#------------------------------------------------------------------------------
#$Date: 2018-01-05 14:55:17 +0200 (Fri, 05 Jan 2018) $
#$Revision: 361 $
#$URL: svn://172.16.1.111/rod/cif/1/00/00/1000003.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_1000003
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 Y(ZX)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            YE0007.rod
_rod_data_source.block           7200002
_rod_database.code               1000003
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 30
11.7473 32
13.1011 32
14.4548 30
15.8083 32
17.164 33
18.5171 26
19.87 26
21.2228 29
22.5753 23
23.9277 27
25.2822 25
26.6342 32
27.986 33
29.3353 34
30.6867 30
32.038 31
33.389 26
34.7399 30
36.0906 26
37.4388 30
38.7891 29
40.1392 27
41.4868 28
42.8366 30
44.1861 28
45.5332 31
46.8824 28
48.229 25
49.5756 26
50.9242 32
52.2703 28
53.6162 33
54.9643 30
56.3099 29
57.6553 29
59.0005 28
60.3478 30
61.6926 35
63.0372 33
64.3817 31
65.7259 28
67.07 26
68.4139 29
69.7553 30
71.0988 29
72.4422 30
73.7853 28
75.1283 33
76.4688 32
77.8113 30
79.1537 32
80.4937 28
81.8357 30
83.1752 31
84.5169 32
85.8561 34
87.1974 25
88.5362 30
89.8771 25
91.2156 30
92.5538 33
93.8919 36
95.2321 27
96.5698 32
97.9073 27
99.2446 27
100.582 30
101.919 28
103.255 29
104.592 27
105.928 30
107.265 27
108.601 30
109.937 36
111.27 29
112.605 31
113.941 31
115.276 32
116.609 33
117.943 30
119.276 29
120.61 29
121.944 30
123.276 28
124.607 26
125.941 33
127.272 29
128.606 32
129.936 23
131.267 27
132.597 27
133.93 34
135.26 31
136.59 32
137.92 29
139.249 32
140.579 36
141.908 33
143.237 31
144.566 33
145.894 35
147.223 39
148.549 36
149.877 37
151.204 42
152.532 57
153.857 92
155.185 111
156.512 74
157.837 48
159.163 38
160.488 36
161.814 36
163.138 35
164.464 30
165.788 31
167.111 36
168.435 32
169.76 31
171.083 36
172.405 44
173.728 46
175.05 42
176.372 42
177.694 37
179.016 34
180.338 31
181.659 34
182.981 34
184.302 33
185.622 36
186.943 35
188.261 39
189.582 39
190.902 37
192.22 42
193.539 45
194.859 47
196.176 62
197.496 97
198.812 148
200.131 144
201.448 99
202.764 66
204.082 63
205.398 45
206.714 49
208.03 38
209.347 43
210.662 39
211.977 39
213.292 34
214.607 40
215.921 37
217.236 34
218.55 32
219.864 38
221.175 32
222.489 39
223.802 32
225.115 32
226.426 33
227.739 31
229.052 32
230.362 32
231.674 30
232.984 32
234.296 33
235.606 33
236.915 35
238.227 29
239.535 36
240.844 34
242.155 37
243.464 38
244.772 38
246.08 40
247.388 46
248.696 38
250.003 40
251.311 39
252.618 41
253.925 43
255.232 49
256.539 57
257.845 57
259.151 70
260.455 83
261.761 105
263.067 137
264.37 164
265.676 172
266.979 173
268.284 142
269.587 102
270.891 82
272.194 69
273.498 61
274.8 52
276.102 50
277.403 43
278.707 50
280.008 42
281.309 43
282.61 39
283.911 43
285.211 47
286.512 47
287.812 50
289.112 53
290.412 45
291.711 57
293.011 57
294.31 51
295.607 56
296.906 59
298.205 62
299.501 63
300.8 62
302.098 59
303.394 54
304.692 52
305.987 58
307.285 55
308.58 50
309.875 54
311.172 52
312.466 58
313.761 65
315.055 69
316.351 75
317.645 85
318.939 99
320.233 129
321.526 177
322.819 227
324.112 330
325.405 431
326.698 447
327.988 398
329.28 293
330.572 223
331.864 172
333.154 135
334.446 112
335.737 90
337.026 96
338.317 85
339.606 73
340.897 70
342.185 72
343.476 61
344.764 54
346.051 56
347.339 47
348.629 55
349.916 53
351.203 53
352.49 48
353.777 48
355.064 51
356.35 59
357.636 58
358.922 58
360.208 58
361.494 57
362.78 59
364.065 66
365.348 71
366.633 96
367.918 123
369.201 144
370.485 202
371.767 242
373.052 269
374.333 236
375.617 215
376.899 181
378.182 161
379.463 132
380.744 115
382.025 95
383.308 67
384.588 66
385.868 58
387.149 58
388.428 48
389.708 44
390.988 44
392.267 43
393.546 46
394.825 36
396.104 45
397.381 41
398.659 41
399.938 48
401.216 43
402.492 45
403.77 43
405.045 42
406.323 44
407.598 42
408.875 44
410.15 41
411.426 49
412.701 42
413.975 48
415.251 51
416.525 55
417.799 51
419.073 55
420.346 63
421.619 69
422.893 73
424.165 77
425.438 96
426.711 93
427.983 94
429.255 85
430.527 87
431.799 90
433.069 93
434.34 99
435.612 104
436.881 114
438.152 123
439.42 140
440.691 138
441.959 152
443.23 158
444.498 160
445.768 171
447.035 177
448.303 166
449.572 153
450.84 145
452.107 131
453.373 133
454.64 112
455.906 103
457.173 105
458.439 92
459.705 79
460.971 78
462.236 69
463.502 67
464.767 77
466.03 64
467.295 56
468.56 48
469.822 51
471.086 54
472.351 48
473.613 45
474.877 47
476.138 48
477.4 48
478.663 45
479.924 44
481.185 40
482.448 39
483.708 41
484.969 33
486.229 34
487.489 35
488.749 35
490.009 37
491.268 35
492.528 38
493.787 35
495.046 34
496.305 38
497.564 34
498.82 38
500.078 36
501.336 34
502.592 32
503.85 37
505.106 32
506.363 39
507.618 36
508.876 34
510.131 38
511.387 33
512.642 40
513.896 34
515.151 31
516.405 26
517.661 31
518.914 35
520.168 37
521.421 35
522.674 30
523.927 31
525.18 35
526.433 32
527.683 33
528.936 36
530.188 33
531.44 38
532.69 37
533.941 37
535.193 38
536.442 35
537.693 33
538.942 35
540.193 32
541.442 35
542.69 35
543.94 36
545.188 36
546.436 33
547.686 37
548.934 35
550.181 36
551.428 32
552.675 34
553.922 34
555.169 37
556.416 35
557.662 36
558.908 33
560.154 37
561.398 39
562.644 35
563.889 34
565.135 34
566.378 34
567.623 32
568.866 32
570.11 34
571.353 37
572.597 37
573.839 38
575.083 35
576.325 30
577.567 34
578.81 30
580.052 31
581.293 31
582.534 30
583.774 34
585.015 33
586.255 36
587.496 29
588.736 29
589.976 37
591.216 34
592.455 36
593.693 29
594.932 30
596.171 29
597.41 35
598.647 32
599.885 27
601.122 30
602.36 34
603.596 33
604.834 32
606.07 31
607.305 28
608.543 32
609.778 32
611.013 32
612.248 35
613.485 31
614.719 30
615.954 31
617.188 35
618.422 29
619.656 30
620.889 32
622.121 30
623.354 31
624.588 31
625.821 32
627.051 30
628.284 35
629.517 28
630.747 31
631.979 35
633.209 33
634.441 31
635.671 32
636.9 33
638.132 32
639.361 34
640.59 30
641.819 31
643.05 31
644.278 32
645.507 31
646.735 33
647.963 33
649.191 31
650.418 30
651.646 34
652.873 31
654.098 29
655.325 32
656.552 31
657.779 31
659.003 36
660.23 32
661.454 30
662.68 35
663.904 33
665.13 30
666.353 33
667.579 32
668.802 31