
206.7642 260.7829
207.2463 239.1411
207.7284 219.8106
208.2106 202.8775
208.6927 188.5626
209.1748 177.2441
209.6569 168.9888
210.1390 163.4939
210.6211 161.0195
211.1033 161.0240
211.5854 162.9655
212.0675 167.8235
212.5496 174.4505
213.0317 182.4805
213.5138 191.9624
213.9960 202.7482
214.4781 215.1649
214.9602 228.6706
215.4423 242.2362
215.9244 255.4990
216.4065 268.5552
216.8886 281.2310
217.3708 294.3306
217.8529 305.2752
218.3350 313.8259
218.8171 319.7430
219.2992 322.6098
219.7813 322.0517
220.2635 318.2521
220.7456 312.2504
221.2277 303.4862
221.7098 292.8757
222.1919 280.1058
222.6740 265.9305
223.1562 251.3480
223.6383 236.9390
224.1204 222.7628
224.6025 209.5179
225.0846 197.0037
225.5667 185.9607
226.0489 176.7008
226.5310 168.9959
227.0131 162.5205
227.4952 157.0715
227.9773 152.6347
228.4594 148.5060
228.9416 144.1561
229.4237 140.6841
229.9058 138.3707
230.3879 137.1545
230.8700 136.9478
231.3521 137.7394
231.8343 139.4759
232.3164 141.4174
232.7985 143.2409
233.2806 145.5503
233.7627 148.3207
234.2448 151.6859
234.7270 156.0950
235.2091 162.0166
235.6912 169.2061
236.1733 174.9699
236.6554 177.4653
237.1375 180.9062
237.6197 187.1621
238.1018 195.3631
238.5839 203.4515
239.0660 210.0564
239.5481 215.6623
240.0302 223.3012
240.5124 233.8915
240.9945 244.9874
241.4766 255.3284
241.9587 265.4210
242.4408 276.6413
242.9229 289.9048
243.4051 304.6880
243.8872 319.2020
244.3693 332.9162
244.8514 347.0807
245.3335 362.2927
245.8156 378.3164
246.2978 394.7621
246.7799 412.1592
247.2620 428.9587
247.7441 442.3497
248.2262 452.2770
248.7083 459.5238
249.1905 463.6073
249.6726 465.0895
250.1547 465.8994
250.6368 466.2388
251.1189 466.8191
251.6010 468.4262
252.0832 470.9224
252.5653 474.8016
253.0474 481.2692
253.5295 489.6613
254.0116 497.3794
254.4937 504.2656
254.9759 509.2926
255.4580 512.5916
255.9401 514.3558
256.4222 511.7988
256.9043 502.9695
257.3864 488.2506
257.8686 469.3181
258.3507 445.2992
258.8328 418.2301
259.3149 390.1019
259.7970 360.9898
260.2791 331.4418
260.7613 300.7837
261.2434 269.6341
261.7255 241.1784
262.2076 216.4814
262.6897 194.0508
263.1718 172.3004
263.6540 151.4094
264.1361 132.1114
264.6182 114.9215
265.1003 99.82083
265.5824 86.27167
266.0645 74.79208
266.5467 64.41161
267.0288 54.22375
267.5109 44.55858
267.9930 36.23492
268.4751 30.03232
268.9572 25.57816
269.4394 21.11510
269.9215 16.44481
270.4036 12.07889
270.8857 8.041763
271.3678 4.409134
271.8499 1.407928
272.3321 0.5510250
272.8142 1.731079
273.2963 3.246399
273.7784 5.871048
274.2605 7.422058
274.7426 7.136353
275.2248 5.673996
275.7069 3.843872
276.1890 2.076218
276.6711 0.2637020
277.1532 1.928955
277.6353 4.742004
278.1175 7.418243
278.5996 9.606888
279.0817 11.62997
279.5638 13.72881
280.0459 16.00868
280.5280 18.64064
281.0102 21.95065
281.4923 26.07022
281.9744 30.64577
282.4565 35.39197
282.9386 40.62065
283.4207 46.51530
283.9029 53.13838
284.3850 60.48212
284.8671 68.57164
285.3492 77.53526
285.8313 86.99457
286.3134 96.97922
286.7956 107.3468
287.2777 118.2561
287.7598 129.5625
288.2419 140.8377
288.7240 151.7602
289.2061 162.4639
289.6883 171.9640
290.1704 180.5669
290.6525 187.8033
291.1346 193.5281
291.6167 197.6685
292.0988 200.1323
292.5810 200.8927
293.0631 199.9964
293.5452 196.8386
294.0273 190.8413
294.5094 183.1950
294.9915 173.7780
295.4737 162.9713
295.9558 151.1945
296.4379 138.5342
296.9200 125.1281
297.4021 114.0277
297.8842 106.7334
298.3664 100.2805
298.8485 94.10599
299.3306 88.42145
299.8127 83.89647
300.2948 80.99594
300.7769 79.17953
301.2591 76.25122
301.7412 70.83623
302.2233 65.91330
302.7054 62.32434
303.1875 59.16652
303.6696 55.19347
304.1518 49.93738
304.6339 44.26044
305.1160 39.95988
305.5981 37.68045
306.0802 36.05707
306.5623 34.81606
307.0445 34.29248
307.5266 34.95230
308.0087 36.82774
308.4908 39.34038
308.9729 41.68469
309.4550 43.77184
309.9372 45.90021
310.4193 48.52007
310.9014 50.84225
311.3835 52.44914
311.8656 53.28188
312.3477 53.48123
312.8299 53.26804
313.3120 52.80765
313.7941 50.67778
314.2762 46.06059
314.7583 40.83795
315.2404 35.44641
315.7226 30.04321
316.2047 24.63045
316.6868 19.11943
317.1689 13.60707
317.6510 9.695358
318.1331 8.570679
318.6153 7.711502
319.0974 6.431366
319.5795 5.121094
320.0616 4.391891
320.5437 4.558517
321.0258 5.543243
321.5080 7.119278
321.9901 9.662354
322.4722 12.37769
322.9543 15.21584
323.4364 18.19470
323.9185 21.74661
324.4007 25.88661
324.8828 29.66379
325.3649 31.32559
325.8470 29.80832
326.3291 28.02637
326.8112 26.56145
327.2934 24.45978
327.7755 20.75485
328.2576 15.49809
328.7397 9.702957
329.2218 4.352097
329.7039 0.6773680
330.1861 4.609192
330.6682 6.673065
331.1503 8.591522
331.6324 11.59732
332.1145 15.18970
332.5966 17.94490
333.0788 18.74869
333.5609 17.67642
334.0430 16.37550
334.5251 14.98665
335.0072 13.18878
335.4893 10.86543
335.9715 8.129730
336.4536 5.167816
336.9357 2.101761
337.4178 1.200577
337.8999 5.069977
338.3820 10.15891
338.8642 14.88951
339.3463 18.84628
339.8284 22.59206
340.3105 26.68459
340.7926 31.27534
341.2747 35.97632
341.7568 40.19363
342.2390 43.70403
342.7211 47.24280
343.2032 50.70837
343.6853 54.25827
344.1674 58.24203
344.6495 62.48842
345.1317 66.34991
345.6138 69.15419
346.0959 70.83704
346.5780 72.55380
347.0601 74.06204
347.5422 75.86404
348.0244 78.59009
348.5065 81.66316
348.9886 83.98154
349.4707 84.74704
349.9528 84.46063
350.4349 85.22404
350.9171 88.31241
351.3992 90.46463
351.8813 91.11426
352.3634 90.64047
352.8455 89.31003
353.3276 87.22485
353.8098 84.57407
354.2919 81.66264
354.7740 78.49448
355.2561 75.03905
355.7382 70.65860
356.2203 66.47581
356.7025 62.99452
357.1846 60.34291
357.6667 58.58437
358.1488 58.01965
358.6309 58.69733
359.1130 59.18082
359.5952 58.64496
360.0773 58.90146
360.5594 60.75293
361.0415 63.90025
361.5236 67.72639
362.0057 72.00218
362.4879 76.61481
362.9700 81.22696
363.4521 85.58195
363.9342 90.48117
364.4163 96.27980
364.8984 102.6815
365.3806 109.4445
365.8627 116.5401
366.3448 123.9206
366.8269 131.4620
367.3090 139.1570
367.7911 147.3617
368.2733 156.0158
368.7554 165.4052
369.2375 175.6151
369.7196 186.7071
370.2017 198.7648
370.6838 212.2859
371.1660 226.9409
371.6481 240.6546
372.1302 251.9785
372.6123 264.8075
373.0944 282.5461
373.5765 303.5659
374.0587 324.6428
374.5408 343.9692
375.0229 362.9749
375.5050 383.8726
375.9871 406.7356
376.4692 430.1673
376.9514 453.6413
377.4335 477.0575
377.9156 500.3768
378.3977 523.6600
378.8798 546.8982
379.3619 570.9318
379.8441 595.1524
380.3262 616.9868
380.8083 635.7812
381.2904 651.9718
381.7725 666.1912
382.2546 678.5532
382.7368 688.8432
383.2189 697.5655
383.7010 703.9826
384.1831 706.6392
384.6652 705.3018
385.1473 702.0128
385.6295 698.0339
386.1116 693.3093
386.5937 687.8812
387.0758 680.4973
387.5579 673.2863
388.0400 667.4673
388.5222 663.0918
389.0043 659.7878
389.4864 657.3143
389.9685 655.7526
390.4506 655.7009
390.9327 657.7028
391.4149 660.1983
391.8970 662.7937
392.3791 665.7587
392.8612 670.0016
393.3433 675.6180
393.8254 680.7301
394.3076 683.2236
394.7897 682.7538
395.2718 680.4592
395.7539 678.0984
396.2360 672.1976
396.7181 660.6710
397.2003 643.9075
397.6824 623.5229
398.1645 600.4599
398.6466 574.8921
399.1287 546.6613
399.6108 513.0750
400.0930 480.2867
400.5751 448.2938
401.0572 417.6286
401.5393 388.5313
402.0214 361.1812
402.5035 335.5150
402.9857 311.4017
403.4678 288.6683
403.9499 268.2316
404.4320 250.6029
404.9141 234.3293
405.3962 218.6665
405.8784 203.7103
406.3605 189.9756
406.8426 178.0030
407.3247 167.5782
407.8068 157.6533
408.2889 147.9476
408.7711 139.3408
409.2532 132.2860
409.7353 126.1870
410.2174 120.3321
410.6995 114.4889
411.1816 109.1168
411.6638 104.9657
412.1459 102.2416
412.6280 99.70023
413.1101 97.05476
413.5922 94.70312
414.0743 92.65848
414.5565 91.05513
415.0386 90.32417
415.5207 91.25244
416.0028 93.31166
416.4849 94.42453
416.9670 94.08594
417.4492 94.07059
417.9313 96.13696
418.4134 98.82030
418.8955 100.0993
419.3776 99.10114
419.8597 97.52074
420.3419 97.25575
420.8240 98.09528
421.3061 98.04837
421.7882 96.49979
422.2703 93.89072
422.7524 90.55403
423.2346 86.49051
423.7167 82.66635
424.1988 79.94263
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425.1630 73.64757
425.6451 68.47464
426.1273 63.32599
426.6094 59.32706
427.0915 56.26408
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428.0557 48.47736
428.5378 44.08823
429.0200 39.64546
429.5021 35.30321
429.9842 31.40538
430.4663 28.06302
430.9484 25.19844
431.4305 22.74196
431.9127 20.99774
432.3948 18.90234
432.8769 15.52640
433.3590 12.51308
433.8411 11.44164
434.3232 12.02600
434.8054 12.56122
435.2875 11.67429
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436.7338 8.309616
437.2159 8.414886
437.6981 8.172272
438.1802 7.894348
438.6623 8.087555
439.1444 8.873672
439.6265 9.704742
440.1086 9.603302
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441.5550 7.811249
442.0371 8.660690
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444.4477 10.39990
444.9298 9.434875
445.4119 8.458740
445.8940 7.083740
446.3762 4.781845
446.8583 2.252151
447.3404 0.2133940
447.8225 1.182785
448.3046 2.665176
448.7867 5.306442
449.2689 8.733856
449.7510 10.81052
450.2331 10.87660
450.7152 10.31409
451.1973 10.06194
451.6794 10.04764
452.1616 10.12898
452.6437 10.86728
453.1258 11.21407
453.6079 10.18906
454.0900 7.865036
454.5721 4.558960
455.0543 9.3535997E-02
455.5364 4.873383
456.0185 8.819641
456.5006 11.29596
456.9827 14.59174
457.4648 19.37793
457.9470 25.14584
458.4291 31.43437
458.9112 38.16432
459.3933 45.48158
459.8754 53.63014
460.3575 62.59538
460.8397 71.21968
461.3218 78.96803
461.8039 87.07343
462.2860 95.92996
462.7681 105.3219
463.2502 115.1965
463.7324 125.4711
464.2145 135.3855
464.6966 143.6990
465.1787 149.9548
465.6608 155.8107
466.1429 161.3768
466.6251 166.4554
467.1072 170.5872
467.5893 174.1707
468.0714 178.0920
468.5535 182.9559
469.0356 188.4288
469.5178 193.3859
469.9999 197.2660
470.4820 202.1758
470.9641 208.9416
471.4462 216.7980
471.9283 225.4660
472.4105 234.8493
472.8926 244.3941
473.3747 253.4093
473.8568 262.2276
474.3389 272.1848
474.8210 283.8075
475.3032 295.2632
475.7853 305.5184
476.2674 314.7241
476.7495 322.9450
477.2316 330.0478
477.7137 336.3262
478.1959 341.8684
478.6780 346.7143
479.1601 350.8155
479.6422 353.9015
480.1243 357.1396
480.6064 362.1078
481.0886 369.0785
481.5707 376.2268
482.0528 382.7237
482.5349 389.9870
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