#\#CIF_2.0
#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000002.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_1000002
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'
_cod_original_formula_sum        'Li Y F4'
_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 Y(ZZ)Y
_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            YE0006.rod
_rod_data_source.block           7200002
_rod_database.code               1000002
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 67
11.7473 63
13.1011 64
14.4548 55
15.8083 57
17.164 64
18.5171 58
19.87 42
21.2228 44
22.5753 41
23.9277 41
25.2822 38
26.6342 58
27.986 49
29.3353 41
30.6867 43
32.038 37
33.389 37
34.7399 38
36.0906 38
37.4388 37
38.7891 45
40.1392 42
41.4868 40
42.8366 39
44.1861 38
45.5332 45
46.8824 37
48.229 35
49.5756 43
50.9242 41
52.2703 38
53.6162 41
54.9643 38
56.3099 40
57.6553 34
59.0005 37
60.3478 38
61.6926 49
63.0372 46
64.3817 39
65.7259 37
67.07 42
68.4139 40
69.7553 42
71.0988 34
72.4422 40
73.7853 42
75.1283 44
76.4688 44
77.8113 48
79.1537 41
80.4937 39
81.8357 44
83.1752 48
84.5169 46
85.8561 45
87.1974 42
88.5362 43
89.8771 39
91.2156 39
92.5538 45
93.8919 46
95.2321 46
96.5698 45
97.9073 43
99.2446 45
100.582 42
101.919 48
103.255 37
104.592 39
105.928 38
107.265 43
108.601 53
109.937 41
111.27 43
112.605 40
113.941 40
115.276 48
116.609 46
117.943 46
119.276 44
120.61 40
121.944 41
123.276 39
124.607 46
125.941 43
127.272 44
128.606 46
129.936 39
131.267 42
132.597 42
133.93 46
135.26 44
136.59 41
137.92 39
139.249 48
140.579 49
141.908 48
143.237 47
144.566 47
145.894 46
147.223 54
148.549 51
149.877 48
151.204 43
152.532 59
153.857 56
155.185 59
156.512 48
157.837 45
159.163 46
160.488 55
161.814 49
163.138 43
164.464 46
165.788 47
167.111 43
168.435 55
169.76 54
171.083 45
172.405 52
173.728 57
175.05 56
176.372 56
177.694 53
179.016 53
180.338 56
181.659 51
182.981 52
184.302 53
185.622 62
186.943 54
188.261 65
189.582 54
190.902 54
192.22 52
193.539 59
194.859 55
196.176 61
197.496 78
198.812 67
200.131 72
201.448 65
202.764 64
204.082 62
205.398 64
206.714 60
208.03 62
209.347 63
210.662 62
211.977 70
213.292 76
214.607 71
215.921 80
217.236 71
218.55 78
219.864 70
221.175 74
222.489 77
223.802 82
225.115 84
226.426 68
227.739 73
229.052 84
230.362 82
231.674 86
232.984 89
234.296 101
235.606 94
236.915 103
238.227 105
239.535 109
240.844 126
242.155 133
243.464 156
244.772 166
246.08 182
247.388 198
248.696 214
250.003 253
251.311 292
252.618 332
253.925 415
255.232 479
256.539 591
257.845 780
259.151 1089
260.455 1474
261.761 2096
263.067 2946
264.37 3838
265.676 4227
266.979 3766
268.284 2990
269.587 2076
270.891 1462
272.194 1060
273.498 774
274.8 550
276.102 471
277.403 359
278.707 297
280.008 256
281.309 215
282.61 210
283.911 169
285.211 169
286.512 153
287.812 136
289.112 140
290.412 136
291.711 136
293.011 135
294.31 130
295.607 144
296.906 142
298.205 139
299.501 129
300.8 133
302.098 106
303.394 98
304.692 86
305.987 88
307.285 88
308.58 70
309.875 73
311.172 73
312.466 66
313.761 65
315.055 75
316.351 73
317.645 72
318.939 67
320.233 78
321.526 80
322.819 92
324.112 111
325.405 130
326.698 135
327.988 122
329.28 109
330.572 99
331.864 88
333.154 92
334.446 88
335.737 89
337.026 73
338.317 79
339.606 75
340.897 67
342.185 71
343.476 62
344.764 67
346.051 60
347.339 57
348.629 62
349.916 60
351.203 63
352.49 52
353.777 55
355.064 51
356.35 59
357.636 52
358.922 55
360.208 55
361.494 61
362.78 59
364.065 60
365.348 59
366.633 64
367.918 61
369.201 74
370.485 75
371.767 80
373.052 91
374.333 83
375.617 85
376.899 68
378.182 74
379.463 68
380.744 61
382.025 59
383.308 53
384.588 54
385.868 49
387.149 51
388.428 59
389.708 49
390.988 53
392.267 54
393.546 53
394.825 52
396.104 53
397.381 49
398.659 49
399.938 49
401.216 53
402.492 52
403.77 54
405.045 58
406.323 56
407.598 52
408.875 54
410.15 56
411.426 61
412.701 60
413.975 64
415.251 69
416.525 76
417.799 88
419.073 100
420.346 108
421.619 135
422.893 166
424.165 211
425.438 269
426.711 270
427.983 250
429.255 217
430.527 170
431.799 137
433.069 125
434.34 99
435.612 100
436.881 86
438.152 93
439.42 84
440.691 78
441.959 78
443.23 89
444.498 70
445.768 81
447.035 81
448.303 69
449.572 75
450.84 72
452.107 67
453.373 74
454.64 65
455.906 61
457.173 60
458.439 59
459.705 53
460.971 59
462.236 57
463.502 58
464.767 52
466.03 54
467.295 53
468.56 56
469.822 53
471.086 45
472.351 50
473.613 50
474.877 50
476.138 48
477.4 52
478.663 48
479.924 49
481.185 49
482.448 49
483.708 52
484.969 42
486.229 42
487.489 34
488.749 50
490.009 49
491.268 48
492.528 47
493.787 43
495.046 48
496.305 51
497.564 55
498.82 49
500.078 53
501.336 50
502.592 47
503.85 50
505.106 54
506.363 48
507.618 52
508.876 48
510.131 43
511.387 51
512.642 45
513.896 48
515.151 44
516.405 49
517.661 43
518.914 43
520.168 53
521.421 49
522.674 48
523.927 49
525.18 48
526.433 46
527.683 52
528.936 45
530.188 45
531.44 51
532.69 52
533.941 49
535.193 48
536.442 45
537.693 48
538.942 46
540.193 53
541.442 50
542.69 46
543.94 51
545.188 46
546.436 49
547.686 48
548.934 51
550.181 52
551.428 49
552.675 53
553.922 57
555.169 54
556.416 47
557.662 53
558.908 50
560.154 51
561.398 51
562.644 50
563.889 51
565.135 51
566.378 50
567.623 58
568.866 42
570.11 50
571.353 49
572.597 53
573.839 53
575.083 47
576.325 56
577.567 51
578.81 45
580.052 42
581.293 48
582.534 47
583.774 48
585.015 50
586.255 52
587.496 52
588.736 47
589.976 47
591.216 48
592.455 49
593.693 48
594.932 51
596.171 48
597.41 45
598.647 50
599.885 48
601.122 47
602.36 42
603.596 50
604.834 48
606.07 46
607.305 48
608.543 55
609.778 45
611.013 48
612.248 44
613.485 48
614.719 53
615.954 52
617.188 50
618.422 50
619.656 46
620.889 45
622.121 49
623.354 45
624.588 46
625.821 42
627.051 52
628.284 46
629.517 45
630.747 42
631.979 52
633.209 47
634.441 48
635.671 49
636.9 54
638.132 48
639.361 51
640.59 38
641.819 46
643.05 49
644.278 43
645.507 49
646.735 47
647.963 50
649.191 47
650.418 46
651.646 52
652.873 41
654.098 49
655.325 55
656.552 43
657.779 41
659.003 48
660.23 47
661.454 45
662.68 41
663.904 52
665.13 43
666.353 49
667.579 49
668.802 46
