#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 11:15:15 +0300 (Thu, 07 Jun 2018) $
#$Revision: 1031 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000486.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_1000486
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 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            R050160.rod
_rod_data_source.block           3500000
_rod_database.code               1000486
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
128.4585 0.0000000E+00
128.9406 2.347931
129.4227 0.1091610
129.9048 1.309906
130.3869 0.6396480
130.8691 3.024902
131.3512 10.81671
131.8333 20.84171
132.3154 31.49286
132.7975 44.20697
133.2796 59.41452
133.7618 76.11963
134.2439 94.12964
134.7260 114.0151
135.2081 136.2208
135.6902 160.8086
136.1723 188.2801
136.6545 218.5303
137.1366 251.3473
137.6187 288.6273
138.1008 331.5367
138.5829 377.9466
139.0650 424.4623
139.5472 471.5602
140.0293 517.5845
140.5114 563.0452
140.9935 609.6906
141.4756 650.9389
141.9577 686.8493
142.4399 717.2397
142.9220 741.1332
143.4041 758.6793
143.8862 769.4714
144.3683 772.8998
144.8504 767.1707
145.3326 758.4163
145.8147 747.5668
146.2968 734.5076
146.7789 719.2873
147.2610 701.9799
147.7431 682.4974
148.2253 660.2074
148.7074 632.6837
149.1895 605.9689
149.6716 581.6400
150.1537 559.9071
150.6358 538.0804
151.1180 515.8634
151.6001 494.1919
152.0822 474.5452
152.5643 457.1962
153.0464 444.6043
153.5285 436.7390
154.0107 434.0246
154.4928 432.0053
154.9749 429.4797
155.4570 426.4728
155.9391 423.2106
156.4212 419.5199
156.9034 414.7085
157.3855 408.3397
157.8676 401.5508
158.3497 394.8104
158.8318 389.4161
159.3139 384.2642
159.7961 377.3141
160.2782 367.4103
160.7603 356.0823
161.2424 343.8473
161.7245 330.2758
162.2066 316.9606
162.6888 304.6800
163.1709 293.0335
163.6530 281.1452
164.1351 268.2015
164.6172 255.1681
165.0993 242.6246
165.5815 230.5250
166.0636 219.1283
166.5457 208.8958
167.0278 199.4611
167.5099 189.7134
167.9921 179.1066
168.4742 167.9294
168.9563 156.4135
169.4384 144.4221
169.9205 132.3075
170.4026 120.3669
170.8848 108.5053
171.3669 96.52567
171.8490 83.79568
172.3311 71.06961
172.8132 59.23282
173.2953 48.53870
173.7775 38.77255
174.2596 29.86322
174.7417 21.72974
175.2238 14.07419
175.7059 6.378204
176.1880 0.8833920
176.6702 6.864075
177.1523 10.96268
177.6344 13.89810
178.1165 16.47403
178.5986 18.71365
179.0807 20.53766
179.5629 21.97528
180.0450 22.98352
180.5271 23.43842
181.0092 23.24353
181.4913 22.52521
181.9734 21.50610
182.4556 20.19977
182.9377 18.51538
183.4198 16.30157
183.9019 13.60202
184.3840 10.63232
184.8661 7.590973
185.3483 4.301971
185.8304 0.1423030
186.3125 5.441956
186.7946 11.43030
187.2767 17.42926
187.7588 23.47845
188.2409 29.42825
188.7231 34.80276
189.2052 39.99014
189.6873 46.44522
190.1694 54.24503
190.6515 63.19858
191.1336 73.26547
191.6158 84.41385
192.0979 96.14285
192.5800 108.4893
193.0621 121.3559
193.5442 134.0352
194.0263 146.3016
194.5085 159.5066
194.9906 175.5338
195.4727 194.3590
195.9548 214.7803
196.4369 235.5964
196.9190 256.9665
197.4012 281.5947
197.8833 309.3300
198.3654 340.5973
198.8475 375.1454
199.3296 413.1120
199.8117 454.1984
200.2939 498.9120
200.7760 547.0845
201.2581 597.0337
201.7402 650.2729
202.2223 702.2981
202.7044 747.0124
203.1866 784.7715
203.6687 811.2763
204.1508 825.0827
204.6329 826.3592
205.1150 812.5291
205.5971 781.2828
206.0793 737.8256
206.5614 689.7070
207.0435 635.5729
207.5256 583.8630
208.0077 537.7228
208.4898 496.9159
208.9720 463.0767
209.4541 436.3563
209.9362 416.4332
210.4183 403.1026
210.9004 397.2137
211.3825 395.6682
211.8647 397.1081
212.3468 401.3802
212.8289 409.3487
213.3110 421.2990
213.7931 436.9005
214.2752 455.4248
214.7574 477.7263
215.2395 501.5692
215.7216 526.3296
216.2037 551.8679
216.6858 578.0995
217.1679 606.1951
217.6501 634.1720
218.1322 657.4294
218.6143 676.4247
219.0964 690.3442
219.5785 698.9627
220.0606 703.3184
220.5428 699.5780
221.0249 686.8141
221.5070 666.3676
221.9891 641.4413
222.4712 610.8363
222.9533 577.4913
223.4355 542.9557
223.9176 505.8474
224.3997 469.9430
224.8818 434.4488
225.3639 400.3586
225.8460 368.9880
226.3282 340.7139
226.8103 314.8688
227.2924 291.7941
227.7745 271.3561
228.2566 253.0676
228.7387 237.1801
229.2209 223.2904
229.7030 210.8326
230.1851 199.3843
230.6672 189.8435
231.1493 182.7245
231.6314 178.6840
232.1136 175.1294
232.5957 171.7535
233.0778 168.9229
233.5599 167.4901
234.0420 167.3943
234.5241 168.2534
235.0063 170.0925
235.4884 173.0269
235.9705 176.7491
236.4526 181.2281
236.9347 186.6041
237.4168 193.2572
237.8990 201.5708
238.3811 210.6028
238.8632 219.9110
239.3453 229.3597
239.8274 239.6591
240.3095 250.4637
240.7917 262.4150
241.2738 276.7547
241.7559 293.8641
242.2380 312.7793
242.7201 332.9794
243.2022 354.3659
243.6844 377.8199
244.1665 403.7632
244.6486 431.4985
245.1307 460.0917
245.6128 489.8358
246.0949 519.9118
246.5771 550.3457
247.0592 581.6768
247.5413 611.4305
248.0234 639.8363
248.5055 666.2911
248.9876 689.3345
249.4697 709.0072
249.9519 725.4566
250.4340 738.3032
250.9161 746.9633
251.3982 754.7836
251.8803 760.2307
252.3624 766.0466
252.8446 776.0390
253.3267 791.6309
253.8088 808.8231
254.2909 827.6136
254.7730 848.8767
255.2551 865.8089
255.7373 879.7717
256.2194 888.0687
256.7015 887.5522
257.1836 878.5642
257.6657 859.9418
258.1479 829.8987
258.6300 788.1674
259.1121 743.8646
259.5942 696.2418
260.0763 646.8134
260.5584 595.1508
261.0406 540.2398
261.5227 487.0063
262.0048 436.0312
262.4869 387.7941
262.9690 343.0992
263.4511 302.2734
263.9333 264.7039
264.4154 229.9363
264.8975 197.4921
265.3796 168.5110
265.8617 143.3242
266.3438 121.9564
266.8260 101.9666
267.3081 83.19312
267.7902 66.33633
268.2723 52.75375
268.7544 42.90634
269.2365 33.74103
269.7187 24.70932
270.2008 15.93045
270.6829 8.565002
271.1650 2.777191
271.6471 1.999756
272.1292 6.011902
272.6114 9.098969
273.0935 11.34363
273.5756 12.62225
274.0577 12.84039
274.5398 11.37360
275.0219 8.260742
275.5041 4.134369
275.9862 0.8631290
276.4683 6.777527
276.9504 12.35709
277.4325 17.07065
277.9146 21.37579
278.3968 26.56165
278.8788 32.66080
279.3610 39.05164
279.8431 45.14813
280.3252 50.85135
280.8073 57.71768
281.2894 66.23007
281.7715 75.96881
282.2537 85.53354
282.7358 94.79892
283.2179 105.2227
283.7000 117.6766
284.1821 132.1718
284.6642 147.1987
285.1464 162.5717
285.6285 179.0512
286.1106 198.0386
286.5927 219.5350
287.0748 242.0005
287.5569 265.2120
288.0391 289.0743
288.5212 312.4930
289.0033 335.8005
289.4854 357.7456
289.9675 377.1272
290.4496 393.9806
290.9318 407.8478
291.4139 418.9140
291.8960 427.0098
292.3781 431.4392
292.8602 432.2505
293.3423 429.4573
293.8245 423.4333
294.3066 413.9699
294.7887 399.8502
295.2708 379.8962
295.7529 355.6865
296.2350 329.2219
296.7172 300.6415
297.1993 273.2166
297.6814 249.1848
298.1635 228.1649
298.6456 209.4662
299.1277 192.6432
299.6099 178.0097
300.0920 167.1918
300.5741 159.7035
301.0562 153.1904
301.5383 146.4305
302.0204 139.3352
302.5026 131.7865
302.9847 123.5608
303.4668 115.1538
303.9489 106.7670
304.4310 98.59055
304.9131 90.73618
305.3953 82.42178
305.8774 74.85095
306.3595 69.77884
306.8416 67.59238
307.3237 67.28525
307.8058 68.34946
308.2880 70.66089
308.7701 73.92969
309.2522 77.93225
309.7343 82.91150
310.2164 89.54819
310.6985 98.16229
311.1807 106.4834
311.6628 113.8694
312.1449 119.8939
312.6270 123.6751
313.1091 125.4141
313.5912 124.4963
314.0734 120.0071
314.5555 111.9520
315.0376 102.5375
315.5197 92.74280
316.0018 82.17004
316.4839 70.65274
316.9661 55.56476
317.4482 41.77216
317.9303 31.51810
318.4124 24.53928
318.8945 18.83887
319.3766 13.24371
319.8588 8.935425
320.3409 6.858307
320.8230 8.158234
321.3051 10.40378
321.7872 12.82861
322.2693 15.67963
322.7515 19.71158
323.2336 25.99231
323.7157 32.82794
324.1978 39.57217
324.6799 46.59720
325.1620 52.48032
325.6442 57.96179
326.1263 62.06708
326.6084 63.06708
327.0905 59.24448
327.5726 53.71890
328.0547 47.25534
328.5369 39.80823
329.0190 31.63513
329.5011 22.21289
329.9832 12.22092
330.4653 2.457977
330.9474 8.269043
331.4296 17.14175
331.9117 23.21017
332.3938 26.22458
332.8759 29.08157
333.3580 32.56238
333.8401 35.04330
334.3223 35.30301
334.8044 32.77371
335.2865 29.24255
335.7686 24.77988
336.2507 19.44821
336.7328 13.96838
337.2150 8.548309
337.6971 2.591766
338.1792 4.465057
338.6613 12.79837
339.1434 21.18555
339.6255 29.47739
340.1077 37.82910
340.5898 47.05289
341.0719 57.19278
341.5540 67.26779
342.0361 76.47455
342.5182 84.80206
343.0004 94.06265
343.4825 104.5096
343.9646 115.1216
344.4467 124.1835
344.9288 131.5740
345.4109 138.8219
345.8931 146.4932
346.3752 154.4245
346.8573 161.6262
347.3394 168.1681
347.8215 173.9937
348.3036 179.0036
348.7858 183.2446
349.2679 186.8837
349.7500 189.6766
350.2321 192.1799
350.7142 195.8422
351.1964 200.4471
351.6785 204.0970
352.1606 205.5164
352.6427 204.9311
353.1248 202.8091
353.6069 199.1876
354.0891 194.1284
354.5712 187.4593
355.0533 179.4034
355.5354 170.4380
356.0175 159.7151
356.4996 148.8864
356.9818 139.5391
357.4639 131.8462
357.9460 125.2628
358.4281 118.8195
358.9102 113.3322
359.3923 110.0900
359.8745 110.4473
360.3566 112.5192
360.8387 115.1622
361.3208 118.4023
361.8029 122.8225
362.2850 129.1956
362.7672 136.5999
363.2493 144.2411
363.7314 150.9620
364.2135 159.0926
364.6956 169.3433
365.1777 181.5330
365.6599 194.9928
366.1420 210.3829
366.6241 226.4444
367.1062 242.2117
367.5883 256.7075
368.0704 273.1342
368.5526 292.5232
369.0347 313.8232
369.5168 335.7300
369.9989 357.8159
370.4810 380.8994
370.9631 404.8900
371.4453 429.4982
371.9274 457.3702
372.4095 489.2294
372.8916 523.3594
373.3737 558.5153
373.8558 594.3143
374.3380 632.0536
374.8201 672.2499
375.3022 714.9064
375.7843 758.7623
376.2664 804.3693
376.7485 850.9567
377.2307 897.7117
377.7128 944.5418
378.1949 993.9821
378.6770 1046.592
379.1591 1101.104
379.6412 1154.596
380.1234 1207.784
380.6055 1257.924
381.0876 1304.106
381.5697 1346.166
382.0518 1384.813
382.5339 1419.930
383.0161 1450.516
383.4982 1474.944
383.9803 1493.532
384.4624 1506.562
384.9445 1513.093
385.4266 1515.042
385.9088 1515.226
386.3909 1513.667
386.8730 1510.963
387.3551 1506.870
387.8372 1501.874
388.3193 1496.544
388.8015 1490.327
389.2836 1484.804
389.7657 1481.118
390.2478 1479.529
390.7299 1480.228
391.2120 1483.592
391.6942 1489.300
392.1763 1498.207
392.6584 1510.532
393.1405 1521.747
393.6226 1530.579
394.1047 1536.757
394.5869 1539.785
395.0690 1541.707
395.5511 1538.373
396.0332 1529.433
396.5153 1514.185
396.9974 1489.916
397.4796 1455.834
397.9617 1412.657
398.4438 1360.561
398.9259 1297.316
399.4080 1229.183
399.8901 1153.180
400.3723 1072.843
400.8544 995.6929
401.3365 920.3060
401.8186 849.1675
402.3007 783.1100
402.7828 722.3492
403.2649 664.5131
403.7470 608.4638
404.2292 556.3375
404.7113 511.0241
405.1934 473.6947
405.6755 438.7855
406.1576 405.8710
406.6397 374.9532
407.1219 346.5966
407.6040 320.8513
408.0861 297.4432
408.5682 276.0446
409.0503 256.9948
409.5324 240.5562
410.0146 227.1015
410.4967 215.2381
410.9788 202.6364
411.4609 189.6156
411.9430 178.2269
412.4251 169.7034
412.9073 163.2553
413.3894 156.5878
413.8715 149.7085
414.3536 143.8488
414.8357 140.1492
415.3178 138.0800
415.8000 136.8174
416.2821 136.4847
416.7642 136.2574
417.2463 134.9246
417.7284 133.0080
418.2105 131.9247
418.6927 132.9211
419.1748 134.6678
419.6569 136.5281
420.1390 138.5780
420.6211 139.5108
421.1032 138.2767
421.5854 135.8187
422.0675 133.1707
422.5496 130.8907
423.0317 128.1531
423.5138 124.9343
423.9959 121.1589
424.4781 116.1926
424.9602 109.0673
425.4423 101.4952
425.9244 94.19781
426.4065 87.19653
426.8886 80.53043
427.3708 74.01364
427.8529 67.85083
428.3350 62.41565
428.8171 58.28265
429.2992 53.79852
429.7813 48.38016
430.2635 42.09116
430.7456 36.31967
431.2277 31.20840
431.7098 26.38824
432.1919 21.35147
432.6740 15.99612
433.1562 11.82797
433.6383 9.260040
434.1204 7.637115
434.6025 5.567963
435.0846 3.071838
435.5667 0.9821470
436.0489 0.1863400
436.5310 0.6258540
437.0131 0.9848020
437.4952 1.298187
437.9773 1.247803
438.4594 0.4182430
438.9416 1.001923
439.4237 2.613007
439.9058 4.294373
440.3879 6.131195
440.8700 8.336212
441.3521 10.81830
441.8343 13.24353
442.3164 15.98459
442.7985 18.24860
443.2806 19.23395
443.7627 18.55896
444.2448 17.82681
444.7270 18.25626
445.2091 18.80228
445.6912 18.22470
446.1733 15.59848
446.6554 12.43893
447.1375 9.149231
447.6197 5.699158
448.1018 1.780548
448.5839 4.051117
449.0660 9.133148
449.5481 12.05945
450.0302 11.62463
450.5124 11.54578
450.9945 11.79776
451.4766 12.40637
451.9587 13.71332
452.4408 16.47253
452.9229 17.81485
453.4051 16.83746
453.8872 13.72501
454.3693 10.03613
454.8514 5.871582
455.3335 0.6082760
455.8156 6.705139
456.2978 15.85272
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