#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000005.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_1000005
loop_
_publ_author_name
'Salaun, S'
'Fornoni, Mt.'
'Bulou, A'
'Rousseau, M'
'Simon, P'
'Gesland, Jy.'
_publ_section_title
;
 Lattice dynamics of fluoride scheelites: I. Raman and infrared study of
 LiYF4 and LiLnF4 (Ln = Ho, Er, Tm and Yb)
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              6941
_journal_page_last               6956
_journal_volume                  9
_journal_year                    1997
_chemical_compound_source        Commercial
_chemical_formula_structural     'Li Y F4'
_chemical_formula_sum            'F4 Li Y'
_chemical_name_mineral           'Li Y F4'
_cod_original_formula_sum        'Li Y F4'
_[local]_database_code_rod       7200002
_raman_determination_method      experimental
_[local]_chemical_compound_color Blue
_[local]_chemical_compound_state Solid
_raman_measurement_device.location 'IMMM Maine university'
_raman_measurement_device.company 'HORIBA Jobin Yvon'
_raman_measurement_device.model  T64000
_raman_measurement_device.optics_type microscope
_raman_measurement_device.microscope_system dispersive
_raman_measurement_device.microscope_objective_magnification 100
_raman_measurement_device.microscope_numerical_aperture 0.90
_raman_measurement_device.excitation_laser_type Argon-Krypton
_raman_measurement_device.excitation_laser_wavelength 514
_raman_measurement_device.configuration triple
_raman_measurement_device.resolution 2.5
_raman_measurement_device.power_on_sample 100
_raman_measurement_device.direction_polarization Z(XX)Z
_raman_measurement_device.spot_size 250
_raman_measurement_device.diffraction_grating 600
_raman_measurement.environment   Air
_raman_measurement.environment_details
;
 The sample was measured in air.
;
_raman_measurement.temperature   296
_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 600
_raman_measurement.range_min     10.3909
_raman_measurement.range_max     668.802
_rod_data_source.file            YE0009.rod
_rod_data_source.block           7200002
_rod_database.code               1000005
loop_
_raman_complementary.id
_raman_complementary.method
1 FTIR
loop_
_raman_prediction.id
_raman_prediction.method
_raman_prediction.active_bands
_raman_prediction.mode_count
1 DFT '3A1g + 8Eg + 14 T1g' 25
loop_
_raman_measurement_device_calibration.id
_raman_measurement_device_calibration.standard
1 Silicon_wafer
2 Diamond
loop_
_raman_spectrum.raman_shift
_raman_spectrum.intensity
10.3909 57
11.7473 56
13.1011 54
14.4548 53
15.8083 48
17.164 60
18.5171 57
19.87 41
21.2228 43
22.5753 46
23.9277 43
25.2822 45
26.6342 48
27.986 57
29.3353 46
30.6867 46
32.038 37
33.389 38
34.7399 40
36.0906 42
37.4388 42
38.7891 55
40.1392 48
41.4868 46
42.8366 39
44.1861 40
45.5332 46
46.8824 48
48.229 43
49.5756 44
50.9242 50
52.2703 46
53.6162 46
54.9643 40
56.3099 45
57.6553 44
59.0005 39
60.3478 46
61.6926 48
63.0372 45
64.3817 40
65.7259 42
67.07 44
68.4139 46
69.7553 49
71.0988 44
72.4422 46
73.7853 47
75.1283 43
76.4688 43
77.8113 56
79.1537 43
80.4937 47
81.8357 45
83.1752 45
84.5169 52
85.8561 49
87.1974 43
88.5362 45
89.8771 45
91.2156 46
92.5538 50
93.8919 53
95.2321 46
96.5698 53
97.9073 39
99.2446 44
100.582 42
101.919 44
103.255 42
104.592 42
105.928 43
107.265 45
108.601 57
109.937 49
111.27 44
112.605 47
113.941 53
115.276 46
116.609 46
117.943 56
119.276 49
120.61 53
121.944 50
123.276 52
124.607 50
125.941 45
127.272 50
128.606 51
129.936 50
131.267 57
132.597 51
133.93 52
135.26 55
136.59 51
137.92 57
139.249 51
140.579 54
141.908 53
143.237 51
144.566 60
145.894 54
147.223 52
148.549 60
149.877 80
151.204 126
152.532 139
153.857 101
155.185 74
156.512 69
157.837 60
159.163 65
160.488 59
161.814 64
163.138 67
164.464 72
165.788 73
167.111 80
168.435 93
169.76 114
171.083 155
172.405 253
173.728 343
175.05 324
176.372 233
177.694 140
179.016 96
180.338 79
181.659 73
182.981 58
184.302 61
185.622 60
186.943 52
188.261 57
189.582 51
190.902 57
192.22 51
193.539 48
194.859 51
196.176 54
197.496 59
198.812 56
200.131 64
201.448 62
202.764 59
204.082 54
205.398 51
206.714 52
208.03 51
209.347 52
210.662 54
211.977 59
213.292 60
214.607 48
215.921 58
217.236 55
218.55 59
219.864 62
221.175 65
222.489 60
223.802 60
225.115 64
226.426 58
227.739 61
229.052 67
230.362 65
231.674 65
232.984 64
234.296 66
235.606 70
236.915 73
238.227 75
239.535 77
240.844 96
242.155 110
243.464 175
244.772 311
246.08 544
247.388 476
248.696 306
250.003 179
251.311 132
252.618 124
253.925 124
255.232 126
256.539 147
257.845 152
259.151 186
260.455 249
261.761 321
263.067 435
264.37 542
265.676 600
266.979 527
268.284 408
269.587 312
270.891 231
272.194 171
273.498 150
274.8 126
276.102 110
277.403 92
278.707 96
280.008 81
281.309 88
282.61 91
283.911 78
285.211 80
286.512 73
287.812 69
289.112 66
290.412 71
291.711 69
293.011 62
294.31 69
295.607 71
296.906 63
298.205 72
299.501 67
300.8 62
302.098 72
303.394 69
304.692 64
305.987 68
307.285 71
308.58 74
309.875 72
311.172 72
312.466 72
313.761 79
315.055 75
316.351 96
317.645 91
318.939 109
320.233 124
321.526 149
322.819 193
324.112 259
325.405 333
326.698 389
327.988 362
329.28 333
330.572 246
331.864 195
333.154 166
334.446 153
335.737 123
337.026 121
338.317 110
339.606 105
340.897 95
342.185 95
343.476 90
344.764 87
346.051 88
347.339 77
348.629 80
349.916 84
351.203 79
352.49 88
353.777 83
355.064 86
356.35 86
357.636 96
358.922 103
360.208 94
361.494 104
362.78 104
364.065 120
365.348 125
366.633 141
367.918 137
369.201 159
370.485 209
371.767 268
373.052 347
374.333 454
375.617 616
376.899 952
378.182 1321
379.463 1444
380.744 1261
382.025 850
383.308 566
384.588 392
385.868 297
387.149 219
388.428 181
389.708 147
390.988 128
392.267 118
393.546 107
394.825 115
396.104 95
397.381 96
398.659 95
399.938 103
401.216 100
402.492 101
403.77 101
405.045 104
406.323 116
407.598 126
408.875 124
410.15 124
411.426 161
412.701 174
413.975 186
415.251 221
416.525 268
417.799 304
419.073 375
420.346 449
421.619 610
422.893 842
424.165 1108
425.438 1396
426.711 1457
427.983 1302
429.255 1053
430.527 733
431.799 584
433.069 438
434.34 345
435.612 295
436.881 258
438.152 216
439.42 201
440.691 187
441.959 152
443.23 155
444.498 138
445.768 140
447.035 127
448.303 115
449.572 120
450.84 111
452.107 111
453.373 100
454.64 109
455.906 99
457.173 91
458.439 96
459.705 89
460.971 91
462.236 92
463.502 84
464.767 77
466.03 79
467.295 77
468.56 81
469.822 70
471.086 69
472.351 74
473.613 83
474.877 79
476.138 71
477.4 80
478.663 66
479.924 71
481.185 64
482.448 64
483.708 65
484.969 60
486.229 59
487.489 57
488.749 63
490.009 62
491.268 64
492.528 62
493.787 61
495.046 65
496.305 70
497.564 68
498.82 60
500.078 62
501.336 60
502.592 66
503.85 64
505.106 59
506.363 62
507.618 66
508.876 66
510.131 63
511.387 68
512.642 68
513.896 67
515.151 70
516.405 62
517.661 58
518.914 71
520.168 70
521.421 77
522.674 70
523.927 66
525.18 70
526.433 69
527.683 66
528.936 59
530.188 67
531.44 64
532.69 63
533.941 61
535.193 69
536.442 60
537.693 59
538.942 59
540.193 61
541.442 61
542.69 59
543.94 60
545.188 56
546.436 61
547.686 55
548.934 63
550.181 60
551.428 63
552.675 57
553.922 63
555.169 58
556.416 59
557.662 63
558.908 56
560.154 58
561.398 59
562.644 58
563.889 57
565.135 57
566.378 62
567.623 63
568.866 55
570.11 59
571.353 64
572.597 64
573.839 57
575.083 61
576.325 58
577.567 58
578.81 53
580.052 56
581.293 48
582.534 56
583.774 55
585.015 54
586.255 55
587.496 58
588.736 56
589.976 57
591.216 54
592.455 57
593.693 62
594.932 51
596.171 57
597.41 48
598.647 54
599.885 55
601.122 55
602.36 53
603.596 60
604.834 51
606.07 59
607.305 57
608.543 54
609.778 49
611.013 58
612.248 56
613.485 51
614.719 55
615.954 46
617.188 54
618.422 61
619.656 53
620.889 54
622.121 52
623.354 51
624.588 48
625.821 48
627.051 49
628.284 47
629.517 55
630.747 54
631.979 54
633.209 53
634.441 53
635.671 54
636.9 51
638.132 58
639.361 50
640.59 58
641.819 52
643.05 55
644.278 53
645.507 53
646.735 55
647.963 58
649.191 44
650.418 53
651.646 47
652.873 47
654.098 54
655.325 52
656.552 49
657.779 54
659.003 49
660.23 53
661.454 47
662.68 49
663.904 52
665.13 55
666.353 50
667.579 50
668.802 52