#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-06-07 10:41:46 +0300 (Thu, 07 Jun 2018) $
#$Revision: 930 $
#$URL: svn://172.16.1.111/rod/cif/1/00/04/1000401.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_1000401
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        R060032
_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            R060032.rod
_rod_data_source.block           3500000
_rod_database.code               1000401
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
171.8177 0.0000000E+00
172.2998 2.454590
172.7820 5.378906
173.2641 7.126953
173.7462 11.26172
174.2283 9.476807
174.7104 4.729004
175.1925 8.9599997E-02
175.6747 0.1311040
176.1568 7.194824
176.6389 13.74927
177.1210 13.52759
177.6031 8.967041
178.0852 4.441895
178.5674 2.670654
179.0495 2.421875
179.5316 1.617432
180.0137 0.2548830
180.4958 1.902100
180.9779 1.589111
181.4601 0.4814450
181.9422 3.078125
182.4243 5.417969
182.9064 7.733643
183.3885 10.74243
183.8706 14.83594
184.3528 19.06860
184.8349 21.56738
185.3170 22.47485
185.7991 24.14526
186.2812 29.13574
186.7633 36.30103
187.2455 41.59302
187.7276 43.96606
188.2097 44.64575
188.6918 46.06909
189.1739 48.19360
189.6560 50.13135
190.1382 51.37427
190.6203 51.95044
191.1024 51.85815
191.5845 50.66455
192.0666 49.33911
192.5487 50.33276
193.0309 53.80737
193.5130 58.44434
193.9951 64.05566
194.4772 70.56860
194.9593 75.36328
195.4414 77.16943
195.9236 77.37573
196.4057 80.79688
196.8878 87.84448
197.3699 95.53174
197.8520 100.0330
198.3341 101.2114
198.8163 106.2478
199.2984 117.7388
199.7805 134.0471
200.2626 148.2727
200.7447 160.2854
201.2268 170.4180
201.7090 178.9016
202.1911 185.8037
202.6732 190.6091
203.1553 193.3308
203.6374 193.9202
204.1195 191.4158
204.6017 185.4949
205.0838 177.4739
205.5659 168.6143
206.0480 159.0212
206.5301 147.9380
207.0122 134.7029
207.4944 119.5789
207.9765 105.9011
208.4586 93.69434
208.9407 82.82764
209.4228 73.00732
209.9049 63.97754
210.3871 56.99414
210.8692 52.87793
211.3513 51.49316
211.8334 49.32129
212.3155 45.77393
212.7976 42.44116
213.2798 41.32471
213.7619 43.24585
214.2440 44.92749
214.7261 45.35059
215.2082 44.47974
215.6903 45.00903
216.1725 47.02783
216.6546 50.27344
217.1367 54.89893
217.6188 62.05957
218.1009 67.53027
218.5830 69.85962
219.0651 68.82495
219.5473 68.94580
220.0294 70.96509
220.5115 73.19287
220.9936 73.51685
221.4757 71.51733
221.9578 68.93677
222.4400 66.55786
222.9221 64.60352
223.4042 63.21094
223.8863 62.81616
224.3684 62.46948
224.8505 61.04004
225.3327 58.27979
225.8148 55.06909
226.2969 51.41992
226.7790 47.49292
227.2611 43.96411
227.7432 40.68408
228.2254 38.04395
228.7075 36.53467
229.1896 36.60962
229.6717 37.01660
230.1538 37.50513
230.6359 38.03369
231.1181 39.06226
231.6002 40.48877
232.0823 42.48267
232.5644 45.21338
233.0465 48.87671
233.5286 52.81592
234.0108 57.17993
234.4929 62.05054
234.9750 65.24023
235.4571 64.87720
235.9392 64.45020
236.4213 68.32153
236.9035 80.12329
237.3856 89.30981
237.8677 92.08545
238.3498 87.57178
238.8319 89.64258
239.3140 103.1260
239.7962 118.7722
240.2783 126.6228
240.7604 121.1160
241.2425 118.3804
241.7246 122.2642
242.2067 133.2305
242.6889 143.3511
243.1710 152.6677
243.6531 161.0503
244.1352 168.2661
244.6173 173.0908
245.0994 179.0635
245.5816 187.6414
246.0637 198.9077
246.5458 207.0369
247.0279 210.8203
247.5100 212.7410
247.9921 214.8303
248.4743 216.6062
248.9564 219.7795
249.4385 225.4236
249.9206 233.4692
250.4027 239.4006
250.8848 242.8386
251.3670 244.6670
251.8491 245.3647
252.3312 244.1453
252.8133 243.5508
253.2954 244.0120
253.7775 245.4719
254.2597 247.3801
254.7418 250.3030
255.2239 252.8889
255.7060 254.2761
256.1881 254.9585
256.6702 253.1538
257.1523 248.1895
257.6345 240.3354
258.1166 232.2695
258.5987 225.2095
259.0808 216.2422
259.5629 202.3674
260.0450 181.1458
260.5272 162.3799
261.0093 147.9006
261.4914 136.9741
261.9735 125.9048
262.4556 114.7598
262.9377 103.5330
263.4199 92.08032
263.9020 79.89722
264.3841 69.47437
264.8662 61.51099
265.3483 55.24316
265.8304 47.36011
266.3126 36.97656
266.7947 27.18652
267.2768 19.84204
267.7589 15.14575
268.2410 12.44458
268.7231 12.80347
269.2053 14.62207
269.6874 12.33765
270.1695 3.906738
270.6516 3.181641
271.1337 3.868896
271.6158 3.672852
272.0980 7.867432
272.5801 7.451416
273.0622 4.142578
273.5443 0.7990720
274.0264 4.619385
274.5085 3.061279
274.9907 2.065430
275.4728 1.641846
275.9549 3.371582
276.4370 2.533447
276.9191 2.868652
277.4012 3.283203
277.8834 2.195557
278.3655 3.872559
278.8476 2.780029
279.3297 2.700195
279.8118 2.147461
280.2939 0.8525390
280.7761 1.407959
281.2582 2.104980
281.7403 1.113037
282.2224 0.6413570
282.7045 1.530029
283.1866 3.712891
283.6688 6.842041
284.1509 11.26318
284.6330 15.39478
285.1151 16.60693
285.5972 14.85254
286.0793 14.31079
286.5615 16.78369
287.0436 21.57788
287.5257 25.68945
288.0078 29.09033
288.4899 31.95825
288.9720 34.36426
289.4542 36.36938
289.9363 38.62402
290.4184 41.79224
290.9005 45.16968
291.3826 46.71313
291.8647 46.38330
292.3469 45.32495
292.8290 44.56152
293.3111 43.96338
293.7932 42.93823
294.2753 41.22803
294.7574 39.12671
295.2396 37.14233
295.7217 35.27271
296.2038 33.51611
296.6859 32.60864
297.1680 31.87476
297.6501 28.97290
298.1323 22.38159
298.6144 15.49609
299.0965 13.62207
299.5786 16.24072
300.0607 19.63794
300.5428 21.99414
301.0250 23.46826
301.5071 24.45581
301.9892 25.03638
302.4713 24.98022
302.9534 23.64893
303.4355 21.33594
303.9177 19.13403
304.3998 17.27271
304.8819 15.95435
305.3640 15.59033
305.8461 16.32324
306.3282 17.37793
306.8104 18.53027
307.2925 19.55542
307.7746 19.89111
308.2567 19.04395
308.7388 17.63892
309.2209 16.28516
309.7031 15.07080
310.1852 13.75659
310.6673 11.12891
311.1494 8.570068
311.6315 8.006836
312.1136 12.18433
312.5958 17.05371
313.0779 20.22607
313.5600 21.63330
314.0421 21.72583
314.5242 18.58374
315.0063 14.96094
315.4885 13.64502
315.9706 18.17139
316.4527 22.26099
316.9348 22.68872
317.4169 20.05298
317.8990 17.14355
318.3812 14.84155
318.8633 12.86646
319.3454 11.14380
319.8275 10.39160
320.3096 8.955322
320.7917 5.621094
321.2739 1.311523
321.7560 1.768799
322.2381 2.829102
322.7202 2.536377
323.2023 0.8776860
323.6844 3.102295
324.1666 6.228027
324.6487 7.273682
325.1308 7.189209
325.6129 7.429688
326.0950 8.073486
326.5771 9.019531
327.0593 10.61621
327.5414 13.42896
328.0235 14.20972
328.5056 11.00244
328.9877 6.206299
329.4698 2.428223
329.9520 0.1916500
330.4341 2.391113
330.9162 4.375000
331.3983 6.146729
331.8804 7.262695
332.3625 7.109863
332.8447 6.214355
333.3268 4.845703
333.8089 2.487793
334.2910 0.5410160
334.7731 0.9694820
335.2552 1.989746
335.7374 1.878662
336.2195 0.6274410
336.7016 2.470703
337.1837 1.919922
337.6658 1.641602
338.1479 5.594238
338.6301 10.12598
339.1122 14.56543
339.5943 16.88477
340.0764 15.83643
340.5585 16.51758
341.0406 22.16064
341.5227 33.35840
342.0049 41.38525
342.4870 46.00977
342.9691 48.10693
343.4512 48.25439
343.9333 46.34717
344.4154 44.70361
344.8976 44.03613
345.3797 44.32373
345.8618 46.07666
346.3439 49.75586
346.8260 52.22900
347.3081 48.72168
347.7903 40.37695
348.2724 34.97510
348.7545 35.09424
349.2366 38.68750
349.7187 43.11133
350.2008 48.22900
350.6830 50.96436
351.1651 46.34424
351.6472 37.80176
352.1293 34.09717
352.6114 38.07324
353.0935 43.57520
353.5757 43.09473
354.0578 37.99512
354.5399 33.06396
355.0220 31.08252
355.5041 30.69385
355.9862 30.20557
356.4684 29.36084
356.9505 28.99658
357.4326 29.94482
357.9147 31.73438
358.3968 33.59863
358.8789 36.39355
359.3611 38.25537
359.8432 36.89111
360.3253 32.45996
360.8074 29.24463
361.2895 28.97559
361.7716 31.12891
362.2538 35.30664
362.7359 43.74023
363.2180 51.64746
363.7001 56.79297
364.1822 59.96045
364.6643 63.75342
365.1465 69.46143
365.6286 75.81055
366.1107 82.16992
366.5928 88.46045
367.0749 94.94727
367.5570 101.1270
368.0392 107.6675
368.5213 115.7397
369.0034 126.3076
369.4855 137.3560
369.9676 148.5303
370.4497 159.7744
370.9319 170.1719
371.4140 178.9824
371.8961 187.2178
372.3782 195.6787
372.8603 203.8379
373.3424 212.8550
373.8246 223.1655
374.3067 234.5112
374.7888 245.6357
375.2709 256.4307
375.7530 267.3789
376.2351 279.1807
376.7173 292.2251
377.1994 304.5835
377.6815 315.7827
378.1636 327.0400
378.6457 341.7368
379.1278 361.0869
379.6100 378.5894
380.0921 390.7612
380.5742 397.6968
381.0563 405.1660
381.5384 413.4028
382.0205 421.6655
382.5027 428.9160
382.9848 435.1670
383.4669 440.6826
383.9490 446.3271
384.4311 450.7139
384.9132 449.8081
385.3954 443.7510
385.8775 437.2764
386.3596 434.2319
386.8417 433.4731
387.3238 432.3486
387.8059 429.7759
388.2881 427.5596
388.7702 428.9009
389.2523 432.5591
389.7344 434.7671
390.2165 432.1958
390.6986 428.0332
391.1808 425.0269
391.6629 423.2256
392.1450 423.3799
392.6271 428.1982
393.1092 434.5938
393.5913 438.4829
394.0735 436.3677
394.5556 433.3267
395.0377 431.5981
395.5198 431.2734
396.0019 431.6655
396.4840 438.5571
396.9662 442.4248
397.4483 436.6328
397.9304 411.2954
398.4125 388.3511
398.8946 372.3984
399.3767 361.0234
399.8589 348.3120
400.3410 332.8242
400.8231 316.7275
401.3052 300.2515
401.7873 282.8989
402.2694 266.9189
402.7516 253.2822
403.2337 240.2441
403.7158 225.5234
404.1979 207.1689
404.6800 191.3462
405.1621 179.4419
405.6443 171.0728
406.1264 163.8838
406.6085 158.4453
407.0906 152.7817
407.5727 144.9023
408.0548 134.4771
408.5370 126.3896
409.0191 121.6440
409.5012 118.5635
409.9833 114.2905
410.4654 108.8047
410.9475 103.1304
411.4297 97.25586
411.9118 91.50732
412.3939 87.46289
412.8760 85.25928
413.3581 83.43896
413.8402 80.45898
414.3224 76.80078
414.8045 73.70166
415.2866 72.06836
415.7687 70.56299
416.2508 67.02588
416.7329 62.04590
417.2151 58.06934
417.6972 57.78076
418.1793 58.58984
418.6614 57.75977
419.1435 54.46338
419.6256 51.32080
420.1078 51.17773
420.5899 51.83057
421.0720 50.05566
421.5541 40.81055
422.0362 32.51904
422.5183 29.05908
423.0005 30.48535
423.4826 31.96094
423.9647 32.03516
424.4468 31.98877
424.9289 32.61523
425.4110 35.45996
425.8932 37.08691
426.3753 37.04834
426.8574 35.65918
427.3395 33.56494
427.8216 29.51123
428.3037 26.29395
428.7859 24.86377
429.2680 25.35840
429.7501 26.60254
430.2322 29.55762
430.7143 31.78809
431.1964 30.01123
431.6786 23.28906
432.1607 17.57324
432.6428 14.27832
433.1249 12.70361
433.6070 10.72119
434.0891 8.401855
434.5713 5.725098
435.0534 2.661133
435.5355 0.6669920
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436.9818 11.83398
437.4640 11.55615
437.9461 8.704590
438.4282 6.506348
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439.3924 8.348145
439.8745 8.897461
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441.3209 3.673828
441.8030 0.3520510
442.2851 2.251953
442.7672 0.3481450
443.2493 1.248047
443.7314 1.3184000E-02
444.2136 2.975586
444.6957 5.517578
445.1778 6.901367
445.6599 7.785645
446.1420 8.718750
446.6241 9.853027
447.1063 9.439453
447.5884 5.080566
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448.5526 2.011719
449.0347 0.5693360
449.5168 1.128906
449.9990 3.115234
450.4811 5.231445
450.9632 6.803223
451.4453 7.075684
451.9274 8.347656
452.4095 12.43750
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453.3738 22.87207
453.8559 20.56787
454.3380 16.48730
454.8201 14.20947
455.3022 13.76807
455.7844 14.60596
456.2665 17.01953
456.7486 20.21826
457.2307 22.41846
457.7128 23.67627
458.1949 25.01562
458.6771 26.50049
459.1592 28.59570
459.6413 32.63232
460.1234 38.90430
460.6055 45.14160
461.0876 48.33545
461.5698 50.32666
462.0519 54.29150
462.5340 64.57422
463.0161 74.31543
463.4982 78.13818
463.9803 77.28223
464.4625 77.24121
464.9446 81.09375
465.4267 85.99463
465.9088 90.02490
466.3909 92.19971
466.8730 95.76123
467.3552 101.3867
467.8373 108.7065
468.3194 117.2896
468.8015 129.7578
469.2836 140.0952
469.7657 146.1987
470.2479 148.6870
470.7300 153.5356
471.2121 161.1343
471.6942 170.3213
472.1763 181.0640
472.6584 193.9175
473.1406 204.4614
473.6227 211.9097
474.1048 218.1250
474.5869 226.1357
475.0690 236.0259
475.5511 245.3467
476.0333 252.9277
476.5154 259.7109
476.9975 269.4180
477.4796 281.8677
477.9617 292.3853
478.4438 296.1816
478.9260 295.9639
479.4081 296.4331
479.8902 298.1802
480.3723 300.9102
480.8544 305.3716
481.3365 310.4634
481.8187 314.3149
482.3008 315.5186
482.7829 315.7510
483.2650 315.0742
483.7471 313.8301
484.2292 314.3643
484.7114 319.1182
485.1935 324.7632
485.6756 328.9722
486.1577 329.2642
486.6398 332.8286
487.1219 343.8291
487.6041 357.2700
488.0862 366.2422
488.5683 367.7969
489.0504 370.0225
489.5325 374.4170
490.0146 380.7871
490.4968 387.8550
490.9789 395.8110
491.4610 403.6226
491.9431 410.4194
492.4252 416.0312
492.9073 423.0215
493.3895 432.2739
493.8716 440.5161
494.3537 442.6401
494.8358 439.6152
495.3179 437.1958
495.8000 438.8110
496.2822 441.0981
496.7643 438.4819
497.2464 431.4492
497.7285 423.0786
498.2106 414.4688
498.6927 406.1704
499.1749 399.1680
499.6570 393.7637
500.1391 385.9336
500.6212 371.6245
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1292.257 0.0000000E+00
